Estimating Effective Dose of Radiation From Pediatric Cardiac CT Angiography Using a 64-MDCT Scanner: New Conversion Factors Relating Dose-Length Product to Effective Dose.

PubMed

Trattner, Sigal; Chelliah, Anjali; Prinsen, Peter; Ruzal-Shapiro, Carrie B; Xu, Yanping; Jambawalikar, Sachin; Amurao, Maxwell; Einstein, Andrew J

2017-03-01

The purpose of this study is to determine the conversion factors that enable accurate estimation of the effective dose (ED) used for cardiac 64-MDCT angiography performed for children. Anthropomorphic phantoms representative of 1- and 10-year-old children, with 50 metal oxide semiconductor field-effect transistor dosimeters placed in organs, underwent scanning performed using a 64-MDCT scanner with different routine clinical cardiac scan modes and x-ray tube potentials. Organ doses were used to calculate the ED on the basis of weighting factors published in 1991 in International Commission on Radiological Protection (ICRP) publication 60 and in 2007 in ICRP publication 103. The EDs and the scanner-reported dose-length products were used to determine conversion factors for each scan mode. The effect of infant heart rate on the ED and the conversion factors was also assessed. The mean conversion factors calculated using the current definition of ED that appeared in ICRP publication 103 were as follows: 0.099 mSv · mGy -1 · cm -1 , for the 1-year-old phantom, and 0.049 mSv · mGy -1 · cm -1 , for the 10-year-old phantom. These conversion factors were a mean of 37% higher than the corresponding conversion factors calculated using the older definition of ED that appeared in ICRP publication 60. Varying the heart rate did not influence the ED or the conversion factors. Conversion factors determined using the definition of ED in ICRP publication 103 and cardiac, rather than chest, scan coverage suggest that the radiation doses that children receive from cardiac CT performed using a contemporary 64-MDCT scanner are higher than the radiation doses previously reported when older chest conversion factors were used. Additional up-to-date pediatric cardiac CT conversion factors are required for use with other contemporary CT scanners and patients of different age ranges.

D → Klv semileptonic decay using lattice QCD with HISQ at physical pion masses

NASA Astrophysics Data System (ADS)

Chakraborty, Bipasha; Davies, Christine; Koponen, Jonna; Lepage, G. Peter

2018-03-01

he quark flavor sector of the Standard Model is a fertile ground to look for new physics effects through a unitarity test of the Cabbibo-Kobayashi-Maskawa (CKM) matrix. We present a lattice QCD calculation of the scalar and the vector form factors (over a large q2 region including q2 = 0) associated with the D→ Klv semi-leptonic decay. This calculation will then allow us to determine the central CKM matrix element, Vcs in the Standard Model, by comparing the lattice QCD results for the form factors and the experimental decay rate. This form factor calculation has been performed on the Nf = 2 + 1 + 1 MILC HISQ ensembles with the physical light quark masses.

Short Physical Performance Battery for cardiovascular disease inpatients: implications for critical factors and sarcopenia.

PubMed

Yasuda, Tomohiro; Nakajima, Toshiaki; Sawaguchi, Tatsuya; Nozawa, Naohiro; Arakawa, Tomoe; Takahashi, Reiko; Mizushima, Yuta; Katayanagi, Satoshi; Matsumoto, Kazuhisa; Toyoda, Shigeru; Inoue, Teruo

2017-12-12

We examined the relationship between Short Physical Performance Battery (SPPB) and clinical and laboratory factors and the effect of sarcopenia and sarcopenic obesity (SO) on clinical and laboratory factors for cardiovascular disease (CVD) inpatients. CVD male (n = 318) and female (n = 172) inpatients were recruited. A stepwise multiple-regression analysis was performed to predict total SPPB scores and assess clinical and laboratory factors (physical characteristics, functional and morphological assessments, etc.). Each test outcome were compared among sarcopenia, SO and non-sarcopenic groups. To predict total SPPB scores, the predicted handgrip, Controlling Nutritional Status score, % body fat, anterior mid-thigh muscle thickness, standing height and systolic blood pressure were calculated for males and anterior mid-thigh MTH, BMI, knee extension and fat mass were calculated for females. There were no differences in blood pressure, total SPPB scores and functional assessments between sarcopenia and SO groups for CVD male and female inpatients. In conclusion, the physical performance of CVD inpatients can be predicted by nutritional, functional, clinical and anthropometric variables, regardless the gender and the presence of sarcopenia. Furthermore, the presence of sarcopenia has a negative effect on the clinical and laboratory factors, but there is a difference in impact between sarcopenia and SO regardless the gender.

On the impact of ICRU report 90 recommendations on kQ factors for high-energy photon beams.

PubMed

Mainegra-Hing, Ernesto; Muir, Bryan R

2018-06-03

To assess the impact of the ICRU report 90 recommendations on the beam-quality conversion factor, k Q , used for clinical reference dosimetry of megavoltage linac photon beams. The absorbed dose to water and the absorbed dose to the air in ionization chambers representative of those typically used for linac photon reference dosimetry are calculated at the reference depth in a water phantom using Monte Carlo simulations. Depth-dose calculations in water are also performed to investigate changes in beam quality specifiers. The calculations are performed in a cobalt-60 beam and MV photon beams with nominal energy between 6 MV and 25 MV using the EGSnrc simulation toolkit. Inputs to the calculations use stopping-power data for graphite and water from the original ICRU-37 report and the new proposed values from the recently published ICRU-90 report. Calculated k Q factors are compared using the two different recommendations for key dosimetry data and measured k Q factors. Less than about 0.1% effects from ICRU-90 recommendations on the beam quality specifiers, the photon component of the percentage depth-dose at 10 cm, %dd(10) x , and the tissue-phantom ratio at 20 cm and 10 cm, TPR1020, are observed. Although using different recommendations for key dosimetric data impact water-to-air stopping-power ratios and ion chamber perturbation corrections by up to 0.54% and 0.40%, respectively, we observe little difference (≤0.14%) in calculated k Q factors. This is contradictory to the predictions in ICRU-90 that suggest differences up to 0.5% in high-energy photon beams. A slightly better agreement with experimental values is obtained when using ICRU-90 recommendations. Users of the addendum to the TG-51 protocol for reference dosimetry of high-energy photon beams, which recommends Monte Carlo calculated k Q factors, can rest assured that the recommendations of ICRU report 90 on basic data have little impact on this central dosimetric parameter. © Her Majesty the Queen in Right of Canada 2018. Reproduced with the permission of the Minister of Science.

Development and Preliminary Performance of a Risk Factor Screen to Predict Posttraumatic Psychological Disorder After Trauma Exposure

PubMed Central

Carlson, Eve B.; Palmieri, Patrick A.; Spain, David A.

2017-01-01

Objective We examined data from a prospective study of risk factors that increase vulnerability or resilience, exacerbate distress, or foster recovery to determine whether risk factors accurately predict which individuals will later have high posttraumatic (PT) symptom levels and whether brief measures of risk factors also accurately predict later symptom elevations. Method Using data from 129 adults exposed to traumatic injury of self or a loved one, we conducted receiver operating characteristic (ROC) analyses of 14 risk factors assessed by full-length measures, determined optimal cutoff scores and calculated predictive performance for the nine that were most predictive. For five risk factors, we identified sets of items that accounted for 90% of variance in total scores and calculated predictive performance for sets of brief risk measures. Results A set of nine risk factors assessed by full measures identified 89% of those who later had elevated PT symptoms (sensitivity) and 78% of those who did not (specificity). A set of four brief risk factor measures assessed soon after injury identified 86% of those who later had elevated PT symptoms and 72% of those who did not. Conclusions Use of sets of brief risk factor measures shows promise of accurate prediction of PT psychological disorder and probable PTSD or depression. Replication of predictive accuracy is needed in a new and larger sample. PMID:28622811

SU-E-T-100: Designing a QA Tool for Enhance Dynamic Wedges Based On Dynalog Files

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

Yousuf, A; Hussain, A

2014-06-01

Purpose: A robust quality assurance (QA) program for computer controlled enhanced dynamic wedge (EDW) has been designed and tested. Calculations to perform such QA test is based upon the EDW dynamic log files generated during dose delivery. Methods: Varian record and verify system generates dynamic log (dynalog) files during dynamic dose delivery. The system generated dynalog files contain information such as date and time of treatment, energy, monitor units, wedge orientation, and type of treatment. It also contains the expected calculated segmented treatment tables (STT) and the actual delivered STT for the treatment delivery as a verification record. These filesmore » can be used to assess the integrity and precision of the treatment plan delivery. The plans were delivered with a 6 MV beam from a Varian linear accelerator. For available EDW angles (10°, 15°, 20°, 25°, 30°, 45°, and 60°) Varian STT values were used to manually calculate monitor units for each segment. It can also be used to calculate the EDW factors. Independent verification of fractional MUs per segment was performed against those generated from dynalog files. The EDW factors used to calculate MUs in TPS were dosimetrically verified in solid water phantom with semiflex chamber on central axis. Results: EDW factors were generated from the STT provided by Varian and verified against practical measurements. The measurements were in agreement of the order of 1 % to the calculated EDW data. Variation between the MUs per segment obtained from dynalog files and those manually calculated was found to be less than 2%. Conclusion: An efficient and easy tool to perform routine QA procedure of EDW is suggested. The method can be easily implemented in any institution without a need for expensive QA equipment. An error of the order of ≥2% can be easily detected.« less

A nonproprietary, nonsecret program for calculating Stirling cryocoolers

NASA Technical Reports Server (NTRS)

Martini, W. R.

1985-01-01

A design program for an integrated Stirling cycle cryocooler was written on an IBM-PC computer. The program is easy to use and shows the trends and itemizes the losses. The calculated results were compared with some measured performance values. The program predicts somewhat optimistic performance and needs to be calibrated more with experimental measurements. Adding a multiplier to the friction factor can bring the calculated rsults in line with the limited test results so far available. The program is offered as a good framework on which to build a truly useful design program for all types of cryocoolers.

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.

TU-F-CAMPUS-T-05: A Cloud-Based Monte Carlo Dose Calculation for Electron Cutout Factors

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

Mitchell, T; Bush, K

Purpose: For electron cutouts of smaller sizes, it is necessary to verify electron cutout factors due to perturbations in electron scattering. Often, this requires a physical measurement using a small ion chamber, diode, or film. The purpose of this study is to develop a fast Monte Carlo based dose calculation framework that requires only a smart phone photograph of the cutout and specification of the SSD and energy to determine the electron cutout factor, with the ultimate goal of making this cloud-based calculation widely available to the medical physics community. Methods: The algorithm uses a pattern recognition technique to identifymore » the corners of the cutout in the photograph as shown in Figure 1. It then corrects for variations in perspective, scaling, and translation of the photograph introduced by the user’s positioning of the camera. Blob detection is used to identify the portions of the cutout which comprise the aperture and the portions which are cutout material. This information is then used define physical densities of the voxels used in the Monte Carlo dose calculation algorithm as shown in Figure 2, and select a particle source from a pre-computed library of phase-spaces scored above the cutout. The electron cutout factor is obtained by taking a ratio of the maximum dose delivered with the cutout in place to the dose delivered under calibration/reference conditions. Results: The algorithm has been shown to successfully identify all necessary features of the electron cutout to perform the calculation. Subsequent testing will be performed to compare the Monte Carlo results with a physical measurement. Conclusion: A simple, cloud-based method of calculating electron cutout factors could eliminate the need for physical measurements and substantially reduce the time required to properly assure accurate dose delivery.« less

Time-dependent spin-density-functional-theory description of He+-He collisions

NASA Astrophysics Data System (ADS)

Baxter, Matthew; Kirchner, Tom; Engel, Eberhard

2017-09-01

Theoretical total cross-section results for all ionization and capture processes in the He+-He collision system are presented in the approximate impact energy range of 10-1000 keV/amu. Calculations were performed within the framework of time-dependent spin-density functional theory. The Krieger-Li-Iafrate approximation was used to determine an accurate exchange-correlation potential in the exchange-only limit. The results of two models, one where electron translation factors in the orbitals used to calculate the potential are ignored and another where partial electron translation factors are included, are compared with available experimental data as well as a selection of previous theoretical calculations.

SU-E-T-59: Calculations of Collimator Scatter Factors (Sc) with and Without Custom-Made Build-Up Caps for CyberKnife

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

Wokoma, S; Yoon, J; Jung, J

2014-06-01

Purpose: To investigate the impact of custom-made build-up caps for a diode detector in robotic radiosurgery radiation fields with variable collimator (IRIS) for collimator scatter factor (Sc) calculation. Methods: An acrylic cap was custom-made to fit our SFD (IBA Dosimetry, Germany) diode detector. The cap has thickness of 5 cm, corresponding to a depth beyond electron contamination. IAEA phase space data was used for beam modeling and DOSRZnrc code was used to model the detector. The detector was positioned at 80 cm source-to-detector distance. Calculations were performed with the SFD, with and without the build-up cap, for clinical IRIS settingsmore » ranging from 7.5 to 60 mm. Results: The collimator scatter factors were calculated with and without 5 cm build-up cap. They were agreed within 3% difference except 15 mm cone. The Sc factor for 15 mm cone without buildup was 13.2% lower than that with buildup. Conclusion: Sc data is a critical component in advanced algorithms for treatment planning in order to calculate the dose accurately. After incorporating build-up cap, we discovered differences of up to 13.2 % in Sc factors in the SFD detector, when compared against in-air measurements without build-up caps.« less

Sao Paulo potential as a tool for calculating S factors of fusion reactions in dense stellar matter

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

Gasques, L. R.; Beard, M.; Wiescher, M.

2007-10-15

The goal of this paper is to test and justify the use of the Sao Paulo potential model for calculating astrophysical S factors for reactions involving stable and neutron-rich nuclei. In particular, we focus on the theoretical description of S factors at low energies. This is important for evaluating the reaction rates in dense stellar matter. We calculate the S factors for a number of reactions ({sup 16}O+{sup 16}O, {sup 20}O+{sup 20}O, {sup 20}O+{sup 26}Ne, {sup 20}O+{sup 32}Mg, {sup 26}Ne+{sup 26}Ne, {sup 26}Ne+{sup 32}Mg, {sup 32}Mg+{sup 32}Mg, {sup 22}O+{sup 22}O, {sup 24}O+{sup 24}O) with the Sao Paulo potential in themore » framework of a one-dimensional barrier penetration model. This approach can be easily applied for many other reactions involving different isotopes. To test the consistency of the model predictions, we compare our calculations with those performed within the coupled-channels and fermionic molecular dynamics models. Calculated S factors are parametrized by a simple analytic formula. The main properties and uncertainties of reaction rates (appropriate to dense matter in cores of massive white dwarfs and crusts of accreting neutron stars) are outlined.« less

Factors affecting volume calculation with single photon emission tomography (SPECT) method

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

Liu, T.H.; Lee, K.H.; Chen, D.C.P.

1985-05-01

Several factors may influence the calculation of absolute volumes (VL) from SPECT images. The effect of these factors must be established to optimize the technique. The authors investigated the following on the VL calculations: % of background (BG) subtraction, reconstruction filters, sample activity, angular sampling and edge detection methods. Transaxial images of a liver-trunk phantom filled with Tc-99m from 1 to 3 ..mu..Ci/cc were obtained in 64x64 matrix with a Siemens Rota Camera and MDS computer. Different reconstruction filters including Hanning 20,32, 64 and Butterworth 20, 32 were used. Angular samplings were performed in 3 and 6 degree increments. ROI'smore » were drawn manually and with an automatic edge detection program around the image after BG subtraction. VL's were calculated by multiplying the number of pixels within the ROI by the slice thickness and the x- and y- calibrations of each pixel. One or 2 pixel per slice thickness was applied in the calculation. An inverse correlation was found between the calculated VL and the % of BG subtraction (r=0.99 for 1,2,3 ..mu..Ci/cc activity). Based on the authors' linear regression analysis, the correct liver VL was measured with about 53% BG subtraction. The reconstruction filters, slice thickness and angular sampling had only minor effects on the calculated phantom volumes. Detection of the ROI automatically by the computer was not as accurate as the manual method. The authors conclude that the % of BG subtraction appears to be the most important factor affecting the VL calculation. With good quality control and appropriate reconstruction factors, correct VL calculations can be achieved with SPECT.« less

An Evaluation of the Texas Functional Living Scale's Latent Structure and Subscales.

PubMed

González, David Andrés; Soble, Jason R; Marceaux, Janice C; McCoy, Karin J M

2017-02-01

Performance-based functional assessment is a critical component of neuropsychological practice. The Texas Functional Living Scale (TFLS) has promise given its brevity, nationally representative norms, and co-norming with Wechsler scales. However, its subscale structure has not been evaluated. The purpose of this study was to evaluate the TFLS in a mixed clinical sample (n = 197). Reliability and convergent and discriminant validity coefficients were calculated with neurocognitive testing and collateral reports and factor analysis was performed. The Money and Calculation subscale had the best psychometric properties of the subscales. The evidence did not support solitary interpretation of the Time subscale. A three-factor latent structure emerged representing memory and semantic retrieval, performance and visual scanning, and financial calculation. This study added psychometric support for interpretation of the TFLS total score and some of its subscales. Study limitations included sample characteristics (e.g., gender ratio) and low power for collateral report analyses. Published by Oxford University Press 2016. This work is written by (a) US Government employee(s) and is in the public domain in the US.

Study on characteristics of the aperture-averaging factor of atmospheric scintillation in terrestrial optical wireless communication

NASA Astrophysics Data System (ADS)

Shen, Hong; Liu, Wen-xing; Zhou, Xue-yun; Zhou, Li-ling; Yu, Long-Kun

2018-02-01

In order to thoroughly understand the characteristics of the aperture-averaging effect of atmospheric scintillation in terrestrial optical wireless communication and provide references for engineering design and performance evaluation of the optics system employed in the atmosphere, we have theoretically deduced the generally analytic expression of the aperture-averaging factor of atmospheric scintillation, and numerically investigated characteristics of the apertureaveraging factor under different propagation conditions. The limitations of the current commonly used approximate calculation formula of aperture-averaging factor have been discussed, and the results showed that the current calculation formula is not applicable for the small receiving aperture under non-uniform turbulence link. Numerical calculation has showed that aperture-averaging factor of atmospheric scintillation presented an exponential decline model for the small receiving aperture under non-uniform turbulent link, and the general expression of the model was given. This model has certain guiding significance for evaluating the aperture-averaging effect in the terrestrial optical wireless communication.

Determination of efficiencies, loss mechanisms, and performance degradation factors in chopper controlled dc vehical motors. Section 1: Test program results and recommendations

NASA Technical Reports Server (NTRS)

Hamilton, H. B.; Strangas, E.

1980-01-01

The conventional series motor model is discussed as well as procedures for obtaining, by test, the parameters necessary for calculating performance and losses. The calculated results for operation from ripple free DC are compared with observed test results, indicating approximately 5% or less error. Experimental data indicating the influence of brush shift and chopper frequency are also presented. Both factors have a significant effect on the speed and torque relationships. The losses and loss mechanisms present in a DC series motor are examined and an attempt is made to evaluate the added losses due to harmonic currents and fluxes. Findings with respect to these losses is summarized.

COMPUTATIONS ON THE PERFORMANCE OF PARTICLE FILTERS AND ELECTRONIC AIR CLEANERS

EPA Science Inventory

The paper discusses computations on the performance of particle filters and electronic air cleaners (EACs). The collection efficiency of particle filters and ACs is calculable if certain factors can be assumed or calibrated. For fibrous particulate filters, measurement of colle...

Comparison of three methods for wind turbine capacity factor estimation.

PubMed

Ditkovich, Y; Kuperman, A

2014-01-01

Three approaches to calculating capacity factor of fixed speed wind turbines are reviewed and compared using a case study. The first "quasiexact" approach utilizes discrete wind raw data (in the histogram form) and manufacturer-provided turbine power curve (also in discrete form) to numerically calculate the capacity factor. On the other hand, the second "analytic" approach employs a continuous probability distribution function, fitted to the wind data as well as continuous turbine power curve, resulting from double polynomial fitting of manufacturer-provided power curve data. The latter approach, while being an approximation, can be solved analytically thus providing a valuable insight into aspects, affecting the capacity factor. Moreover, several other merits of wind turbine performance may be derived based on the analytical approach. The third "approximate" approach, valid in case of Rayleigh winds only, employs a nonlinear approximation of the capacity factor versus average wind speed curve, only requiring rated power and rotor diameter of the turbine. It is shown that the results obtained by employing the three approaches are very close, enforcing the validity of the analytically derived approximations, which may be used for wind turbine performance evaluation.

Gravitational form factors and decoupling in 2D

NASA Astrophysics Data System (ADS)

Ribeiro, Tiago G.; Shapiro, Ilya L.; Zanusso, Omar

2018-07-01

We calculate and analyse non-local gravitational form factors induced by quantum matter fields in curved two-dimensional space. The calculations are performed for scalars, spinors and massive vectors by means of the covariant heat kernel method up to the second order in the curvature and confirmed using Feynman diagrams. The analysis of the ultraviolet (UV) limit reveals a generalized "running" form of the Polyakov action for a nonminimal scalar field and the usual Polyakov action in the conformally invariant cases. In the infrared (IR) we establish the gravitational decoupling theorem, which can be seen directly from the form factors or from the physical beta function for fields of any spin.

Full core analysis of IRIS reactor by using MCNPX.

PubMed

Amin, E A; Bashter, I I; Hassan, Nabil M; Mustafa, S S

2016-07-01

This paper describes neutronic analysis for fresh fuelled IRIS (International Reactor Innovative and Secure) reactor by MCNPX code. The analysis included criticality calculations, radial power and axial power distribution, nuclear peaking factor and axial offset percent at the beginning of fuel cycle. The effective multiplication factor obtained by MCNPX code is compared with previous calculations by HELIOS/NESTLE, CASMO/SIMULATE, modified CORD-2 nodal calculations and SAS2H/KENO-V code systems. It is found that k-eff value obtained by MCNPX is closer to CORD-2 value. The radial and axial powers are compared with other published results carried out using SAS2H/KENO-V code. Moreover, the WIMS-D5 code is used for studying the effect of enriched boron in form of ZrB2 on the effective multiplication factor (K-eff) of the fuel pin. In this part of calculation, K-eff is calculated at different concentrations of Boron-10 in mg/cm at different stages of burnup of unit cell. The results of this part are compared with published results performed by HELIOS code. Copyright © 2016 Elsevier Ltd. All rights reserved.

Challenges of developing a cardiovascular risk calculator for patients with rheumatoid arthritis.

PubMed

Crowson, Cynthia S; Rollefstad, Silvia; Kitas, George D; van Riel, Piet L C M; Gabriel, Sherine E; Semb, Anne Grete

2017-01-01

Cardiovascular disease (CVD) risk calculators designed for use in the general population do not accurately predict the risk of CVD among patients with rheumatoid arthritis (RA), who are at increased risk of CVD. The process of developing risk prediction models involves numerous issues. Our goal was to develop a CVD risk calculator for patients with RA. Thirteen cohorts of patients with RA originating from 10 different countries (UK, Norway, Netherlands, USA, Sweden, Greece, South Africa, Spain, Canada and Mexico) were combined. CVD risk factors and RA characteristics at baseline, in addition to information on CVD outcomes were collected. Cox models were used to develop a CVD risk calculator, considering traditional CVD risk factors and RA characteristics. Model performance was assessed using measures of discrimination and calibration with 10-fold cross-validation. A total of 5638 RA patients without prior CVD were included (mean age: 55 [SD: 14] years, 76% female). During a mean follow-up of 5.8 years (30139 person years), 389 patients developed a CVD event. Event rates varied between cohorts, necessitating inclusion of high and low risk strata in the models. The multivariable analyses revealed 2 risk prediction models including either a disease activity score including a 28 joint count and erythrocyte sedimentation rate (DAS28ESR) or a health assessment questionnaire (HAQ) along with age, sex, presence of hypertension, current smoking and ratio of total cholesterol to high-density lipoprotein cholesterol. Unfortunately, performance of these models was similar to general population CVD risk calculators. Efforts to develop a specific CVD risk calculator for patients with RA yielded 2 potential models including RA disease characteristics, but neither demonstrated improved performance compared to risk calculators designed for use in the general population. Challenges encountered and lessons learned are discussed in detail.

Impact of nuclear data on sodium-cooled fast reactor calculations

NASA Astrophysics Data System (ADS)

Aures, Alexander; Bostelmann, Friederike; Zwermann, Winfried; Velkov, Kiril

2016-03-01

Neutron transport and depletion calculations are performed in combination with various nuclear data libraries in order to assess the impact of nuclear data on safety-relevant parameters of sodium-cooled fast reactors. These calculations are supplemented by systematic uncertainty analyses with respect to nuclear data. Analysed quantities are the multiplication factor and nuclide densities as a function of burn-up and the Doppler and Na-void reactivity coefficients at begin of cycle. While ENDF/B-VII.0 / -VII.1 yield rather consistent results, larger discrepancies are observed between the JEFF libraries. While the newest evaluation, JEFF-3.2, agrees with the ENDF/B-VII libraries, the JEFF-3.1.2 library yields significant larger multiplication factors.

Effect of strain on thermoelectric properties of SrTiO3: First-principles calculations

NASA Astrophysics Data System (ADS)

Zou, Daifeng; Liu, Yunya; Xie, Shuhong; Lin, Jianguo; Li, Jiangyu

2013-10-01

The electronic structures of strained SrTiO3 were investigated by using first-principles calculations, and the anisotropic thermoelectric properties of n-type SrTiO3 under biaxial strain were calculated on the base of the semi-classical Boltzmann transport theory. It was theoretically found that the in-plane and out-of-plane power factors of n-type SrTiO3 can be increased under compressive and tensile strains, respectively, and such dependence can be explained by the strain-induced redistribution of electrons. To further optimize the thermoelectric performance of n-type SrTiO3, the maximum power factors and the corresponding optimal n-type doping levels were evaluated.

Breakup of 8B on 58Ni at energies around the Coulomb barrier and the astrophysical S17(0) factor revisited

NASA Astrophysics Data System (ADS)

Morales-Rivera, J. C.; Belyaeva, T. L.; Amador-Valenzuela, P.; Aguilera, E. F.; Martinez-Quiroz, E.; Kolata, J. J.

2018-01-01

Calculations of breakup and direct proton transfer for the 8B+58Ni system at energies around the Coulomb barrier (EB,lab=22.95 MeV) were performed by the continuum-discretized coupled channels (CDCC) method and the coupled-reaction-channels (CRC) method, respectively. For the 7Be+58Ni interaction, we used a semimicroscopic optical model potential (OMP) that combines microscopic calculations of the mean-field double folding potential and a phenomenological construction of the dynamical polarization potential (DPP). The 7Be angular distribution at Elab=25.75 MeV from the 8B breakup on 58Ni was calculated and the spectroscopic factor for 8B → 7Be+p vertex, Sexpt = 1.10 ± 0.05, was deduced. The astrophysical S17(0) factor was calculated equal to 20.7 ±1.1 eV•b, being in good agreement with the previously reported values.

Using Neural Networks to Improve the Performance of Radiative Transfer Modeling Used for Geometry Dependent Surface Lambertian-Equivalent Reflectivity Calculations

NASA Technical Reports Server (NTRS)

Fasnacht, Zachary; Qin, Wenhan; Haffner, David P.; Loyola, Diego; Joiner, Joanna; Krotkov, Nickolay; Vasilkov, Alexander; Spurr, Robert

2017-01-01

Surface Lambertian-equivalent reflectivity (LER) is important for trace gas retrievals in the direct calculation of cloud fractions and indirect calculation of the air mass factor. Current trace gas retrievals use climatological surface LER's. Surface properties that impact the bidirectional reflectance distribution function (BRDF) as well as varying satellite viewing geometry can be important for retrieval of trace gases. Geometry Dependent LER (GLER) captures these effects with its calculation of sun normalized radiances (I/F) and can be used in current LER algorithms (Vasilkov et al. 2016). Pixel by pixel radiative transfer calculations are computationally expensive for large datasets. Modern satellite missions such as the Tropospheric Monitoring Instrument (TROPOMI) produce very large datasets as they take measurements at much higher spatial and spectral resolutions. Look up table (LUT) interpolation improves the speed of radiative transfer calculations but complexity increases for non-linear functions. Neural networks perform fast calculations and can accurately predict both non-linear and linear functions with little effort.

Δ(1232) axial charge and form factors from lattice QCD.

PubMed

Alexandrou, Constantia; Gregory, Eric B; Korzec, Tomasz; Koutsou, Giannis; Negele, John W; Sato, Toru; Tsapalis, Antonios

2011-09-30

We present the first calculation on the Δ axial vector and pseudoscalar form factors using lattice QCD. Two Goldberger-Treiman relations are derived and examined. A combined chiral fit is performed to the nucleon axial charge, N to Δ axial transition coupling constant and Δ axial charge.

Nuclear-polarization correction to the bound-electron g factor in heavy hydrogenlike ions.

PubMed

Nefiodov, A V; Plunien, G; Soff, G

2002-08-19

The influence of nuclear polarization on the bound-electron g factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear excitations. This determines the ultimate limit for tests of QED utilizing measurements of the bound-electron g factor in highly charged ions.

Single-diffractive production of dijets within the kt-factorization approach

NASA Astrophysics Data System (ADS)

Łuszczak, Marta; Maciuła, Rafał; Szczurek, Antoni; Babiarz, Izabela

2017-09-01

We discuss single-diffractive production of dijets. The cross section is calculated within the resolved Pomeron picture, for the first time in the kt-factorization approach, neglecting transverse momentum of the Pomeron. We use Kimber-Martin-Ryskin unintegrated parton (gluon, quark, antiquark) distributions in both the proton as well as in the Pomeron or subleading Reggeon. The unintegrated parton distributions are calculated based on conventional mmht2014nlo parton distribution functions in the proton and H1 Collaboration diffractive parton distribution functions used previously in the analysis of diffractive structure function and dijets at HERA. For comparison, we present results of calculations performed within the collinear-factorization approach. Our results remain those obtained in the next-to-leading-order approach. The calculation is (must be) supplemented by the so-called gap survival factor, which may, in general, depend on kinematical variables. We try to describe the existing data from Tevatron and make detailed predictions for possible LHC measurements. Several differential distributions are calculated. The E¯T, η ¯ and xp ¯ distributions are compared with the Tevatron data. A reasonable agreement is obtained for the first two distributions. The last one requires introducing a gap survival factor which depends on kinematical variables. We discuss how the phenomenological dependence on one kinematical variable may influence dependence on other variables such as E¯T and η ¯. Several distributions for the LHC are shown.

Application of Taguchi L32 orthogonal array design to optimize copper biosorption by using Spaghnum moss.

PubMed

Ozdemir, Utkan; Ozbay, Bilge; Ozbay, Ismail; Veli, Sevil

2014-09-01

In this work, Taguchi L32 experimental design was applied to optimize biosorption of Cu(2+) ions by an easily available biosorbent, Spaghnum moss. With this aim, batch biosorption tests were performed to achieve targeted experimental design with five factors (concentration, pH, biosorbent dosage, temperature and agitation time) at two different levels. Optimal experimental conditions were determined by calculated signal-to-noise ratios. "Higher is better" approach was followed to calculate signal-to-noise ratios as it was aimed to obtain high metal removal efficiencies. The impact ratios of factors were determined by the model. Within the study, Cu(2+) biosorption efficiencies were also predicted by using Taguchi method. Results of the model showed that experimental and predicted values were close to each other demonstrating the success of Taguchi approach. Furthermore, thermodynamic, isotherm and kinetic studies were performed to explain the biosorption mechanism. Calculated thermodynamic parameters were in good accordance with the results of Taguchi model. Copyright © 2014 Elsevier Inc. All rights reserved.

Detector-specific correction factors in radiosurgery beams and their impact on dose distribution calculations.

PubMed

García-Garduño, Olivia A; Rodríguez-Ávila, Manuel A; Lárraga-Gutiérrez, José M

2018-01-01

Silicon-diode-based detectors are commonly used for the dosimetry of small radiotherapy beams due to their relatively small volumes and high sensitivity to ionizing radiation. Nevertheless, silicon-diode-based detectors tend to over-respond in small fields because of their high density relative to water. For that reason, detector-specific beam correction factors ([Formula: see text]) have been recommended not only to correct the total scatter factors but also to correct the tissue maximum and off-axis ratios. However, the application of [Formula: see text] to in-depth and off-axis locations has not been studied. The goal of this work is to address the impact of the correction factors on the calculated dose distribution in static non-conventional photon beams (specifically, in stereotactic radiosurgery with circular collimators). To achieve this goal, the total scatter factors, tissue maximum, and off-axis ratios were measured with a stereotactic field diode for 4.0-, 10.0-, and 20.0-mm circular collimators. The irradiation was performed with a Novalis® linear accelerator using a 6-MV photon beam. The detector-specific correction factors were calculated and applied to the experimental dosimetry data for in-depth and off-axis locations. The corrected and uncorrected dosimetry data were used to commission a treatment planning system for radiosurgery planning. Various plans were calculated with simulated lesions using the uncorrected and corrected dosimetry. The resulting dose calculations were compared using the gamma index test with several criteria. The results of this work presented important conclusions for the use of detector-specific beam correction factors ([Formula: see text] in a treatment planning system. The use of [Formula: see text] for total scatter factors has an important impact on monitor unit calculation. On the contrary, the use of [Formula: see text] for tissue-maximum and off-axis ratios has not an important impact on the dose distribution calculation by the treatment planning system. This conclusion is only valid for the combination of treatment planning system, detector, and correction factors used in this work; however, this technique can be applied to other treatment planning systems, detectors, and correction factors.

DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs.

PubMed

Chodkiewicz, Michał L; Migacz, Szymon; Rudnicki, Witold; Makal, Anna; Kalinowski, Jarosław A; Moriarty, Nigel W; Grosse-Kunstleve, Ralf W; Afonine, Pavel V; Adams, Paul D; Dominiak, Paulina Maria

2018-02-01

It has been recently established that the accuracy of structural parameters from X-ray refinement of crystal structures can be improved by using a bank of aspherical pseudoatoms instead of the classical spherical model of atomic form factors. This comes, however, at the cost of increased complexity of the underlying calculations. In order to facilitate the adoption of this more advanced electron density model by the broader community of crystallographers, a new software implementation called DiSCaMB , 'densities in structural chemistry and molecular biology', has been developed. It addresses the challenge of providing for high performance on modern computing architectures. With parallelization options for both multi-core processors and graphics processing units (using CUDA), the library features calculation of X-ray scattering factors and their derivatives with respect to structural parameters, gives access to intermediate steps of the scattering factor calculations (thus allowing for experimentation with modifications of the underlying electron density model), and provides tools for basic structural crystallographic operations. Permissively (MIT) licensed, DiSCaMB is an open-source C++ library that can be embedded in both academic and commercial tools for X-ray structure refinement.

Technical Report for Calculations of Atmospheric Dispersion at Onsite Locations for Department of Energy Nuclear Facilities

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

Levin, Alan; Chaves, Chris

2015-04-04

The Department of Energy (DOE) has performed an evaluation of the technical bases for the default value for the atmospheric dispersion parameter χ/Q. This parameter appears in the calculation of radiological dose at the onsite receptor location (co-located worker at 100 meters) in safety analysis of DOE nuclear facilities. The results of the calculation are then used to determine whether safety significant engineered controls should be established to prevent and/or mitigate the event causing the release of hazardous material. An evaluation of methods for calculation of the dispersion of potential chemical releases for the purpose of estimating the chemical exposuremore » at the co-located worker location was also performed. DOE’s evaluation consisted of: (a) a review of the regulatory basis for the default χ/Q dispersion parameter; (b) an analysis of this parameter’s sensitivity to various factors that affect the dispersion of radioactive material; and (c) performance of additional independent calculations to assess the appropriate use of the default χ/Q value.« less

Correlative SEM SERS for quantitative analysis of dimer nanoparticles.

PubMed

Timmermans, F J; Lenferink, A T M; van Wolferen, H A G M; Otto, C

2016-11-14

A Raman microscope integrated with a scanning electron microscope was used to investigate plasmonic structures by correlative SEM-SERS analysis. The integrated Raman-SEM microscope combines high-resolution electron microscopy information with SERS signal enhancement from selected nanostructures with adsorbed Raman reporter molecules. Correlative analysis is performed for dimers of two gold nanospheres. Dimers were selected on the basis of SEM images from multi aggregate samples. The effect of the orientation of the dimer with respect to the polarization state of the laser light and the effect of the particle gap size on the Raman signal intensity is observed. Additionally, calculations are performed to simulate the electric near field enhancement. These simulations are based on the morphologies observed by electron microscopy. In this way the experiments are compared with the enhancement factor calculated with near field simulations and are subsequently used to quantify the SERS enhancement factor. Large differences between experimentally observed and calculated enhancement factors are regularly detected, a phenomenon caused by nanoscale differences between the real and 'simplified' simulated structures. Quantitative SERS experiments reveal the structure induced enhancement factor, ranging from ∼200 to ∼20 000, averaged over the full nanostructure surface. The results demonstrate correlative Raman-SEM microscopy for the quantitative analysis of plasmonic particles and structures, thus enabling a new analytical method in the field of SERS and plasmonics.

An Evaluation of Aircraft Emissions Inventory Methodology by Comparisons with Reported Airline Data

NASA Technical Reports Server (NTRS)

Daggett, D. L.; Sutkus, D. J.; DuBois, D. P.; Baughcum, S. L.

1999-01-01

This report provides results of work done to evaluate the calculation methodology used in generating aircraft emissions inventories. Results from the inventory calculation methodology are compared to actual fuel consumption data. Results are also presented that show the sensitivity of calculated emissions to aircraft payload factors. Comparisons of departures made, ground track miles flown and total fuel consumed by selected air carriers were made between U.S. Dept. of Transportation (DOT) Form 41 data reported for 1992 and results of simplified aircraft emissions inventory calculations. These comparisons provide an indication of the magnitude of error that may be present in aircraft emissions inventories. To determine some of the factors responsible for the errors quantified in the DOT Form 41 analysis, a comparative study of in-flight fuel flow data for a specific operator's 747-400 fleet was conducted. Fuel consumption differences between the studied aircraft and the inventory calculation results may be attributable to several factors. Among these are longer flight times, greater actual aircraft weight and performance deterioration effects for the in-service aircraft. Results of a parametric study on the variation in fuel use and NOx emissions as a function of aircraft payload for different aircraft types are also presented.

Approximate factorization for incompressible flow. Ph.D. Thesis; [Navier-Stokes equation

NASA Technical Reports Server (NTRS)

Bernard, R. S.

1981-01-01

For computational solution of the incompressible Navier-Stokes equations, the approximate factorization (AF) algorithm is used to solve the vectorized momentum equation in delta form based on the pressure calculated in the previous time step. The newly calculated velocities are substituted into the pressure equation (obtained from a linear combination of the continuity and momentum equation), which is then solved by means of line SOR. Computational results are presented for the NACA 66 sub 3 018 airfoil at Reynolds numbers of 1000 and 40,000 and attack angles of 0 and 6 degrees. Comparison with wind tunnel data for Re = 40,000 indicates good qualitative agreement between measured and calculated pressure distributions. Quantitative agreement is only fair, however, with the calculations somewhat displaced from the measurements. Furthermore, the computed velocity profiles are unrealistically thick around the airfoil, due to the excessive amount of artificial viscosity needed for stability. Based on the performance of the algorithm with regard to stability, it is concluded that AF/SOR is suitable for calculations at Reynolds numbers less than 10,000. Speedwise, the method is faster than point SOR by at least a factor of two.

Comparison of Three Methods for Wind Turbine Capacity Factor Estimation

PubMed Central

Ditkovich, Y.; Kuperman, A.

2014-01-01

Three approaches to calculating capacity factor of fixed speed wind turbines are reviewed and compared using a case study. The first “quasiexact” approach utilizes discrete wind raw data (in the histogram form) and manufacturer-provided turbine power curve (also in discrete form) to numerically calculate the capacity factor. On the other hand, the second “analytic” approach employs a continuous probability distribution function, fitted to the wind data as well as continuous turbine power curve, resulting from double polynomial fitting of manufacturer-provided power curve data. The latter approach, while being an approximation, can be solved analytically thus providing a valuable insight into aspects, affecting the capacity factor. Moreover, several other merits of wind turbine performance may be derived based on the analytical approach. The third “approximate” approach, valid in case of Rayleigh winds only, employs a nonlinear approximation of the capacity factor versus average wind speed curve, only requiring rated power and rotor diameter of the turbine. It is shown that the results obtained by employing the three approaches are very close, enforcing the validity of the analytically derived approximations, which may be used for wind turbine performance evaluation. PMID:24587755

Performance enhancement of linear stirling cryocoolers

NASA Astrophysics Data System (ADS)

Korf, Herbert; Ruehlich, Ingo; Wiedmann, Th.

2000-12-01

Performance and reliability parameters of the AIM Stirling coolers have been presented in several previous publications. This paper focuses on recent developments at AIM for the COP improvement of cryocoolers in IR-detectors and systems applications. Improved COP of cryocoolers is a key for optimized form factors, weight and reliability. In addition, some systems are critical for minimum input power and consequently minimum electromagnetic interference or magnetic stray fields, heat sinking or minimum stress under high g-level, etc. Although performance parameters and loss mechanism are well understood and can be calculated precisely, several losses still had been excessive and needed to be minimized. The AIM program is based on the SADA I cryocooler, which now is optimized to carry 4.3 W net heat load at 77K. As this program will lead into applications on a space platform, in a next step AIM is introducing flexure bearings and in a final step, an advanced pulse tube cold head will be implemented. The performance of the SADA II cooler is also improved by using the same tools and methods than used for the performance increase of the SADA I cooler by a factor of two. The main features are summarized together with measured or calculated performance data.

Variational method for calculating the binding energy of the base state of an impurity D- centered on a quantum dot of GaAs-Ga1-xAlxAs

NASA Astrophysics Data System (ADS)

Durán-Flórez, F.; Caicedo, L. C.; Gonzalez, J. E.

2018-04-01

In quantum mechanics it is very difficult to obtain exact solutions, therefore, it is necessary to resort to tools and methods that facilitate the calculations of the solutions of these systems, one of these methods is the variational method that consists in proposing a wave function that depend on several parameters that are adjusted to get close to the exact solution. Authors in the past have performed calculations applying this method using exponential and Gaussian orbital functions with linear and quadratic correlation factors. In this paper, a Gaussian function with a linear correlation factor is proposed, for the calculation of the binding energy of an impurity D ‑ centered on a quantum dot of radius r, the Gaussian function is dependent on the radius of the quantum dot.

Exploring the performance of thin-film superconducting multilayers as kinetic inductance detectors for low-frequency detection

NASA Astrophysics Data System (ADS)

Zhao, Songyuan; Goldie, D. J.; Withington, S.; Thomas, C. N.

2018-01-01

We have solved numerically the diffusive Usadel equations that describe the spatially varying superconducting proximity effect in Ti-Al thin-film bi- and trilayers with thickness values that are suitable for kinetic inductance detectors (KIDs) to operate as photon detectors with detection thresholds in the frequency range of 50-90 GHz. Using Nam’s extension of the Mattis-Bardeen calculation of the superconductor complex conductivity, we show how to calculate the surface impedance for the spatially varying case, and hence the surface impedance quality factor. In addition, we calculate energy-and spatially-averaged quasiparticle lifetimes at temperatures well-below the transition temperature and compare to calculation in Al. Our results for the pair-breaking threshold demonstrate differences between bilayers and trilayers with the same total film thicknesses. We also predict high quality factors and long multilayer-averaged quasiparticle recombination times compared to thin-film Al. Our calculations give a route for designing KIDs to operate in this scientifically-important frequency regime.

Sns Moderator Poison Design and Experiment Validation of the Moderator Performance

NASA Astrophysics Data System (ADS)

Lu, W.; Iverson, E. B.; Ferguson, P. D.; Crabtree, J. A.; Gallmeier, F. X.; Remec, I.; Baxter, D. V.; Lavelle, C. M.

2009-08-01

The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory reached 180 kW in August 2007, becoming the brightest pulsed neutron source in the world. At its full power of 1.4 MW, SNS will have thermal neutron fluxes approximately an order of magnitude greater than any existing pulsed spallation source. It thus brings a serious challenge to the lifetime of the moderator poison sheets. The SNS moderators are integrated with the inner reflector plug (IRP) at a cost of $2 million a piece. A replacement of the IRP presents a significant drawback to the facility due to the activation and the operation cost. Although there are many factors limiting the lifetime of the IRP, such as radiation damage to the structural material and helium production in beryllium, the limiting factor is the lifetime of the moderator poison sheets. The current operating target system of SNS was built with thick Gd poison sheets at a projected lifetime of 3 years. A recent design based on the MCNPX calculation proposed to replace the Gd poison sheets with even thicker Cd poison sheets, aiming to extend the poison sheet lifetime from 3 to 4 years accompanied by an approximate 5% gain of the moderator performance. An experiment was carried out to verify the calculated moderator performance at the Low Energy Neutron Source (LENS), Indiana University, where the spectra of two polyethylene moderators were measured. The moderators are Cd-decoupled and are poisoned with 0.8 mm Gd and 1.2 mm Cd, respectively. The preliminary analysis of the experiment data shows that the characteristics of the measured spectra of the Gd- and Cd-poisoned moderators agree well with what the calculation predicted. A better moderator performance is observed in the Cd-poisoned moderator. The measured ratio of Cd over Gd on the moderator performance is in a reasonable agreement with the calculation. Further investigation is underway for a better understanding of the difference between the experiment and the calculation.

Automobile Stopping Distances.

ERIC Educational Resources Information Center

Logue, L. J.

1979-01-01

Discusses the effect of vehicle mass on stopping distances. Analyzes an example of a sample vehicle and tire, and calculates the braking acceleration showing the effect of different factors on the stopping performance of the tires. (GA)

Study of the AC machines winding having fractional q

NASA Astrophysics Data System (ADS)

Bespalov, V. Y.; Sidorov, A. O.

2018-02-01

The winding schemes with a fractional numbers of slots per pole and phase q have been known and used for a long time. However, in the literature on the low-noise machines design there are not recommended to use. Nevertheless, fractional q windings have been realized in many applications of special AC electrical machines, allowing to improve their performance, including vibroacoustic one. This paper deals with harmonic analysis of windings having integer and fractional q in permanent magnet synchronous motors, a comparison of their characteristics is performed, frequencies of subharmonics are revealed. Optimal winding pitch design is found giving reduce the amplitudes of subharmonics. Distribution factors for subharmonics, fractional and high-order harmonics are calculated, results analysis is represented, allowing for giving recommendations how to calculate distribution factors for different harmonics when q is fractional.

A g-factor puzzle for the N=38 nuclei:First measurement of the ^70Ge 41^+ magnetic moment.

NASA Astrophysics Data System (ADS)

Boutachkov, Plamen; Kumbartzki, G.; Benczer-Koller, N.; Robinson, S.; Escuderos, A.; Stefanova, E.; Sharon, Y.; Zamick, L.; McCutchan, E.; Werner, V.; Ai, H.; Gurdal, G.; Heinz, A.; Qian, J.; Williams, E.; Winkler, R.; Garnsworthy, A.; Thompson, N.; Maier-Komor, P.

2006-10-01

The transient field technique in inverse kinematics allows g-factor studies of short-lived states. This method gives information on both the sign and the magnitude of the g factor. In a recent experiment, the g factor of the 4^+1 state of ^6830Zn38 was measured to be -0.37(17) suggesting a significant neutron g9/2 contribution to the wave function[1]. However, shell model calculations in the 0f5/2,1p3/2,1p1/2,0g9/2 space [1] predict a positive, nearly zero g factor. To obtain more information on this region we measured the magnetic moment of the 4^+1 in ^7032Ge38. The measurement was performed at WNSL, Yale, using a 275 MeV ^70Ge beam and a multilayered C+Gd+Cu target. A positive g factor was obtained. The measured magnetic moment was compared to full fp shell model calculations which we performed with the code ANTOINE using several effective interactions. The results were in good agreement with the experiment. The experiment and the implications of the new results will be discussed.1. J. Leske et al., Phys. Rev C 72, 044301 (2005).

Computational Spectroscopy of Polycyclic Aromatic Hydrocarbons In Support of Laboratory Astrophysics

NASA Technical Reports Server (NTRS)

Tan, Xiaofeng; Salama, Farid

2006-01-01

Polycyclic aromatic hydrocarbons (PAHs) are strong candidates for the molecular carriers of the unidentified infrared bands (UIR) and the diffuse interstellar bands (DIBs). In order to test the PAH hypothesis, we have systematically measured the vibronic spectra of a number of jet-cooled neutral and ionized PAHs in the near ultraviolet (UV) to visible spectral ranges using the cavity ring-down spectroscopy. To support this experimental effort, we have carried out theoretical studies of the spectra obtained in our measurements. Ab initio and (time-dependent) density.functiona1 theory calculations are performed to obtain the geometries, energetics, vibrational frequencies, transition dipole moments, and normal coordinates of these PAH molecules. Franck-Condon (FC) calculations and/or vibronic calculations are then performed using the calculated normal coordinates and vibrational frequencies to simulate the vibronic spectra. It is found that vibronic interactions in these conjugated pi electron systems are often strong enough to cause significant deviations from the Born-Oppenheimer (BO) approximation. For vibronic transitions that are well described by the BO approximation, the vibronic band profiles are simulated by calculating the rotational structure of the vibronic transitions. Vibronic oscillator strength factors are calculated in the frame of the FC approximation from the electronic transition dipole moments and the FC factors. This computational effort together with our experimental measurements provides, for the first time, powerful tools for comparison with space-based data and, hence, a powerful approach to understand the spectroscopy of interstellar PAH analogs and the nature of the UIR and DIBs.

An enhanced performance through agent-based secure approach for mobile ad hoc networks

NASA Astrophysics Data System (ADS)

Bisen, Dhananjay; Sharma, Sanjeev

2018-01-01

This paper proposes an agent-based secure enhanced performance approach (AB-SEP) for mobile ad hoc network. In this approach, agent nodes are selected through optimal node reliability as a factor. This factor is calculated on the basis of node performance features such as degree difference, normalised distance value, energy level, mobility and optimal hello interval of node. After selection of agent nodes, a procedure of malicious behaviour detection is performed using fuzzy-based secure architecture (FBSA). To evaluate the performance of the proposed approach, comparative analysis is done with conventional schemes using performance parameters such as packet delivery ratio, throughput, total packet forwarding, network overhead, end-to-end delay and percentage of malicious detection.

NECAP 4.1: NASA's Energy-Cost Analysis Program input manual

NASA Technical Reports Server (NTRS)

Jensen, R. N.

1982-01-01

The computer program NECAP (NASA's Energy Cost Analysis Program) is described. The program is a versatile building design and energy analysis tool which has embodied within it state of the art techniques for performing thermal load calculations and energy use predictions. With the program, comparisons of building designs and operational alternatives for new or existing buildings can be made. The major feature of the program is the response factor technique for calculating the heat transfer through the building surfaces which accounts for the building's mass. The program expands the response factor technique into a space response factor to account for internal building temperature swings; this is extremely important in determining true building loads and energy consumption when internal temperatures are allowed to swing.

Thermoelectric power factor of La0.9M0.1FeO3 (M = Ca and Ba) system: Structural, band gap and electrical transport evaluations

NASA Astrophysics Data System (ADS)

Karthikeyan, N.; Kumar, R. Ramesh; Jaiganesh, G.; Sivakumar, K.

2018-01-01

The search for thermoelectric materials has been incredibly increased due to the increase in global energy demand. Hence the present work focus on preparation and characterization of thermal transport phenomena of pure and Ba/Ca substituted perovskite LaFeO3 orthoferrite system. The conventional solid state reaction technique is utilized for the preparation of LaFeO3 and La0.9M0.1FeO3 (M = Ca and Ba) compounds. Crystal structure analyses of the prepared samples are analyses using Rietveld refinement process which confirms the orthoferrite crystal structure of all the prepared compounds with induced distortion in position of atoms by the incorporation of substituent atoms. The electronic structure calculations are performed by VASP. As the LaFeO3 compound is a strongly energy correlated system, the Density Functional Theory (DFT) calculations are performed by DFT + U (Hubbard function) method. The computed band gap values are compared with the energy gap values calculated from UV-Vis spectral analysis. Electrical conductivity measurement and Arrhenius behavior for the temperature range of room temperature to 650 K are analyzed and the drift increase in conductivity with respect to temperature is due to the thermally activated mobility of charge carriers. Temperature dependent thermopower analysis is also examined using homemade seebeck coefficient measurement system. The calculation of thermoelectric power factor reveals that the Ba substituted LaFeO3 compound show highest power factor value of 3.73 μW/K2 cm at higher temperature and the superior power factor values observed in the Ba substituted compound determine the material's capability in power generating devices based on thermoelectric effect.

The change of radial power factor distribution due to RCCA insertion at the first cycle core of AP1000

NASA Astrophysics Data System (ADS)

Susilo, J.; Suparlina, L.; Deswandri; Sunaryo, G. R.

2018-02-01

The using of a computer program for the PWR type core neutronic design parameters analysis has been carried out in some previous studies. These studies included a computer code validation on the neutronic parameters data values resulted from measurements and benchmarking calculation. In this study, the AP1000 first cycle core radial power peaking factor validation and analysis were performed using CITATION module of the SRAC2006 computer code. The computer code has been also validated with a good result to the criticality values of VERA benchmark core. The AP1000 core power distribution calculation has been done in two-dimensional X-Y geometry through ¼ section modeling. The purpose of this research is to determine the accuracy of the SRAC2006 code, and also the safety performance of the AP1000 core first cycle operating. The core calculations were carried out with the several conditions, those are without Rod Cluster Control Assembly (RCCA), by insertion of a single RCCA (AO, M1, M2, MA, MB, MC, MD) and multiple insertion RCCA (MA + MB, MA + MB + MC, MA + MB + MC + MD, and MA + MB + MC + MD + M1). The maximum power factor of the fuel rods value in the fuel assembly assumedapproximately 1.406. The calculation results analysis showed that the 2-dimensional CITATION module of SRAC2006 code is accurate in AP1000 power distribution calculation without RCCA and with MA+MB RCCA insertion.The power peaking factor on the first operating cycle of the AP1000 core without RCCA, as well as with single and multiple RCCA are still below in the safety limit values (less then about 1.798). So in terms of thermal power generated by the fuel assembly, then it can be considered that the AP100 core at the first operating cycle is safe.

Comparison of emission factors for road traffic from a tunnel study (Gubrist tunnel, Switzerland) and from emission modeling

NASA Astrophysics Data System (ADS)

John, Christian; Friedrich, Rainer; Staehelin, Johannes; Schläpfer, Kurt; Stahel, Werner A.

The emission factors of NO x, VOC and CO of a road tunnel study performed in September 1993 in the Gubrist tunnel, close to Zürich (Switzerland) are compared with results of emission calculations based on recent results of dynamometric test measurements. The emission calculations are carried out with a traffic emission model taking into account the detailed composition of the vehicle fleet in the tunnel, the average speed and the gradient of the road and the special aerodynamics in a tunnel. With the exception of NO x emission factors for heavy duty vehicles no evidence for a discrepancy between the results of the tunnel study and the emission modeling was found. The measured emission factors of individual hydrocarbons of light duty vehicles were in good agreement with the expectations for most components.

Calculation of the Pitot tube correction factor for Newtonian and non-Newtonian fluids.

PubMed

Etemad, S Gh; Thibault, J; Hashemabadi, S H

2003-10-01

This paper presents the numerical investigation performed to calculate the correction factor for Pitot tubes. The purely viscous non-Newtonian fluids with the power-law model constitutive equation were considered. It was shown that the power-law index, the Reynolds number, and the distance between the impact and static tubes have a major influence on the Pitot tube correction factor. The problem was solved for a wide range of these parameters. It was shown that employing Bernoulli's equation could lead to large errors, which depend on the magnitude of the kinetic energy and energy friction loss terms. A neural network model was used to correlate the correction factor of a Pitot tube as a function of these three parameters. This correlation is valid for most Newtonian, pseudoplastic, and dilatant fluids at low Reynolds number.

A new approach to determining net impulse and identification of its characteristics in countermovement jumping: reliability and validity.

PubMed

Mizuguchi, Satoshi; Sands, William A; Wassinger, Craig A; Lamont, Hugh S; Stone, Michael H

2015-06-01

Examining a countermovement jump (CMJ) force-time curve related to net impulse might be useful in monitoring athletes' performance. This study aimed to investigate the reliability of alternative net impulse calculation and net impulse characteristics (height, width, rate of force development, shape factor, and proportion) and validate against the traditional calculation in the CMJ. Twelve participants performed the CMJ in two sessions (48 hours apart) for test-retest reliability. Twenty participants were involved for the validity assessment. Results indicated intra-class correlation coefficient (ICC) of ≥ 0.89 and coefficient of variation (CV) of ≤ 5.1% for all of the variables except for rate of force development (ICC = 0.78 and CV = 22.3%). The relationship between the criterion and alternative calculations was r = 1.00. While the difference between them was statistically significant (245.96 ± 63.83 vs. 247.14 ± 64.08 N s, p < 0.0001), the effect size was trivial and deemed practically minimal (d = 0.02). In conclusion, variability of rate of force development will pose a greater challenge in detecting performance changes. Also, the alternative calculation can be used practically in place of the traditional calculation to identify net impulse characteristics and monitor and study athletes' performance in greater depth.

Analysis on burnup step effect for evaluating reactor criticality and fuel breeding ratio

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

Saputra, Geby; Purnama, Aditya Rizki; Permana, Sidik

Criticality condition of the reactors is one of the important factors for evaluating reactor operation and nuclear fuel breeding ratio is another factor to show nuclear fuel sustainability. This study analyzes the effect of burnup steps and cycle operation step for evaluating the criticality condition of the reactor as well as the performance of nuclear fuel breeding or breeding ratio (BR). Burnup step is performed based on a day step analysis which is varied from 10 days up to 800 days and for cycle operation from 1 cycle up to 8 cycles reactor operations. In addition, calculation efficiency based onmore » the variation of computer processors to run the analysis in term of time (time efficiency in the calculation) have been also investigated. Optimization method for reactor design analysis which is used a large fast breeder reactor type as a reference case was performed by adopting an established reactor design code of JOINT-FR. The results show a criticality condition becomes higher for smaller burnup step (day) and for breeding ratio becomes less for smaller burnup step (day). Some nuclides contribute to make better criticality when smaller burnup step due to individul nuclide half-live. Calculation time for different burnup step shows a correlation with the time consuming requirement for more details step calculation, although the consuming time is not directly equivalent with the how many time the burnup time step is divided.« less

Calculations of rate constants for the three-body recombination of H2 in the presence of H2

NASA Technical Reports Server (NTRS)

Schwenke, David W.

1988-01-01

A new global potential energy hypersurface for H2 + H2 is constructed and quasiclassical trajectory calculations performed using the resonance complex theory and energy transfer mechanism to estimate the rate of three body recombination over the temperature range 100 to 5000 K. The new potential is a faithful representation of ab initio electron structure calculations, is unchanged under the operation of exchanging H atoms, and reproduces the accurate H3 potential as one H atom is pulled away. Included in the fitting procedure are geometries expected to be important when one H2 is near or above the dissociation limit. The dynamics calculations explicitly include the motion of all four atoms and are performed efficiently using a vectorized variable-stepsize integrator. The predicted rate constants are approximately a factor of two smaller than experimental estimates over a broad temperature range.

Computational NMR, IR/RAMAN calculations in sodium pravastatin: Investigation of the Self-Assembled Nanostructure of Pravastatin-LDH (Layered Double Hydroxides) Systems

NASA Astrophysics Data System (ADS)

Petersen, Philippe; Cunha, Vanessa; Gonçalves, Marcos; Petrilli, Helena; Constantino, Vera; Instituto de Física, Departamento de Física de Materiais e Mecânica Team; Instituto de Química, Departamento de Química Fundamental Team

2013-03-01

Layered double hydroxides (LDH) can be used as nanocontainers for immobilization of Pravastatin, in order to obtain suitable drug carriers. The material's structure and spectroscopic properties were analyzed by NMR, IR/RAMAN and supported by theoretical calculations. Density Functional Theory (DFT) calculations were performed using the Gaussian03 package. The geometry optimizations were performed considering the single crystal X-ray diffraction data of tert-octylamonium salt of Pravastatin. Tetramethylsilane (TMS), obtained with the same basis set, was used as reference for calculating the chemical shift of 13C. A scaling factor was used to compare theoretical and experimental harmonic vibrational frequencies. Through the NMR and IR/RAMAN spectra, we were able to make precise assignments of the NMR and IR/RAMAN of Sodium Pravastatin. We acknowledge support from CAPES, INEO and CNPQ.

Experimental and Theoretical Understanding of Neutron Capture on Uranium Isotopes

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

Ullmann, John Leonard

2017-09-21

Neutron capture cross sections on uranium isotopes are important quantities needed to model nuclear explosion performance, nuclear reactor design, nuclear test diagnostics, and nuclear forensics. It has been difficult to calculate capture accurately, and factors of 2 or more be- tween calculation and measurements are not uncommon, although normalization to measurements of the average capture width and nuclear level density can improve the result. The calculations of capture for 233,235,237,239U are further complicated by the need to accurately include the fission channel.

Electric and magnetic form factors of strange baryons

NASA Astrophysics Data System (ADS)

Van Cauteren, T.; Merten, D.; Corthals, T.; Janssen, S.; Metsch, B.; Petry, H.-R.; Ryckebusch, J.

. Predictions for the electromagnetic form factors of the Λ , Σ and Ξ hyperons are presented. The numerical calculations are performed within the framework of the fully relativistic constituent-quark model developed by the Bonn group. The computed magnetic moments compare favorably with the experimentally known values. Most magnetic form factors GM (Q2) can be parameterized in terms of a dipole with cutoff masses ranging from 0.79 to 1.14 GeV.

In vivo proton dosimetry using a MOSFET detector in an anthropomorphic phantom with tissue inhomogeneity.

PubMed

Kohno, Ryosuke; Hotta, Kenji; Matsubara, Kana; Nishioka, Shie; Matsuura, Taeko; Kawashima, Mitsuhiko

2012-03-08

When in vivo proton dosimetry is performed with a metal-oxide semiconductor field-effect transistor (MOSFET) detector, the response of the detector depends strongly on the linear energy transfer. The present study reports a practical method to correct the MOSFET response for linear energy transfer dependence by using a simplified Monte Carlo dose calculation method (SMC). A depth-output curve for a mono-energetic proton beam in polyethylene was measured with the MOSFET detector. This curve was used to calculate MOSFET output distributions with the SMC (SMC(MOSFET)). The SMC(MOSFET) output value at an arbitrary point was compared with the value obtained by the conventional SMC(PPIC), which calculates proton dose distributions by using the depth-dose curve determined by a parallel-plate ionization chamber (PPIC). The ratio of the two values was used to calculate the correction factor of the MOSFET response at an arbitrary point. The dose obtained by the MOSFET detector was determined from the product of the correction factor and the MOSFET raw dose. When in vivo proton dosimetry was performed with the MOSFET detector in an anthropomorphic phantom, the corrected MOSFET doses agreed with the SMC(PPIC) results within the measurement error. To our knowledge, this is the first report of successful in vivo proton dosimetry with a MOSFET detector.

Development of 1D Liner Compression Code for IDL

NASA Astrophysics Data System (ADS)

Shimazu, Akihisa; Slough, John; Pancotti, Anthony

2015-11-01

A 1D liner compression code is developed to model liner implosion dynamics in the Inductively Driven Liner Experiment (IDL) where FRC plasmoid is compressed via inductively-driven metal liners. The driver circuit, magnetic field, joule heating, and liner dynamics calculations are performed at each time step in sequence to couple these effects in the code. To obtain more realistic magnetic field results for a given drive coil geometry, 2D and 3D effects are incorporated into the 1D field calculation through use of correction factor table lookup approach. Commercial low-frequency electromagnetic fields solver, ANSYS Maxwell 3D, is used to solve the magnetic field profile for static liner condition at various liner radius in order to derive correction factors for the 1D field calculation in the code. The liner dynamics results from the code is verified to be in good agreement with the results from commercial explicit dynamics solver, ANSYS Explicit Dynamics, and previous liner experiment. The developed code is used to optimize the capacitor bank and driver coil design for better energy transfer and coupling. FRC gain calculations are also performed using the liner compression data from the code for the conceptual design of the reactor sized system for fusion energy gains.

Mechanical Anisotropic and Electronic Properties of Amm2-carbon under Pressure*

NASA Astrophysics Data System (ADS)

Xing, Meng-Jiang; Li, Xiao-Zhen; Yu, Shao-Jun; Wang, Fu-Yan

2017-09-01

Structural, electronic properties and mechanical anisotropy of Amm2-carbon are investigated utilizing frist-principles calculations by Cambridge Serial Total Energy Package (CASTEP) code. The work is performed with the generalized gradient approximation in the form of Perdew-Burke-Ernzerhof (PBE), PBEsol, Wu and Cohen (WC) and local density approximation in the form of Ceperley and Alder data as parameterized by Perdew and Zunger (CA-PZ). The mechanical anisotropy calculations show that Amm2-carbon exhibit large anisotropy in elastic moduli, such as Poisson’s ratio, shear modulus and Young’s modulus, and other anisotropy factors, such as the shear anisotropic factor and the universal anisotropic index AU. It is interestingly that the anisotropy in shear modulus and Young’s modulus, universal anisotropic index and the shear anisotropic factor all increases with increasing pressure, but the anisotropy in Poisson’s ratio decreases. The band structure calculations reveal that Amm2-carbon is a direct-band-gap semiconductor at ambient pressure, but with the pressure increasing, it becomes an indirect-band-gap semiconductor.

New generation of universal modeling for centrifugal compressors calculation

NASA Astrophysics Data System (ADS)

Galerkin, Y.; Drozdov, A.

2015-08-01

The Universal Modeling method is in constant use from mid - 1990th. Below is presented the newest 6th version of the Method. The flow path configuration of 3D impellers is presented in details. It is possible to optimize meridian configuration including hub/shroud curvatures, axial length, leading edge position, etc. The new model of vaned diffuser includes flow non-uniformity coefficient based on CFD calculations. The loss model was built from the results of 37 experiments with compressors stages of different flow rates and loading factors. One common set of empirical coefficients in the loss model guarantees the efficiency definition within an accuracy of 0.86% at the design point and 1.22% along the performance curve. The model verification was made. Four multistage compressors performances with vane and vaneless diffusers were calculated. As the model verification was made, four multistage compressors performances with vane and vaneless diffusers were calculated. Two of these compressors have quite unusual flow paths. The modeling results were quite satisfactory in spite of these peculiarities. One sample of the verification calculations is presented in the text. This 6th version of the developed computer program is being already applied successfully in the design practice.

Intact and Degraded Criticality Calculations for the Codisposal of Shippingport LWBR Spent Nuclear Fuel in a Waste Package

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

L.M. Montierth

2000-09-15

The objective of this calculation is to characterize the nuclear criticality safety concerns associated with the codisposal of the U.S. Department of Energy's (DOE) Shippingport Light Water Breeder Reactor (SP LWBR) Spent Nuclear Fuel (SNF) in a 5-Defense High-Level Waste (5-DHLW) Waste Package (WP), which is to be placed in a Monitored Geologic Repository (MGR). The scope of this calculation is limited to the determination of the effective neutron multiplication factor (K{sub eff}) for intact- and degraded-mode internal configurations of the codisposal WP containing Shippingport LWBR seed-type assemblies. The results of this calculation will be used to evaluate criticality issuesmore » and support the analysis that is planed to be performed to demonstrate the viability of the codisposal concept for the MGR. This calculation is associated with the waste package design and was performed in accordance with the DOE SNF Analysis Plan for FY 2000 (See Ref. 22). The document has been prepared in accordance with the Administrative Procedure AP-3.12Q, Calculations (Ref. 23).« less

Risk factors for lesions of the knee menisci among workers in South Korea's national parks.

PubMed

Shin, Donghee; Youn, Kanwoo; Lee, Eunja; Lee, Myeongjun; Chung, Hweemin; Kim, Deokweon

2016-01-01

This study was designed to investigate the prevalence of the menisci lesions in national park workers and work factors affecting this prevalence. The study subjects were 698 workers who worked in 20 Korean national parks in 2014. An orthopedist visited each national park and performed physical examinations. Knee MRI was performed if the McMurray test or Apley test was positive and there was a complaint of pain in knee area. An orthopedist and a radiologist respectively read these images of the menisci using a grading system based on the MRI signals. To calculate the cumulative intensity of trekking of the workers, the mean trail distance, the difficulty of the trail, the tenure at each national parks, and the number of treks per month for each worker from the start of work until the present were investigated. Chi-square tests was performed to see if there were differences in the menisci lesions grade according to the variables. The variables used in the Chi-square test were evaluated using simple logistic regression analysis to get crude odds ratios, and adjusted odds ratios and 95 % confidence intervals were calculated using multivariate logistic regression analysis after establishing three different models according to the adjusted variables. According to the MRI signal grades of menisci, 29 % were grade 0, 11.3 % were grade 1, 46.0 % were grade 2, and 13.7 % were grade 3. The differences in the MRI signal grades of menisci according to age and the intensity of trekking as calculated by the three different methods were statistically significant. Multiple logistic regression analysis was performed for three models. In model 1, there was no statistically significant factor affecting the menisci lesions. In model 2, among the factors affecting the menisci lesions, the OR of a high cumulative intensity of trekking was 4.08 (95 % CI 1.00-16.61), and in model 3, the OR of a high cumulative intensity of trekking was 5.84 (95 % CI 1.09-31.26). The factor that most affected the menisci lesions among the workers in Korean national park was a high cumulative intensity of trekking.

Long-term strength determination for cooled blades made of monocrystalline superalloys

NASA Astrophysics Data System (ADS)

Getsov, L. B.; Semenov, A. S.; Besschetnov, V. A.; Grishchenko, A. I.; Semenov, S. G.

2017-04-01

For the manufacture of blades for modern gas-turbine installations, monocrystalline alloys are used. Traditional methods for the calculation of stressed-deformed state and safety factors for these alloys developed and verified for polycrystalline materials need to be adjusted. This paper deals with methodological principles for an approach to the solving of the problem concerning a finite-element determination of the long-term static strength for cooled monocrystalline blades employed in gas-turbine installations based on the use of two different models (phenomenological and micromechanical) considering the inelastic deformation of monocrystalline superalloys. An analysis has been performed for the distribution of Schmid factors in the spherical triangle for primary and secondary octahedral and cubic slip systems. Calculations are performed using Larson-Miller's parametric dependences taking into account the crystallographic orientation of the material. A determination procedure for the anisotropy coefficients of long-term strength is described based on data for different orientations. A comparative analysis of the results of finite-element calculations made using phenomenological and micromechanical (crystallographic) creep models for the long-term static strength of cooled monocrystalline blades used in a gas-turbine engine has been performed. It is shown that the location of the most loaded sections of such a blade coincide with the results of calculations according to these models. It has been found that the micromechanical deformation model results in the obtaining of the most conservative estimate for the long-term strength of turbine blades made of monocrystalline alloys. It is shown that the calculations using models for materials with isotropic properties can produce considerable errors in determining the durability of the blades. The possibility is considered for using 1D-, 2D-, and 3D-models for turbine monocrystalline blades in the determination of their durability parameters.

Experimental study on the thermal hydraulic performance of plate-fin heat exchangers for cryogenic applications

NASA Astrophysics Data System (ADS)

Jiang, Qingfeng; Zhuang, Ming; Zhang, Qiyong; Zhu, Zhigang; Geng, Maofei; Sheng, Linhai; Zhu, Ping

2018-04-01

Efficient and compact plate-fin heat exchangers are critical for large-scale helium liquefaction/refrigeration systems as they constitute major part in the cold box. This study experimentally explores the heat transfer and pressure drop behaviors of helium gas at low temperature in four types of plate-fin channels, namely offset-strip and perforated fins, with different geometrical parameters. A series of cryogenic experiments at approximately liquid nitrogen temperature are carried out to measure the Colburn j factors and Fanning friction f factors with a wide range of Reynolds number. Besides, to reveal the performance variations under different operating temperatures, comparative experiments respectively conducted at room temperature and liquid nitrogen temperature are implemented. The results show that in comparison with the performance data at room temperature, most of j factors are relatively smaller perhaps because the lower aluminum thermal conductivity and higher Prandtl Number at low temperature. Meanwhile, the f factors corresponding to cryogenic conditions exhibit slightly larger even though the core pressure drops show considerable reductions. In contrast to the calculated results from the frequently-used performance curves (Chen and Shen, 1993), the Root Mean Squared Errors of j and f values are correlated within 8.38% and 6.97% for one perforated fin core, 41.29% and 34.97% for three OSF cores, respectively. For OSFs, further comparisons with the previous empirical correlations from literatures are conducted to verify the accuracy of each correlation. Generally, most of the calculated results predict acceptably within the deviations of ±25% for the j factors, while the predicted results express relatively large deviations for the f factors. Therefore, it may be revealed that most of the existing correlations were not able to accurately predict the experimental data in consideration of the performance differences under realistic cryogenic operating conditions, which could have significant influences during the design process of cryogenic heat exchangers.

GPU-based Green's function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models.

PubMed

Yang, Yiqun; Urban, Matthew W; McGough, Robert J

2018-05-15

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green's functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green's function approach are ideally suited for high-performance GPUs.

Two-Dimensional Computational Fluid Dynamics and Conduction Simulations of Heat Transfer in Horizontal Window Frames with Internal Cavities

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

Gustavsen, Arlid; Kohler, Christian; Dalehaug, Arvid

2008-12-01

This paper assesses the accuracy of the simplified frame cavity conduction/convection and radiation models presented in ISO 15099 and used in software for rating and labeling window products. Temperatures and U-factors for typical horizontal window frames with internal cavities are compared; results from Computational Fluid Dynamics (CFD) simulations with detailed radiation modeling are used as a reference. Four different frames were studied. Two were made of polyvinyl chloride (PVC) and two of aluminum. For each frame, six different simulations were performed, two with a CFD code and four with a building-component thermal-simulation tool using the Finite Element Method (FEM). Thismore » FEM tool addresses convection using correlations from ISO 15099; it addressed radiation with either correlations from ISO 15099 or with a detailed, view-factor-based radiation model. Calculations were performed using the CFD code with and without fluid flow in the window frame cavities; the calculations without fluid flow were performed to verify that the CFD code and the building-component thermal-simulation tool produced consistent results. With the FEM-code, the practice of subdividing small frame cavities was examined, in some cases not subdividing, in some cases subdividing cavities with interconnections smaller than five millimeters (mm) (ISO 15099) and in some cases subdividing cavities with interconnections smaller than seven mm (a breakpoint that has been suggested in other studies). For the various frames, the calculated U-factors were found to be quite comparable (the maximum difference between the reference CFD simulation and the other simulations was found to be 13.2 percent). A maximum difference of 8.5 percent was found between the CFD simulation and the FEM simulation using ISO 15099 procedures. The ISO 15099 correlation works best for frames with high U-factors. For more efficient frames, the relative differences among various simulations are larger. Temperature was also compared, at selected locations on the frames. Small differences was found in the results from model to model. Finally, the effectiveness of the ISO cavity radiation algorithms was examined by comparing results from these algorithms to detailed radiation calculations (from both programs). Our results suggest that improvements in cavity heat transfer calculations can be obtained by using detailed radiation modeling (i.e. view-factor or ray-tracing models), and that incorporation of these strategies may be more important for improving the accuracy of results than the use of CFD modeling for horizontal cavities.« less

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

Tom Elicson; Bentley Harwood; Jim Bouchard

Over a 12 month period, a fire PRA was developed for a DOE facility using the NUREG/CR-6850 EPRI/NRC fire PRA methodology. The fire PRA modeling included calculation of fire severity factors (SFs) and fire non-suppression probabilities (PNS) for each safe shutdown (SSD) component considered in the fire PRA model. The SFs were developed by performing detailed fire modeling through a combination of CFAST fire zone model calculations and Latin Hypercube Sampling (LHS). Component damage times and automatic fire suppression system actuation times calculated in the CFAST LHS analyses were then input to a time-dependent model of fire non-suppression probability. Themore » fire non-suppression probability model is based on the modeling approach outlined in NUREG/CR-6850 and is supplemented with plant specific data. This paper presents the methodology used in the DOE facility fire PRA for modeling fire-induced SSD component failures and includes discussions of modeling techniques for: • Development of time-dependent fire heat release rate profiles (required as input to CFAST), • Calculation of fire severity factors based on CFAST detailed fire modeling, and • Calculation of fire non-suppression probabilities.« less

Disconnected-Sea Quarks Contribution to Nucleon Electromagnetic Form Factors

NASA Astrophysics Data System (ADS)

Sufian, Raza Sabbir

We present comprehensive analysis of the light and strange disconnected-sea quarks contribution to the nucleon electric and magnetic form factors. The lattice QCD estimates of strange quark magnetic moment GsM (0) = -0.064(14)(09) microN and the mean squared charge radius E = -0.0043(16)(14) fm2 are more precise than any existing experimental measurements and other lattice calculations. The lattice QCD calculation includes ensembles across several lattice volumes and lattice spacings with one of the ensembles at the physical pion mass. We have performed a simultaneous chiral, infinite volume, and continuum extrapolation in a global fit to calculate results in the continuum limit. We find that the combined light-sea and strange quarks contribution to the nucleon magnetic moment is -0.022(11)(09) microN and to the nucleon mean square charge radius is -0.019(05)(05) fm 2. The most important outcome of this lattice QCD calculation is that while the combined light-sea and strange quarks contribution to the nucleon magnetic moment is small at about 1%, a negative 2.5(9)% contribution to the proton charge radius and a relatively larger positive 16.3(6.1)% contribution to the neutron charge radius come from the sea quarks in the nucleon. For the first time, by performing global fits, we also give predictions of the light-sea and strange quarks contributions to the nucleon electric and magnetic form factors at the physical point and in the continuum and infinite volume limits in the momentum transfer range of 0 ≤ Q2 ≤ 0.5 GeV2.

Math anxiety, self-efficacy, and ability in British undergraduate nursing students.

PubMed

McMullan, Miriam; Jones, Ray; Lea, Susan

2012-04-01

Nurses need to be able to make drug calculations competently. In this study, involving 229 second year British nursing students, we explored the influence of mathematics anxiety, self-efficacy, and numerical ability on drug calculation ability and determined which factors would best predict this skill. Strong significant relationships (p < .001) existed between anxiety, self-efficacy, and ability. Students who failed the numerical and/or drug calculation ability tests were more anxious (p < .001) and less confident (p ≤ .002) in performing calculations than those who passed. Numerical ability made the strongest unique contribution in predicting drug calculation ability (beta = 0.50, p < .001) followed by drug calculation self-efficacy (beta = 0.16, p = .04). Early testing is recommended for basic numerical skills. Faculty are advised to refresh students' numerical skills before introducing drug calculations. Copyright © 2012 Wiley Periodicals, Inc.

Output calculation of electron therapy at extended SSD using an improved LBR method.

PubMed

Alkhatib, Hassaan A; Gebreamlak, Wondesen T; Tedeschi, David J; Mihailidis, Dimitris; Wright, Ben W; Neglia, William J; Sobash, Philip T; Fontenot, Jonas D

2015-02-01

To calculate the output factor (OPF) of any irregularly shaped electron beam at extended SSD. Circular cutouts were prepared from 2.0 cm diameter to the maximum possible size for 15 × 15 applicator cone. In addition, two irregular cutouts were prepared. For each cutout, percentage depth dose (PDD) at the standard SSD and doses at different SSD values were measured using 6, 9, 12, and 16 MeV electron beam energies on a Varian 2100C LINAC and the distance at which the central axis electron fluence becomes independent of cutout size was determined. The measurements were repeated with an ELEKTA Synergy LINAC using 14 × 14 applicator cone and electron beam energies of 6, 9, 12, and 15 MeV. The PDD measurements were performed using a scanning system and two diodes-one for the signal and the other a stationary reference outside the tank. The doses of the circular cutouts at different SSDs were measured using PTW 0.125 cm(3) Semiflex ion-chamber and EDR2 films. The electron fluence was measured using EDR2 films. For each circular cutout, the lateral buildup ratio (LBR) was calculated from the measured PDD curve using the open applicator cone as the reference field. The effective SSD (SSDeff) of each circular cutout was calculated from the measured doses at different SSD values. Using the LBR value and the radius of the circular cutout, the corresponding lateral spread parameter [σR(z)] was calculated. Taking the cutout size dependence of σR(z) into account, the PDD curves of the irregularly shaped cutouts at the standard SSD were calculated. Using the calculated PDD curve of the irregularly shaped cutout along with the LBR and SSDeff values of the circular cutouts, the output factor of the irregularly shaped cutout at extended SSD was calculated. Finally, both the calculated PDD curves and output factor values were compared with the measured values. The improved LBR method has been generalized to calculate the output factor of electron therapy at extended SSD. The percentage difference between the calculated and the measured output factors of irregularly shaped cutouts in a clinical useful SSD region was within 2%. Similar results were obtained for all available electron energies of both Varian 2100C and ELEKTA Synergy machines.

The Three-Dimensional (3D) Numerical Stability Analysis of Hyttemalmen Open-Pit

NASA Astrophysics Data System (ADS)

Cała, Marek; Kowalski, Michał; Stopkowicz, Agnieszka

2014-10-01

The purpose of this paper was to perform the 3D numerical calculations allowing slope stability analysis of Hyttemalmen open pit (location Kirkenes, Finnmark Province, Norway). After a ramp rock slide, which took place in December 2010, as well as some other small-scale rock slope stability problems, it proved necessary to perform a serious stability analyses. The Hyttemalmen open pit was designed with a depth up to 100 m, a bench height of 24 m and a ramp width of 10 m. The rock formation in the iron mining district of Kirkenes is called the Bjornevaten Group. This is the most structurally complicated area connected with tectonic process such as folding, faults and metamorphosis. The Bjornevaten Group is a volcano-sedimentary sequence. Rock slope stability depends on the mechanical properties of the rock, hydro-geological conditions, slope topography, joint set systems and seismic activity. However, rock slope stability is mainly connected with joint sets. Joints, or general discontinuities, are regarded as weak planes within rock which have strength reducing consequences with regard to rock strength. Discontinuities within the rock mass lead to very low tensile strength. Several simulations were performed utilising the RocLab (2007) software to estimate the gneiss cohesion for slopes of different height. The RocLab code is dedicated to estimate rock mass strength using the Hoek-Brown failure criterion. Utilising both the GSI index and the Hoek-Brown strength criterion the equivalent Mohr-Coulomb parameters (cohesion and angle of internal friction) can be calculated. The results of 3D numerical calculations (with FLA3D code) show that it is necessary to redesign the slope-bench system in the Hyttemalmen open pit. Changing slope inclination for lower stages is recommended. The minimum factor of safety should be equal 1.3. At the final planned stage of excavation, the factor of safety drops to 1.06 with failure surface ranging through all of the slopes. In the case of a slope angle 70° for lower stages, FS = 1.26, which is not enough to provide slope stability. Another series of calculations were therefore performed taking water table lowering into consideration, which increases the global safety factor. It was finally evaluated, that for a water table level of 72 m the factor of safety equals 1.3, which is enough to assure global open-pit stability.

The New Performance Calculation Method of Fouled Axial Flow Compressor

PubMed Central

Xu, Hong

2014-01-01

Fouling is the most important performance degradation factor, so it is necessary to accurately predict the effect of fouling on engine performance. In the previous research, it is very difficult to accurately model the fouled axial flow compressor. This paper develops a new performance calculation method of fouled multistage axial flow compressor based on experiment result and operating data. For multistage compressor, the whole compressor is decomposed into two sections. The first section includes the first 50% stages which reflect the fouling level, and the second section includes the last 50% stages which are viewed as the clean stage because of less deposits. In this model, the performance of the first section is obtained by combining scaling law method and linear progression model with traditional stage stacking method; simultaneously ambient conditions and engine configurations are considered. On the other hand, the performance of the second section is calculated by averaged infinitesimal stage method which is based on Reynolds' law of similarity. Finally, the model is successfully applied to predict the 8-stage axial flow compressor and 16-stage LM2500-30 compressor. The change of thermodynamic parameters such as pressure ratio, efficiency with the operating time, and stage number is analyzed in detail. PMID:25197717

Extrapolating the Trends of Test Drop Data with Opening Shock Factor Calculations: the Case of the Orion Main and Drogue Parachutes Inflating to 1st Reefed Stage

NASA Technical Reports Server (NTRS)

Potvin, Jean; Ray, Eric

2017-01-01

We describe a new calculation of the opening shock factor C (sub k) characterizing the inflation performance of NASA's Orion spacecraft main and drogue parachutes opening under a reefing constraint (1st stage reefing), as currently tested in the Capsule Parachute Assembly System (CPAS) program. This calculation is based on an application of the Momentum-Impulse Theorem at low mass ratio (R (sub m) is less than 10 (sup -1)) and on an earlier analysis of the opening performance of drogues decelerating point masses and inflating along horizontal trajectories. Herein we extend the reach of the Theorem to include the effects of payload drag and gravitational impulse during near-vertical motion - both important pre-requisites for CPAS parachute analysis. The result is a family of C (sub k) versus R (sub m) curves which can be used for extrapolating beyond the drop-tested envelope. The paper proves this claim in the case of the CPAS Mains and Drogues opening while trailing either a Parachute Compartment Drop Test Vehicle or a Parachute Test Vehicle (an Orion capsule boiler plate). It is seen that in all cases the values of the opening shock factor can be extrapolated over a range in mass ratio that is at least twice that of the test drop data.

Identification of the numerical model of FEM in reference to measurements in situ

NASA Astrophysics Data System (ADS)

Jukowski, Michał; Bec, Jarosław; Błazik-Borowa, Ewa

2018-01-01

The paper deals with the verification of various numerical models in relation to the pilot-phase measurements of a rail bridge subjected to dynamic loading. Three types of FEM models were elaborated for this purpose. Static, modal and dynamic analyses were performed. The study consisted of measuring the acceleration values of the structural components of the object at the moment of the train passing. Based on this, FFT analysis was performed, the main natural frequencies of the bridge were determined, the structural damping ratio and the dynamic amplification factor (DAF) were calculated and compared with the standard values. Calculations were made using Autodesk Simulation Multiphysics (Algor).

Reliable before-fabrication forecasting of normal and touch mode MEMS capacitive pressure sensor: modeling and simulation

NASA Astrophysics Data System (ADS)

Jindal, Sumit Kumar; Mahajan, Ankush; Raghuwanshi, Sanjeev Kumar

2017-10-01

An analytical model and numerical simulation for the performance of MEMS capacitive pressure sensors in both normal and touch modes is required for expected behavior of the sensor prior to their fabrication. Obtaining such information should be based on a complete analysis of performance parameters such as deflection of diaphragm, change of capacitance when the diaphragm deflects, and sensitivity of the sensor. In the literature, limited work has been carried out on the above-stated issue; moreover, due to approximation factors of polynomials, a tolerance error cannot be overseen. Reliable before-fabrication forecasting requires exact mathematical calculation of the parameters involved. A second-order polynomial equation is calculated mathematically for key performance parameters of both modes. This eliminates the approximation factor, and an exact result can be studied, maintaining high accuracy. The elimination of approximation factors and an approach of exact results are based on a new design parameter (δ) that we propose. The design parameter gives an initial hint to the designers on how the sensor will behave once it is fabricated. The complete work is aided by extensive mathematical detailing of all the parameters involved. Next, we verified our claims using MATLAB® simulation. Since MATLAB® effectively provides the simulation theory for the design approach, more complicated finite element method is not used.

Sci-Thur PM: YIS - 07: Monte Carlo simulations to obtain several parameters required for electron beam dosimetry.

PubMed

Muir, B; Rogers, D; McEwen, M

2012-07-01

When current dosimetry protocols were written, electron beam data were limited and had uncertainties that were unacceptable for reference dosimetry. Protocols for high-energy reference dosimetry are currently being updated leading to considerable interest in accurate electron beam data. To this end, Monte Carlo simulations using the EGSnrc user-code egs_chamber are performed to extract relevant data for reference beam dosimetry. Calculations of the absorbed dose to water and the absorbed dose to the gas in realistic ion chamber models are performed as a function of depth in water for cobalt-60 and high-energy electron beams between 4 and 22 MeV. These calculations are used to extract several of the parameters required for electron beam dosimetry - the beam quality specifier, R 50 , beam quality conversion factors, k Q and k R50 , the electron quality conversion factor, k' R50 , the photon-electron conversion factor, k ecal , and ion chamber perturbation factors, P Q . The method used has the advantage that many important parameters can be extracted as a function of depth instead of determination at only the reference depth as has typically been done. Results obtained here are in good agreement with measured and other calculated results. The photon-electron conversion factors obtained for a Farmer-type NE2571 and plane-parallel PTW Roos, IBA NACP-02 and Exradin A11 chambers are 0.903, 0.896, 0.894 and 0.906, respectively. These typically differ by less than 0.7% from the contentious TG-51 values but have much smaller systematic uncertainties. These results are valuable for reference dosimetry of high-energy electron beams. © 2012 American Association of Physicists in Medicine.

Interference-Fit Life Factors for Roller Bearings

NASA Technical Reports Server (NTRS)

Oswald, Fred B.; Zaretsky, Erwin V.; Poplawski, Joseph V.

2009-01-01

The effect of hoop stresses in reducing cylindrical roller bearing fatigue life was determined for various classes of inner-ring interference fit. Calculations were performed for up to 7 fit classes for each of 10 bearing sizes. The hoop stresses were superimposed on the Hertzian principal stresses created by the applied radial load to calculate roller bearing fatigue life. A method was developed through a series of equations to calculate the life reduction for cylindrical roller bearings. All calculated lives are for zero initial internal clearance. Any reduction in bearing clearance due to interference fit would be compensated by increasing the initial (unmounted) clearance. Results are presented as tables and charts of life factors for bearings with light, moderate, and heavy loads and interference fits ranging from extremely light to extremely heavy for bearing accuracy class RBEC-5 (ISO class 5). Interference fits on the inner ring of a cylindrical roller bearing can significantly reduce bearing fatigue life. In general, life factors are smaller (lower life) for bearings running under light load where the unfactored life is highest. The various bearing series within a particular bore size had almost identical interference-fit life factors for a particular fit. The tightest fit at the high end of the tolerance band produces a life factor of approximately 0.40 for an inner-race maximum Hertz stress of 1200 MPa (175 ksi) and a life factor of 0.60 for an inner-race maximum Hertz stress of 2200 MPa (320 ksi). Interference fits also impact the maximum Hertz stress-life relation.

Management of thermal peaking factors in CONFU-B PWR assemblies using neutron poisons and tailored enrichment

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

Visosky, M.; Hejzlar, P.; Kazimi, M.

2006-07-01

CONFU-B assemblies are PWR assemblies containing standard Uranium fuel rods and TRU bearing inert material fuel rods and are designed to achieve net TRU destruction over a 4.5-year irradiation. These highly heterogeneous assemblies tend to exhibit large intra-assembly power peaking factors (IAPPF). Neutronic strategies to reduce IAPPF are developed. The IAPPF are calculated at the assembly level using CASMO4, and these are used to calculate the most restrictive thermal margin (the Minimum Departure from Nucleate Boiling Ratio, MDNBR) using a whole-core VIPRE-01 model. This paper examines two strategies to manage the thermal margin of a CONFU-B assembly while retaining themore » TRU destruction performance: use of neutron poisons and tailored enrichment schemes. Burnable poisons can be used to suppress BOL reactivity of fresh CONFU-B assemblies with only minor impact on MDNBR and TRU destruction performance. Tailored enrichment, along with the use of soluble boron, can achieve significant improvements in MDNBR, but at some cost to TRU destruction performance. (authors)« less

Transmitter pointing loss calculation for free-space optical communications link analyses

NASA Technical Reports Server (NTRS)

Marshall, William K.

1987-01-01

In calculating the performance of free-space optical communications links, the transmitter pointing loss is one of the two most important factors. It is shown in this paper that the traditional formula for the instantaneous pointing loss (i.e., for the transmitter telescope far-field beam pattern) is quite inaccurate. A more accurate and practical approximation is developed in which the pointing loss is calculated using a Taylor series approximation. The four-term series is shown to be accurate to 0.1 dB for the theta angles not greater than 0.9 lambda/D (wavelength/telescope diameter).

The Social Action Perspective: Attachments to Work and Productivity in the Research Function.

ERIC Educational Resources Information Center

Rebne, Douglas

1989-01-01

Examines faculty motivation and quantitative performance in research. Factor analysis discloses three bases of employment motivation: moral, calculative, and alienative. Regression analysis indicates that moral and alienative attachments contribute to explaining research productivity. (Author/TE)

Calculating inspector probability of detection using performance demonstration program pass rates

NASA Astrophysics Data System (ADS)

Cumblidge, Stephen; D'Agostino, Amy

2016-02-01

The United States Nuclear Regulatory Commission (NRC) staff has been working since the 1970's to ensure that nondestructive testing performed on nuclear power plants in the United States will provide reasonable assurance of structural integrity of the nuclear power plant components. One tool used by the NRC has been the development and implementation of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code Section XI Appendix VIII[1] (Appendix VIII) blind testing requirements for ultrasonic procedures, equipment, and personnel. Some concerns have been raised, over the years, by the relatively low pass rates for the Appendix VIII qualification testing. The NRC staff has applied statistical tools and simulations to determine the expected probability of detection (POD) for ultrasonic examinations under ideal conditions based on the pass rates for the Appendix VIII qualification tests for the ultrasonic testing personnel. This work was primarily performed to answer three questions. First, given a test design and pass rate, what is the expected overall POD for inspectors? Second, can we calculate the probability of detection for flaws of different sizes using this information? Finally, if a previously qualified inspector fails a requalification test, does this call their earlier inspections into question? The calculations have shown that one can expect good performance from inspectors who have passed appendix VIII testing in a laboratory-like environment, and the requalification pass rates show that the inspectors have maintained their skills between tests. While these calculations showed that the PODs for the ultrasonic inspections are very good under laboratory conditions, the field inspections are conducted in a very different environment. The NRC staff has initiated a project to systematically analyze the human factors differences between qualification testing and field examinations. This work will be used to evaluate and prioritize potential human factors issues that may degrade performance in the field.

First-principles study of the effects of Silicon doping on the Schottky barrier of TiSi2/Si interfaces

NASA Astrophysics Data System (ADS)

Wang, Han; Silva, Eduardo; West, Damien; Sun, Yiyang; Restrepo, Oscar; Zhang, Shengbai; Kota, Murali

As scaling of semiconductor devices is pursued in order to improve power efficiency, quantum effects due to the reduced dimensions on devices have become dominant factors in power, performance, and area scaling. In particular, source/drain contact resistance has become a limiting factor in the overall device power efficiency and performance. As a consequence, techniques such as heavy doping of source and drain have been explored to reduce the contact resistance, thereby shrinking the width of depletion region and lowering the Schottky barrier height. In this work, we study the relation between doping in Silicon and the Schottky barrier of a TiSi2/Si interface with first-principles calculation. Virtual Crystal Approximation (VCA) is used to calculate the average potential of the interface with varying doping concentration, while the I-V curve for the corresponding interface is calculated with a generalized one-dimensional transfer matrix method. The relation between substitutional and interstitial Boron and Phosphorus dopant near the interface, and their effect on tuning the Schottky barrier is studied. These studies provide insight to the type of doping and the effect of dopant segregation to optimize metal-semiconductor interface resistance.

Impacts of the Angular Dependence of the Solar Diffuser BRDF Degradation Factor on the SNPP VIIRS Reflective Solar Band On-Orbit Radiometric Calibration

NASA Technical Reports Server (NTRS)

Lei, Ning; Xiong, Xiaoxiong

2016-01-01

Using an onboard sunlit solar diffuser (SD) as the primary radiance source, the visible infrared imaging radiometer suite (VIIRS) on the Suomi National Polar-orbiting Partnership satellite regularly performs radiometric calibration of its reflective solar bands (RSBs). The SD bidirectional reflectance distribution function (BRDF) value decreases over time. A numerical degradation factor is used to quantify the degradation and is determined by an onboard SD stability monitor (SDSM), which observes the sun and the sunlit SD at almost the same time. We had shown previously that the BRDF degradation factor was angle-dependent. Consequently, due to that the SDSM and the RSB view the SD at very different angles relative to both the solar and the SD surface normal vectors, directly applying the BRDF degradation factor determined by the SDSM to the VIIRS RSB calibration can result in large systematic errors. We develop a phenomenological model to calculate the BRDF degradation factor for the RSB SD view from the degradation factor for the SDSM SD view. Using the yearly undulations observed in the VIIRS detector gains for the M1-M4 bands calculated with the SD BRDF degradation factor for the SDSM SD view and the difference between the VIIRS detector gains calculated from the SD and the lunar observations, we obtain the model parameter values and thus establish the relation between the BRDF degradation factors for the RSB and the SDSM SD view directions.

Tools for Basic Statistical Analysis

NASA Technical Reports Server (NTRS)

Luz, Paul L.

2005-01-01

Statistical Analysis Toolset is a collection of eight Microsoft Excel spreadsheet programs, each of which performs calculations pertaining to an aspect of statistical analysis. These programs present input and output data in user-friendly, menu-driven formats, with automatic execution. The following types of calculations are performed: Descriptive statistics are computed for a set of data x(i) (i = 1, 2, 3 . . . ) entered by the user. Normal Distribution Estimates will calculate the statistical value that corresponds to cumulative probability values, given a sample mean and standard deviation of the normal distribution. Normal Distribution from two Data Points will extend and generate a cumulative normal distribution for the user, given two data points and their associated probability values. Two programs perform two-way analysis of variance (ANOVA) with no replication or generalized ANOVA for two factors with four levels and three repetitions. Linear Regression-ANOVA will curvefit data to the linear equation y=f(x) and will do an ANOVA to check its significance.

The New Burma Road(s): How a Networked System of Roads will Best Orient Myanmar towards Economic Success

DTIC Science & Technology

2014-10-30

figure calculated by reviewing a country’s performance in a number of factors such as customs clearance efficiency and tracking capabilities. 76...the transportation sector, marginal costs are calculated based on the total costs per one additional mile of a particular transportation mode. For...Myanmar: KPMG Advisory (Myanmar) Limited, 2013. Kubo , Koji. “Myanmar’s Two Decades of Partial Transition to a Market Economy: A Negative

In vivo proton dosimetry using a MOSFET detector in an anthropomorphic phantom with tissue inhomogeneity

PubMed Central

Hotta, Kenji; Matsubara, Kana; Nishioka, Shie; Matsuura, Taeko; Kawashima, Mitsuhiko

2012-01-01

When in vivo proton dosimetry is performed with a metal‐oxide semiconductor field‐effect transistor (MOSFET) detector, the response of the detector depends strongly on the linear energy transfer. The present study reports a practical method to correct the MOSFET response for linear energy transfer dependence by using a simplified Monte Carlo dose calculation method (SMC). A depth‐output curve for a mono‐energetic proton beam in polyethylene was measured with the MOSFET detector. This curve was used to calculate MOSFET output distributions with the SMC (SMCMOSFET). The SMCMOSFET output value at an arbitrary point was compared with the value obtained by the conventional SMCPPIC, which calculates proton dose distributions by using the depth‐dose curve determined by a parallel‐plate ionization chamber (PPIC). The ratio of the two values was used to calculate the correction factor of the MOSFET response at an arbitrary point. The dose obtained by the MOSFET detector was determined from the product of the correction factor and the MOSFET raw dose. When in vivo proton dosimetry was performed with the MOSFET detector in an anthropomorphic phantom, the corrected MOSFET doses agreed with the SMCPPIC results within the measurement error. To our knowledge, this is the first report of successful in vivo proton dosimetry with a MOSFET detector. PACS number: 87.56.‐v PMID:22402385

Calculated transport properties of CdO: thermal conductivity and thermoelectric power factor

DOE PAGES

Lindsay, Lucas R.; Parker, David S.

2015-10-01

We present first principles calculations of the thermal and electronic transport properties of the oxide semiconductor CdO. In particular, we find from theory that the accepted thermal conductivity κ value of 0.7 Wm -1K -1 is approximately one order of magnitude too small; our calculations of κ of CdO are in good agreement with recent measurements. We also find that alloying of MgO with CdO is an effective means to reduce the lattice contribution to κ, despite MgO having a much larger thermal conductivity. We further consider the electronic structure of CdO in relation to thermoelectric performance, finding that largemore » thermoelectric power factors may occur if the material can be heavily doped p-type. This work develops insight into the nature of thermal and electronic transport in an important oxide semiconductor.« less

RECENT PROGRESS OF CRACK BRIDGING MODELING OF DUCTILE-PHASE-TOUGHENED W-CU COMPOSITES

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

Setyawan, Wahyu; Henager, Charles H.; Wagner, Karla B.

2015-04-16

A crack bridging model using calculated Cu stress-strain curves has been developed to study the toughening of W-Cu composites. A strengthening factor and necking parameters have been added to the model for the ductile-phase bridges to incorporate constraint effects at small bridge sizes. Parametric studies are performed to investigate the effect of these parameters. The calculated maximum applied stress intensity, aKmax, to induce a 1-mm stable crack is compared to the experimental stress intensity at peak load, Kpeak. Without bridge necking, increasing the strengthening factor improves the agreement between aKmax and Kpeak when plotted vs. logarithm of the displacement rate.more » Improvement can also be achieved by allowing necking with a larger failure strain. While the slope is better matched with this latter approach, the calculated value of aKmax is significantly larger than Kpeak.« less

Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS.

PubMed

Haghighi Mood, Kaveh; Lüchow, Arne

2017-08-17

Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal compounds is performed. It is demonstrated that energy optimization of the orbitals of a complete active space wave function in the presence of a Jastrow correlation function is required to obtain agreement with the experimental dissociation energy. Furthermore, it is shown that orbital optimization leads to a 5 Δ ground state, in agreement with experiments but in disagreement with other high-level ab initio wave function calculations which all predict a 5 Σ + ground state. The role of the Jastrow factor in DMC calculations with pseudopotentials is investigated. The results suggest that a large Jastrow factor may improve the DMC accuracy substantially at small additional cost.

Make the most of your samples: Bayes factor estimators for high-dimensional models of sequence evolution.

PubMed

Baele, Guy; Lemey, Philippe; Vansteelandt, Stijn

2013-03-06

Accurate model comparison requires extensive computation times, especially for parameter-rich models of sequence evolution. In the Bayesian framework, model selection is typically performed through the evaluation of a Bayes factor, the ratio of two marginal likelihoods (one for each model). Recently introduced techniques to estimate (log) marginal likelihoods, such as path sampling and stepping-stone sampling, offer increased accuracy over the traditional harmonic mean estimator at an increased computational cost. Most often, each model's marginal likelihood will be estimated individually, which leads the resulting Bayes factor to suffer from errors associated with each of these independent estimation processes. We here assess the original 'model-switch' path sampling approach for direct Bayes factor estimation in phylogenetics, as well as an extension that uses more samples, to construct a direct path between two competing models, thereby eliminating the need to calculate each model's marginal likelihood independently. Further, we provide a competing Bayes factor estimator using an adaptation of the recently introduced stepping-stone sampling algorithm and set out to determine appropriate settings for accurately calculating such Bayes factors, with context-dependent evolutionary models as an example. While we show that modest efforts are required to roughly identify the increase in model fit, only drastically increased computation times ensure the accuracy needed to detect more subtle details of the evolutionary process. We show that our adaptation of stepping-stone sampling for direct Bayes factor calculation outperforms the original path sampling approach as well as an extension that exploits more samples. Our proposed approach for Bayes factor estimation also has preferable statistical properties over the use of individual marginal likelihood estimates for both models under comparison. Assuming a sigmoid function to determine the path between two competing models, we provide evidence that a single well-chosen sigmoid shape value requires less computational efforts in order to approximate the true value of the (log) Bayes factor compared to the original approach. We show that the (log) Bayes factors calculated using path sampling and stepping-stone sampling differ drastically from those estimated using either of the harmonic mean estimators, supporting earlier claims that the latter systematically overestimate the performance of high-dimensional models, which we show can lead to erroneous conclusions. Based on our results, we argue that highly accurate estimation of differences in model fit for high-dimensional models requires much more computational effort than suggested in recent studies on marginal likelihood estimation.

Make the most of your samples: Bayes factor estimators for high-dimensional models of sequence evolution

PubMed Central

2013-01-01

Background Accurate model comparison requires extensive computation times, especially for parameter-rich models of sequence evolution. In the Bayesian framework, model selection is typically performed through the evaluation of a Bayes factor, the ratio of two marginal likelihoods (one for each model). Recently introduced techniques to estimate (log) marginal likelihoods, such as path sampling and stepping-stone sampling, offer increased accuracy over the traditional harmonic mean estimator at an increased computational cost. Most often, each model’s marginal likelihood will be estimated individually, which leads the resulting Bayes factor to suffer from errors associated with each of these independent estimation processes. Results We here assess the original ‘model-switch’ path sampling approach for direct Bayes factor estimation in phylogenetics, as well as an extension that uses more samples, to construct a direct path between two competing models, thereby eliminating the need to calculate each model’s marginal likelihood independently. Further, we provide a competing Bayes factor estimator using an adaptation of the recently introduced stepping-stone sampling algorithm and set out to determine appropriate settings for accurately calculating such Bayes factors, with context-dependent evolutionary models as an example. While we show that modest efforts are required to roughly identify the increase in model fit, only drastically increased computation times ensure the accuracy needed to detect more subtle details of the evolutionary process. Conclusions We show that our adaptation of stepping-stone sampling for direct Bayes factor calculation outperforms the original path sampling approach as well as an extension that exploits more samples. Our proposed approach for Bayes factor estimation also has preferable statistical properties over the use of individual marginal likelihood estimates for both models under comparison. Assuming a sigmoid function to determine the path between two competing models, we provide evidence that a single well-chosen sigmoid shape value requires less computational efforts in order to approximate the true value of the (log) Bayes factor compared to the original approach. We show that the (log) Bayes factors calculated using path sampling and stepping-stone sampling differ drastically from those estimated using either of the harmonic mean estimators, supporting earlier claims that the latter systematically overestimate the performance of high-dimensional models, which we show can lead to erroneous conclusions. Based on our results, we argue that highly accurate estimation of differences in model fit for high-dimensional models requires much more computational effort than suggested in recent studies on marginal likelihood estimation. PMID:23497171

Prospective high thermoelectric performance of the heavily p -doped half-Heusler compound CoVSn

DOE PAGES

Shi, Hongliang; Ming, Wenmei; Parker, David S.; ...

2017-05-11

The electronic structure and transport properties of the half-Heusler compound CoVSn are studied in this paper systematically by combining first-principles electronic structure calculations and Boltzmann transport theory. The band structure at the valence-band edge is complex with multiple maxima derived from hybridized transition element d states. The result is a calculated thermopower larger than 200 μV /Κ within a wide range of doping concentrations and temperatures for heavily doped p-type CoVSn. The thermoelectric properties additionally benefit from the corrugated shapes of the hole pockets in our calculated isoenergy surfaces. Our calculated power factor S 2σ/τ (with respect to an averagemore » unknown scattering time) of CoVSn is comparable to that of FeNbSb. A smaller lattice thermal conductivity can be expected from the smaller group velocities of acoustical modes compared to FeNbSb. Finally, overall, good thermoelectric performance for CoVSn can be expected by considering the electronic transport and lattice thermal conductivity.« less

Prospective high thermoelectric performance of the heavily p -doped half-Heusler compound CoVSn

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

Shi, Hongliang; Ming, Wenmei; Parker, David S.

The electronic structure and transport properties of the half-Heusler compound CoVSn are studied in this paper systematically by combining first-principles electronic structure calculations and Boltzmann transport theory. The band structure at the valence-band edge is complex with multiple maxima derived from hybridized transition element d states. The result is a calculated thermopower larger than 200 μV /Κ within a wide range of doping concentrations and temperatures for heavily doped p-type CoVSn. The thermoelectric properties additionally benefit from the corrugated shapes of the hole pockets in our calculated isoenergy surfaces. Our calculated power factor S 2σ/τ (with respect to an averagemore » unknown scattering time) of CoVSn is comparable to that of FeNbSb. A smaller lattice thermal conductivity can be expected from the smaller group velocities of acoustical modes compared to FeNbSb. Finally, overall, good thermoelectric performance for CoVSn can be expected by considering the electronic transport and lattice thermal conductivity.« less

Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions.

PubMed

Gao, Weiwei; Xia, Weiyi; Gao, Xiang; Zhang, Peihong

2016-11-11

Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials.

TRASYS form factor matrix normalization

NASA Technical Reports Server (NTRS)

Tsuyuki, Glenn T.

1992-01-01

A method has been developed for adjusting a TRASYS enclosure form factor matrix to unity. This approach is not limited to closed geometries, and in fact, it is primarily intended for use with open geometries. The purpose of this approach is to prevent optimistic form factors to space. In this method, nodal form factor sums are calculated within 0.05 of unity using TRASYS, although deviations as large as 0.10 may be acceptable, and then, a process is employed to distribute the difference amongst the nodes. A specific example has been analyzed with this method, and a comparison was performed with a standard approach for calculating radiation conductors. In this comparison, hot and cold case temperatures were determined. Exterior nodes exhibited temperature differences as large as 7 C and 3 C for the hot and cold cases, respectively when compared with the standard approach, while interior nodes demonstrated temperature differences from 0 C to 5 C. These results indicate that temperature predictions can be artificially biased if the form factor computation error is lumped into the individual form factors to space.

An Investigation of Factors Affecting Multi-Task Performance in an Immersive Environment

DTIC Science & Technology

2007-12-01

The general form of the MAACL-R was administered (appendix B; Zuckerman & Lubin, 1985). The MAACL-R consists of five primary subscales ( Anxiety ...or Negative Affect, is calculated by the addition of the Anxiety , Depression, and Hostility scores. The respondents were instructed to check all the...Activity, Aggression- Hostility, Sociability, Neuroticism- Anxiety , and Impulsive Risk Taking. This five-factor model is recommended for research

Finite amplitude method applied to the giant dipole resonance in heavy rare-earth nuclei

NASA Astrophysics Data System (ADS)

Oishi, Tomohiro; Kortelainen, Markus; Hinohara, Nobuo

2016-03-01

Background: The quasiparticle random phase approximation (QRPA), within the framework of nuclear density functional theory (DFT), has been a standard tool to access the collective excitations of atomic nuclei. Recently, the finite amplitude method (FAM) was developed in order to perform the QRPA calculations efficiently without any truncation on the two-quasiparticle model space. Purpose: We discuss the nuclear giant dipole resonance (GDR) in heavy rare-earth isotopes, for which the conventional matrix diagonalization of the QRPA is numerically demanding. A role of the Thomas-Reiche-Kuhn (TRK) sum rule enhancement factor, connected to the isovector effective mass, is also investigated. Methods: The electric dipole photoabsorption cross section was calculated within a parallelized FAM-QRPA scheme. We employed the Skyrme energy density functional self-consistently in the DFT calculation for the ground states and FAM-QRPA calculation for the excitations. Results: The mean GDR frequency and width are mostly reproduced with the FAM-QRPA, when compared to experimental data, although some deficiency is observed with isotopes heavier than erbium. A role of the TRK enhancement factor in actual GDR strength is clearly shown: its increment leads to a shift of the GDR strength to higher-energy region, without a significant change in the transition amplitudes. Conclusions: The newly developed FAM-QRPA scheme shows remarkable efficiency, which enables one to perform systematic analysis of GDR for heavy rare-earth nuclei. The theoretical deficiency of the photoabsorption cross section could not be improved by only adjusting the TRK enhancement factor, suggesting the necessity of an approach beyond self-consistent QRPA and/or a more systematic optimization of the energy density functional (EDF) parameters.

GPU-based Green’s function simulations of shear waves generated by an applied acoustic radiation force in elastic and viscoelastic models

NASA Astrophysics Data System (ADS)

Yang, Yiqun; Urban, Matthew W.; McGough, Robert J.

2018-05-01

Shear wave calculations induced by an acoustic radiation force are very time-consuming on desktop computers, and high-performance graphics processing units (GPUs) achieve dramatic reductions in the computation time for these simulations. The acoustic radiation force is calculated using the fast near field method and the angular spectrum approach, and then the shear waves are calculated in parallel with Green’s functions on a GPU. This combination enables rapid evaluation of shear waves for push beams with different spatial samplings and for apertures with different f/#. Relative to shear wave simulations that evaluate the same algorithm on an Intel i7 desktop computer, a high performance nVidia GPU reduces the time required for these calculations by a factor of 45 and 700 when applied to elastic and viscoelastic shear wave simulation models, respectively. These GPU-accelerated simulations also compared to measurements in different viscoelastic phantoms, and the results are similar. For parametric evaluations and for comparisons with measured shear wave data, shear wave simulations with the Green’s function approach are ideally suited for high-performance GPUs.

'Prostate Cancer Risk Calculator' mobile applications (Apps): a systematic review and scoring using the validated user version of the Mobile Application Rating Scale (uMARS).

PubMed

Adam, Ahmed; Hellig, Julian C; Perera, Marlon; Bolton, Damien; Lawrentschuk, Nathan

2018-04-01

The use of mobile phone applications (Apps) has modernised the conventional practice of medicine. The diagnostic ability of the current Apps in prostate specific antigen monitoring, and its diagnostic ability within prostate cancer (PCa) risk calculators have not yet been appraised. We aimed to review, rate and assess the everyday functionality, and utility of all the currently available PCa risk calculator Apps. A systematic search on iTunes, Google Play Store, Blackberry World and Windows Apps Store, was performed on 23/11/2017, using the search term 'prostate cancer risk calculator'. After applying the exclusion criteria, each App was individually assessed and rated using pre-set criteria and grading was performed using the validated uMARS scale. In total, 83 Apps were retrieved. After applying our exclusion criteria, only 9 Apps were relevant, with 2 duplicated, and the remaining 7 were suitable for critical review. Data sizes ranged from 414 kb to 10.1 Mb. The cost of the Apps ranged from South African rand (ZAR) 0.00 to ZAR 29.99. The overall mean category uMARS scores ranged from 2.8/5 to 4.5/5. Apps such as Rotterdam Prostate Cancer Risk Calculator, Coral-Prostate Cancer Nomogram Calculator and CPC Risk Calculator, performed the best. The current PCa risk calculator mobile Apps available may be beneficial in counselling the concerned at risk patient. These Apps have potential to assist both the patient and the urologist alike. The PCa risk calculator App 'predictability' may be further enhanced by the incorporation of newly validated risk factors and predictors for PCa.

Energy levels and radiative rates for transitions in Fe V, Co VI and Ni VII

NASA Astrophysics Data System (ADS)

Aggarwal, K. M.; Bogdanovich, P.; Keenan, F. P.; Kisielius, R.

2017-03-01

Energy levels, Landé g-factors and radiative lifetimes are reported for the lowest 182 levels of the 3d4, 3d34s and 3d34p configurations of Fe V, Co VI and Ni VII. Additionally, radiative rates (A-values) have been calculated for the E1, E2 and M1 transitions among these levels. The calculations have been performed in a quasi-relativistic approach (QR) with a very large configuration interaction (CI) wavefunction expansion, which has been found to be necessary for these ions. Our calculated energies for all ions are in excellent agreement with the available measurements, for most levels. Discrepancies among various calculations for the radiative rates of E1 transitions in Fe V are up to a factor of two for stronger transitions (f ≥ 0.1), and larger (over an order of magnitude) for weaker ones. The reasons for these discrepancies have been discussed and mainly are due to the differing amount of CI and methodologies adopted. However, there are no appreciable discrepancies in similar data for M1 and E2 transitions, or the g-factors for the levels of Fe V, the only ion for which comparisons are feasible.

Effect of Fuel Injection and Mixing Characteristics on Pulse-Combustor Performance at High-Pressure

NASA Technical Reports Server (NTRS)

Yungster, Shaye; Paxson, Daniel E.; Perkins, Hugh D.

2014-01-01

Recent calculations of pulse-combustors operating at high-pressure conditions produced pressure gains significantly lower than those observed experimentally and computationally at atmospheric conditions. The factors limiting the pressure-gain at high-pressure conditions are identified, and the effects of fuel injection and air mixing characteristics on performance are investigated. New pulse-combustor configurations were developed, and the results show that by suitable changes to the combustor geometry, fuel injection scheme and valve dynamics the performance of the pulse-combustor operating at high-pressure conditions can be increased to levels comparable to those observed at atmospheric conditions. In addition, the new configurations can significantly reduce the levels of NOx emissions. One particular configuration resulted in extremely low levels of NO, producing an emission index much less than one, although at a lower pressure-gain. Calculations at representative cruise conditions demonstrated that pulse-combustors can achieve a high level of performance at such conditions.

[Analysis and experimental verification of sensitivity and SNR of laser warning receiver].

PubMed

Zhang, Ji-Long; Wang, Ming; Tian, Er-Ming; Li, Xiao; Wang, Zhi-Bin; Zhang, Yue

2009-01-01

In order to countermeasure increasingly serious threat from hostile laser in modern war, it is urgent to do research on laser warning technology and system, and the sensitivity and signal to noise ratio (SNR) are two important performance parameters in laser warning system. In the present paper, based on the signal statistical detection theory, a method for calculation of the sensitivity and SNR in coherent detection laser warning receiver (LWR) has been proposed. Firstly, the probabilities of the laser signal and receiver noise were analyzed. Secondly, based on the threshold detection theory and Neyman-Pearson criteria, the signal current equation was established by introducing detection probability factor and false alarm rate factor, then, the mathematical expressions of sensitivity and SNR were deduced. Finally, by using method, the sensitivity and SNR of the sinusoidal grating laser warning receiver developed by our group were analyzed, and the theoretic calculation and experimental results indicate that the SNR analysis method is feasible, and can be used in performance analysis of LWR.

Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

NASA Astrophysics Data System (ADS)

Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

2017-01-01

Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

Reactor Pressure Vessel Fracture Analysis Capabilities in Grizzly

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

Spencer, Benjamin; Backman, Marie; Chakraborty, Pritam

2015-03-01

Efforts have been underway to develop fracture mechanics capabilities in the Grizzly code to enable it to be used to perform deterministic fracture assessments of degraded reactor pressure vessels (RPVs). Development in prior years has resulted a capability to calculate -integrals. For this application, these are used to calculate stress intensity factors for cracks to be used in deterministic linear elastic fracture mechanics (LEFM) assessments of fracture in degraded RPVs. The -integral can only be used to evaluate stress intensity factors for axis-aligned flaws because it can only be used to obtain the stress intensity factor for pure Mode Imore » loading. Off-axis flaws will be subjected to mixed-mode loading. For this reason, work has continued to expand the set of fracture mechanics capabilities to permit it to evaluate off-axis flaws. This report documents the following work to enhance Grizzly’s engineering fracture mechanics capabilities for RPVs: • Interaction Integral and -stress: To obtain mixed-mode stress intensity factors, a capability to evaluate interaction integrals for 2D or 3D flaws has been developed. A -stress evaluation capability has been developed to evaluate the constraint at crack tips in 2D or 3D. Initial verification testing of these capabilities is documented here. • Benchmarking for axis-aligned flaws: Grizzly’s capabilities to evaluate stress intensity factors for axis-aligned flaws have been benchmarked against calculations for the same conditions in FAVOR. • Off-axis flaw demonstration: The newly-developed interaction integral capabilities are demon- strated in an application to calculate the mixed-mode stress intensity factors for off-axis flaws. • Other code enhancements: Other enhancements to the thermomechanics capabilities that relate to the solution of the engineering RPV fracture problem are documented here.« less

Interference Fit Life Factors for Roller Bearings

NASA Technical Reports Server (NTRS)

Oswald, Fred B.; Zaretsky, Erwin V.; Poplawski, Joseph V.

2008-01-01

The effect of hoop stresses in reducing cylindrical roller bearing fatigue life was determined for various classes of inner ring interference fit. Calculations were performed for up to seven interference fit classes for each of ten bearing sizes. Each fit was taken at tightest, average and loosest values within the fit class for RBEC-5 tolerance, thus requiring 486 separate analyses. The hoop stresses were superimposed on the Hertzian principal stresses created by the applied radial load to calculate roller bearing fatigue life. The method was developed through a series of equations to calculate the life reduction for cylindrical roller bearings based on interference fit. All calculated lives are for zero initial bearing internal clearance. Any reduction in bearing clearance due to interference fit was compensated by increasing the initial (unmounted) clearance. Results are presented as tables and charts of life factors for bearings with light, moderate and heavy loads and interference fits ranging from extremely light to extremely heavy and for bearing accuracy class RBEC 5 (ISO class 5). Interference fits on the inner bearing ring of a cylindrical roller bearing can significantly reduce bearing fatigue life. In general, life factors are smaller (lower life) for bearings running under light load where the unfactored life is highest. The various bearing series within a particular bore size had almost identical interference fit life factors for a particular fit. The tightest fit at the high end of the RBEC-5 tolerance band defined in ANSI/ABMA shaft fit tables produces a life factor of approximately 0.40 for an inner-race maximum Hertz stress of 1200 MPa (175 ksi) and a life factor of 0.60 for an inner-race maximum Hertz stress of 2200 MPa (320 ksi). Interference fits also impact the maximum Hertz stress-life relation.

Distributed Factorization Computation on Multiple Volunteered Mobile Resource to Break RSA Key

NASA Astrophysics Data System (ADS)

Jaya, I.; Hardi, S. M.; Tarigan, J. T.; Zamzami, E. M.; Sihombing, P.

2017-01-01

Similar to common asymmeric encryption, RSA can be cracked by usmg a series mathematical calculation. The private key used to decrypt the massage can be computed using the public key. However, finding the private key may require a massive amount of calculation. In this paper, we propose a method to perform a distributed computing to calculate RSA’s private key. The proposed method uses multiple volunteered mobile devices to contribute during the calculation process. Our objective is to demonstrate how the use of volunteered computing on mobile devices may be a feasible option to reduce the time required to break a weak RSA encryption and observe the behavior and running time of the application on mobile devices.

Meson electro-/photo-production from QCD

DOE PAGES

Briceno, Raul A.

2016-07-02

I present the calculation of themore » $$\\pi^+\\gamma^\\star\\to\\pi^+\\pi^0$$ transition amplitude from quantum chromodynamics performed by the Hadron Spectrum Collaboration. The amplitude is determined for a range of values of the photon virtuality and the final state energy. One observes a clear dynamical enhancement due to the presence of the $$\\rho$$ resonance. By fitting the transition amplitude and analytically continuing it onto the $$\\rho$$-pole, the $$\\rho\\to\\pi\\gamma^\\star$$ form factor is obtained. This exploratory calculation, performed using lattice quantum chromodynamics, constitutes the very first determination of an electroweak decay of a hadronic resonance directly from the fundamental theory of quarks and gluons. In this talk, I highlight some of the necessary steps that made this calculation possible, placing emphasis on recently developed formalism. In conclusion, I discuss the status and outlook of the field for the study of $$N\\gamma^\\star\\to N^\\star\\to N\\pi$$ transitions.« less

Deformed shell model study of event rates for WIMP-73Ge scattering

NASA Astrophysics Data System (ADS)

Sahu, R.; Kota, V. K. B.

2017-12-01

The event detection rates for the Weakly Interacting Massive Particles (WIMP) (a dark matter candidate) are calculated with 73Ge as the detector. The calculations are performed within the deformed shell model (DSM) based on Hartree-Fock states. First, the energy levels and magnetic moment for the ground state and two low-lying positive parity states for this nucleus are calculated and compared with experiment. The agreement is quite satisfactory. Then the nuclear wave functions are used to investigate the elastic and inelastic scattering of WIMP from 73Ge; inelastic scattering, especially for the 9/2+ → 5/2+ transition, is studied for the first time. The nuclear structure factors which are independent of supersymmetric model are also calculated as a function of WIMP mass. The event rates are calculated for a given set of nucleonic current parameters. The calculation shows that 73Ge is a good detector for detecting dark matter.

Self-diffusion in MgO--a density functional study.

PubMed

Runevall, Odd; Sandberg, Nils

2011-08-31

Density functional theory calculations have been performed to study self-diffusion in magnesium oxide, a model material for a wide range of ionic compounds. Formation energies and entropies of Schottky defects and divacancies were obtained by means of total energy and phonon calculations in supercell configurations. Transition state theory was used to estimate defect migration rates, with migration energies taken from static calculations, and the corresponding frequency factors estimated from the phonon spectrum. In all static calculations we corrected for image effects using either a multipole expansion or an extrapolation to the low concentration limit. It is shown that both methods give similar results. The results for self-diffusion of Mg and O confirm the previously established picture, namely that in materials of nominal purity, Mg diffuses extrinsically by a single vacancy mechanism, while O diffuses intrinsically by a divacancy mechanism. Quantitatively, the current results are in very good agreement with experiments concerning O diffusion, while for Mg the absolute diffusion rate is generally underestimated by a factor of 5-10. The reason for this discrepancy is discussed.

Experimental 64Zn(d⃗,t)63Zn spectroscopic factors: Guidance for isospin-symmetry-breaking calculations

NASA Astrophysics Data System (ADS)

Leach, K. G.; Garrett, P. E.; Towner, I. S.; Ball, G. C.; Bildstein, V.; Brown, B. A.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Krücken, R.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wirth, H.-F.; Wong, J.

2013-06-01

With the recent inclusion of core orbitals to the radial-overlap component of the isospin-symmetry-breaking (ISB) corrections for superallowed Fermi β decay, experimental data are needed to test the validity of the theoretical model. This work reports measurements of single-neutron pickup reaction spectroscopic factors into 63Zn, one neutron away from 62Zn, the superallowed daughter of 62Ga. The experiment was performed using a 22-MeV polarized deuteron beam, a Q3D magnetic spectrograph, and a cathode-strip focal-plane detector to analyze outgoing tritons at nine angles between 10∘ and 60∘. Angular distributions and vector analyzing powers were obtained for all 162 observed states in 63Zn, including 125 newly observed levels, up to an excitation energy of 4.8 MeV. Spectroscopic factors are extracted and compared to several shell-model predictions, and implications for the ISB calculations are discussed.

Zeeman interaction in the Δ31 state of HfF+ to search for the electron electric dipole moment

NASA Astrophysics Data System (ADS)

Petrov, A. N.; Skripnikov, L. V.; Titov, A. V.

2017-08-01

A theoretical study devoted to suppression of magnetic systematic effects in HfF+ cation for an experiment to search for the electron electric dipole moment is reported. The g factors for J =1 , F =3 /2 , | MF|=3 /2 hyperfine levels of the Δ31 state are calculated as functions of the external electric field. The minimal value for the difference between the g factors of Ω -doublet levels, Δ g =3 ×10-6 , is attained at the electric field 7 V/cm. The body-fixed g factor, G∥, was obtained both within the ab initio electronic structure calculations and with our fit of the experimental data [H. Loh, K. C. Cossel, M. C. Grau, K.-K. Ni, E. R. Meyer, J. L. Bohn, J. Ye, and E. A. Cornell, Science 342, 1220 (2013), 10.1126/science.1243683]. For the electronic structure calculations we used a combined scheme to perform correlation calculations of HfF+, which includes both the direct four-component all-electron and generalized relativistic effective core potential approaches. The electron correlation effects were treated using the coupled cluster methods. The calculated value G∥=0.0115 agrees very well with the G∥=0.0118 obtained with our fitting procedure. The calculated ab initio value D∥=-1.53 a.u. for the molecule-frame dipole moment (with the origin in the center of mass) is in agreement with the experimental datum D∥=-1.54 (1 ) a.u. [H. Loh, Ph.D. thesis, Massachusetts Institute of Technology, 2006.].

Speeding up GW Calculations to Meet the Challenge of Large Scale Quasiparticle Predictions

PubMed Central

Gao, Weiwei; Xia, Weiyi; Gao, Xiang; Zhang, Peihong

2016-01-01

Although the GW approximation is recognized as one of the most accurate theories for predicting materials excited states properties, scaling up conventional GW calculations for large systems remains a major challenge. We present a powerful and simple-to-implement method that can drastically accelerate fully converged GW calculations for large systems, enabling fast and accurate quasiparticle calculations for complex materials systems. We demonstrate the performance of this new method by presenting the results for ZnO and MgO supercells. A speed-up factor of nearly two orders of magnitude is achieved for a system containing 256 atoms (1024 valence electrons) with a negligibly small numerical error of ±0.03 eV. Finally, we discuss the application of our method to the GW calculations for 2D materials. PMID:27833140

Cardiovascular risk factors associated with lower baseline cognitive performance in HIV-positive persons.

PubMed

Wright, E J; Grund, B; Robertson, K; Brew, B J; Roediger, M; Bain, M P; Drummond, F; Vjecha, M J; Hoy, J; Miller, C; Penalva de Oliveira, A C; Pumpradit, W; Shlay, J C; El-Sadr, W; Price, R W

2010-09-07

To determine factors associated with baseline neurocognitive performance in HIV-infected participants enrolled in the Strategies for Management of Antiretroviral Therapy (SMART) neurology substudy. Participants from Australia, North America, Brazil, and Thailand were administered a 5-test neurocognitive battery. Z scores and the neurocognitive performance outcome measure, the quantitative neurocognitive performance z score (QNPZ-5), were calculated using US norms. Neurocognitive impairment was defined as z scores <-2 in two or more cognitive domains. Associations of test scores, the QNPZ-5, and impairment with baseline factors including demographics and risk factors for HIV-associated dementia (HAD) and cardiovascular disease (CVD) were determined in multiple regression. The 292 participants had a median CD4 cell count of 536 cells/mm(3), 88% had an HIV viral load < or =400 copies/mL, and 92% were taking antiretrovirals. Demographics, HIV, and clinical factors differed between locations. The mean QNPZ-5 score was -0.72; 14% of participants had neurocognitive impairment. For most tests, scores and z scores differed significantly between locations, with and without adjustment for age, sex, education, and race. Prior CVD was associated with neurocognitive impairment. Prior CVD, hypercholesterolemia, and hypertension were associated with poorer neurocognitive performance but conventional HAD risk factors and the CNS penetration effectiveness rank of antiretroviral regimens were not. In this HIV-positive population with high CD4 cell counts, neurocognitive impairment was associated with prior CVD. Lower neurocognitive performance was associated with prior CVD, hypertension, and hypercholesterolemia, but not conventional HAD risk factors. The contribution of CVD and cardiovascular risk factors to the neurocognition of HIV-positive populations warrants further investigation.

[Developing Perceived Competence Scale (PCS) for Adolescents].

PubMed

Özer, Arif; Gençtanirim Kurt, Dilek; Kizildağ, Seval; Demırtaş Zorbaz, Selen; Arici Şahın, Fatma; Acar, Tülin; Ergene, Tuncay

2016-01-01

In this study, Perceived Competence Scale was developed to measure high school students' perceived competence. Scale development process was verified on three different samples. Participants of the research are some high school students in 2011-2012 academic terms from Ankara. Participants' numbers are incorporated in exploratory factor analysis, confirmatory factor analysis and test-retest reliability respectively, as follows: 372, 668 and 75. Internal consistency coefficients (Cronbach's and stratified α) are calculated separately for each group. For data analysis Factor 8.02 and LISREL 8.70 package programs were used. According to results of the analyses, internal consistency coefficients (α) are .90 - .93 for academic competence, .82 - .86 for social competence in the samples that exploratory and confirmatory factor analysis performed. For the whole scale internal consistency coefficient (stratified α) is calculated as .91. As a result of test-retest reliability, adjusted correlation coefficients (r) are .94 for social competence and .90 for academic competence. In addition, to fit indexes and regression weights obtained from factor analysis, findings related convergent and discriminant validity, indicating that competence can be addressed in two dimensions which are academic (16 items) and social (14 items).

Oscillating flow loss test results in Stirling engine heat exchangers

NASA Technical Reports Server (NTRS)

Koester, G.; Howell, S.; Wood, G.; Miller, E.; Gedeon, D.

1990-01-01

The results are presented for a test program designed to generate a database of oscillating flow loss information that is applicable to Stirling engine heat exchangers. The tests were performed on heater/cooler tubes of various lengths and entrance/exit configurations, on stacked and sintered screen regenerators of various wire diameters and on Brunswick and Metex random fiber regenerators. The test results were performed over a range of oscillating flow parameters consistent with Stirling engine heat exchanger experience. The tests were performed on the Sunpower oscillating flow loss rig which is based on a variable stroke and variable frequency linear drive motor. In general, the results are presented by comparing the measured oscillating flow losses to the calculated flow losses. The calculated losses are based on the cycle integration of steady flow friction factors and entrance/exit loss coefficients.

Reduced partition function ratios of iron and oxygen in goethite

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

Blanchard, M.; Dauphas, N.; Hu, M. Y.

2015-02-01

First-principles calculations based on the density functional theory (DFT) with or without the addition of a Hubbard U correction, are performed on goethite in order to determine the iron and oxygen reduced partition function ratios (beta-factors). The calculated iron phonon density of states (pDOS), force constant and beta-factor are compared with reevaluated experimental beta-factors obtained from Nuclear Resonant Inelastic X-ray Scattering (NRIXS) measurements. The reappraisal of old experimental data is motivated by the erroneous previous interpretation of the low- and high-energy ends of the NRIXS spectrum of goethite and jarosite samples (Dauphas et al., 2012). Here the NRIXS data aremore » analyzed using the SciPhon software that corrects for non-constant baseline. New NRIXS measurements also demonstrate the reproducibility of the results. Unlike for hematite and pyrite, a significant discrepancy remains between DFT, NRIXS and the existing Mossbauer-derived data. Calculations suggest a slight overestimation of the NRIXS signal possibly related to the baseline definition. The intrinsic features of the samples studied by NRIXS and Mossbauer spectroscopy may also contribute to the discrepancy (e. g., internal structural and/or chemical defects, microstructure, surface contribution). As for oxygen, DFT results indicate that goethite and hematite have similar beta-factors, which suggests almost no fractionation between the two minerals at equilibrium.« less

Measurement and comparison of Bangkok diesel bus emissions and performance using on-board equipment

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

Burnette, A.D.; Kishan, S.; Wangwongwatana, S.

1997-12-31

An on-board measurement system was assembled and used to compare the emissions and performance of buses in Bangkok, Thailand under actual driving conditions. Three similar buses were compared: one using an engine without special emissions control design, one with an engine meeting Euro 1 standards, and one with an engine meeting Euro 2 standards. As the buses drove their routes, second-by-second data were collected for engine rpm, throttle position, vehicle speed, exhaust concentrations of hydrocarbons, carbon monoxide, carbon dioxide, oxygen, nitric oxide, and exhaust opacity. Vehicle performance data were calculated using algorithms developed during previous driving studies in Bangkok. Grammore » per liter of fuel used emission factors were developed for gaseous pollutants using combustion calculations and these were translated into gram per kilometer traveled emission factors using the fuel efficiency data for the buses. Smoke data were left in terms of opacity. Test results are designed to be used to compare the cost benefit of upgrading buses with no emissions controls to Euro 1 or Euro 2 technologies. Ongoing tests will help bus companies determine the benefit of incremental improvements to bus engines and other emissions reduction strategies.« less

Λ_{c}→Λl^{+}ν_{l} Form Factors and Decay Rates from Lattice QCD with Physical Quark Masses.

PubMed

Meinel, Stefan

2017-02-24

The first lattice QCD calculation of the form factors governing Λ_{c}→Λℓ^{+}ν_{ℓ} decays is reported. The calculation was performed with two different lattice spacings and includes one ensemble with a pion mass of 139(2) MeV. The resulting predictions for the Λ_{c}→Λe^{+}ν_{e} and Λ_{c}→Λμ^{+}ν_{μ} decay rates divided by |V_{cs}|^{2} are 0.2007(71)(74) and 0.1945(69)(72)  ps^{-1}, respectively, where the two uncertainties are statistical and systematic. Taking the Cabibbo-Kobayashi-Maskawa (CKM) matrix element |V_{cs}| from a global fit and the Λ_{c} lifetime from experiments, this translates to branching fractions of B(Λ_{c}→Λe^{+}ν_{e})=0.0380(19)_{LQCD}(11)_{τ_{Λ_{c}}} and B(Λ_{c}→Λμ^{+}ν_{μ})=0.0369(19)_{LQCD}(11)_{τ_{Λ_{c}}}. These results are consistent with, and two times more precise than, the measurements performed recently by the BESIII Collaboration. Using instead the measured branching fractions together with the lattice calculation to determine the CKM matrix element gives |V_{cs}|=0.949(24)_{LQCD}(14)_{τ_{Λ_{c}}}(49)_{B}.

Method and computer program product for maintenance and modernization backlogging

DOEpatents

Mattimore, Bernard G; Reynolds, Paul E; Farrell, Jill M

2013-02-19

According to one embodiment, a computer program product for determining future facility conditions includes a computer readable medium having computer readable program code stored therein. The computer readable program code includes computer readable program code for calculating a time period specific maintenance cost, for calculating a time period specific modernization factor, and for calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. In another embodiment, a computer-implemented method for calculating future facility conditions includes calculating a time period specific maintenance cost, calculating a time period specific modernization factor, and calculating a time period specific backlog factor. Future facility conditions equal the time period specific maintenance cost plus the time period specific modernization factor plus the time period specific backlog factor. Other embodiments are also presented.

Experimental determination of field factors (\\Omega _{{{Q}_{\\text{clin}}},{{Q}_{\\text{msr}}}}^{{{f}_{\\text{clin}}},{{f}_{\\text{msr}}}} ) for small radiotherapy beams using the daisy chain correction method

NASA Astrophysics Data System (ADS)

Lárraga-Gutiérrez, José Manuel

2015-08-01

Recently, Alfonso et al proposed a new formalism for the dosimetry of small and non-standard fields. The proposed new formalism is strongly based on the calculation of detector-specific beam correction factors by Monte Carlo simulation methods, which accounts for the difference in the response of the detector between the small and the machine specific reference field. The correct calculation of the detector-specific beam correction factors demands an accurate knowledge of the linear accelerator, detector geometry and composition materials. The present work shows that the field factors in water may be determined experimentally using the daisy chain correction method down to a field size of 1 cm  ×  1 cm for a specific set of detectors. The detectors studied were: three mini-ionization chambers (PTW-31014, PTW-31006, IBA-CC01), three silicon-based diodes (PTW-60018, IBA-SFD and IBA-PFD) and one synthetic diamond detector (PTW-60019). Monte Carlo simulations and experimental measurements were performed for a 6 MV photon beam at 10 cm depth in water with a source-to-axis distance of 100 cm. The results show that the differences between the experimental and Monte Carlo calculated field factors are less than 0.5%—with the exception of the IBA-PFD—for field sizes between 1.5 cm  ×  1.5 cm and 5 cm  ×  5 cm. For the 1 cm  ×  1 cm field size, the differences are within 2%. By using the daisy chain correction method, it is possible to determine measured field factors in water. The results suggest that the daisy chain correction method is not suitable for measurements performed with the IBA-PFD detector. The latter is due to the presence of tungsten powder in the detector encapsulation material. The use of Monte Carlo calculated k{{Q\\text{clin}},{{Q}\\text{msr}}}{{f\\text{clin}},{{f}\\text{msr}}} is encouraged for field sizes less than or equal to 1 cm  ×  1 cm for the dosimeters used in this work.

Prospective multi-institutional study evaluating the performance of prostate cancer risk calculators.

PubMed

Nam, Robert K; Kattan, Michael W; Chin, Joseph L; Trachtenberg, John; Singal, Rajiv; Rendon, Ricardo; Klotz, Laurence H; Sugar, Linda; Sherman, Christopher; Izawa, Jonathan; Bell, David; Stanimirovic, Aleksandra; Venkateswaran, Vasundara; Diamandis, Eleftherios P; Yu, Changhong; Loblaw, D Andrew; Narod, Steven A

2011-08-01

Prostate cancer risk calculators incorporate many factors to evaluate an individual's risk for prostate cancer. We validated two common North American-based, prostate cancer risk calculators. We conducted a prospective, multi-institutional study of 2,130 patients who underwent a prostate biopsy for prostate cancer detection from five centers. We evaluated the performance of the Sunnybrook nomogram-based prostate cancer risk calculator (SRC) and the Prostate Cancer Prevention Trial (PCPT) -based risk calculator (PRC) to predict the presence of any cancer and high-grade cancer. We examined discrimination, calibration, and decision curve analysis techniques to evaluate the prediction models. Of the 2,130 patients, 867 men (40.7%) were found to have cancer, and 1,263 (59.3%) did not have cancer. Of the patients with cancer, 403 (46.5%) had a Gleason score of 7 or more. The area under the [concentration-time] curve (AUC) for the SRC was 0.67 (95% CI, 0.65 to 0.69); the AUC for the PRC was 0.61 (95% CI, 0.59 to 0.64). The AUC was higher for predicting aggressive disease from the SRC (0.72; 95% CI, 0.70 to 0.75) compared with that from the PRC (0.67; 95% CI, 0.64 to 0.70). Decision curve analyses showed that the SRC performed better than the PRC for risk thresholds of more than 30% for any cancer and more than 15% for aggressive cancer. The SRC performed better than the PRC, but neither one added clinical benefit for risk thresholds of less than 30%. Further research is needed to improve the AUCs of the risk calculators, particularly for higher-grade cancer.

Structural analysis of a reflux pool-boiler solar receiver

NASA Astrophysics Data System (ADS)

Hoffman, E. L.; Stone, C. M.

1991-06-01

Coupled thermal-structural finite element calculations of a reflux pool-boiler solar receiver were performed to characterize the operating stresses and to address issues affecting the service life of the receiver. Analyses performed using shell elements provided information for receiver material selection and design optimization. Calculations based on linear elastic fracture mechanics principles were performed using continuum elements to assess the vulnerability of a seam-weld to fatigue crack growth. All calculations were performed using ABAQUS, a general purpose finite element code, and elements specifically formulated for coupled thermal-structural analysis. Two materials were evaluated: 316L SS and Haynes 230 alloys. The receiver response was simulated for a combination of structural and thermal loads that represent the startup and operating conditions of the receiver. For both materials, maximum stresses in the receiver developed shortly after startup due to uneven temperature distribution across the receiver surface. The largest effective stress was near yield in the 316L SS receiver and below 39 percent of yield in the Haynes 230 receiver. The calculations demonstrated that stress reductions of over 25 percent could be obtained by reducing the aft dome thickness to one closer to the absorber. The fatigue calculations demonstrated that the stress distribution near the seam-weld notch depends primarily on the structural load created by internal pressurization of the receiver rather than the thermal, indicating that the thermal loads can be neglected when assessing the stress intensity near the seam-weld notch. The stress intensity factor, computed using the J-integral method and crack opening-displacement field equations, was significantly below the fatigue threshold for most steels. The calculations indicated that the weld notch was always loaded in compression, a condition which is not conducive to fatigue crack growth.

SU-E-T-552: Monte Carlo Calculation of Correction Factors for a Free-Air Ionization Chamber in Support of a National Air-Kerma Standard for Electronic Brachytherapy

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

Mille, M; Bergstrom, P

2015-06-15

Purpose: To use Monte Carlo radiation transport methods to calculate correction factors for a free-air ionization chamber in support of a national air-kerma standard for low-energy, miniature x-ray sources used for electronic brachytherapy (eBx). Methods: The NIST is establishing a calibration service for well-type ionization chambers used to characterize the strength of eBx sources prior to clinical use. The calibration approach involves establishing the well-chamber’s response to an eBx source whose air-kerma rate at a 50 cm distance is determined through a primary measurement performed using the Lamperti free-air ionization chamber. However, the free-air chamber measurements of charge or currentmore » can only be related to the reference air-kerma standard after applying several corrections, some of which are best determined via Monte Carlo simulation. To this end, a detailed geometric model of the Lamperti chamber was developed in the EGSnrc code based on the engineering drawings of the instrument. The egs-fac user code in EGSnrc was then used to calculate energy-dependent correction factors which account for missing or undesired ionization arising from effects such as: (1) attenuation and scatter of the x-rays in air; (2) primary electrons escaping the charge collection region; (3) lack of charged particle equilibrium; (4) atomic fluorescence and bremsstrahlung radiation. Results: Energy-dependent correction factors were calculated assuming a monoenergetic point source with the photon energy ranging from 2 keV to 60 keV in 2 keV increments. Sufficient photon histories were simulated so that the Monte Carlo statistical uncertainty of the correction factors was less than 0.01%. The correction factors for a specific eBx source will be determined by integrating these tabulated results over its measured x-ray spectrum. Conclusion: The correction factors calculated in this work are important for establishing a national standard for eBx which will help ensure that dose is accurately and consistently delivered to patients.« less

Comparative Study between Measurement Data and Treatment Planning System (TPS) in Small Fields for High Energy Photon Beams.

PubMed

El Shahat, Khaled; El Saeid, Aziza; Attalla, Ehab; Yassin, Adel

2014-01-01

To achieve tumor control for radiotherapy, a dose distribution is planned which has a good chance of sterilizing all cancer cells without causing unacceptable normal tissue complications. The aim of the present study was to achieve an accurate calculation of dose for small field dimensions and perform this by evaluating the accuracy of planning system calculation. This will be compared with real measurement of dose for the same small field dimensions using different detectors. Practical work was performed in two steps: (i) determination of the physical factors required for dose estimation measured by three ionization chambers and calculated by treatment planning system (TPS) based on the latest technical report series (IAEATRS-398) and (ii) comparison of the calculated and measured data. Our data analysis for small field is irradiated by photon energy matched with the data obtained from the ionization chambers and the treatment planning system. Radiographic films were used as an additional detector for the obtained data and showed matching with TPS calculation. It can be concluded that studied small field dimensions were averaged 6% and 4% for 6 MV and 15 MV, respectively. Radiographic film measurements showed a variation in results within ±2% than TPS calculation.

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

Yang, Y M; Bush, K; Han, B

Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) methodmore » that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high performance dose calculation in modern RT. The approach is generalizable to all modalities where heterogeneities play a large role, notably particle therapy.« less

Small field detector correction factors kQclin,Qmsr (fclin,fmsr) for silicon-diode and diamond detectors with circular 6 MV fields derived using both empirical and numerical methods.

PubMed

O'Brien, D J; León-Vintró, L; McClean, B

2016-01-01

The use of radiotherapy fields smaller than 3 cm in diameter has resulted in the need for accurate detector correction factors for small field dosimetry. However, published factors do not always agree and errors introduced by biased reference detectors, inaccurate Monte Carlo models, or experimental errors can be difficult to distinguish. The aim of this study was to provide a robust set of detector-correction factors for a range of detectors using numerical, empirical, and semiempirical techniques under the same conditions and to examine the consistency of these factors between techniques. Empirical detector correction factors were derived based on small field output factor measurements for circular field sizes from 3.1 to 0.3 cm in diameter performed with a 6 MV beam. A PTW 60019 microDiamond detector was used as the reference dosimeter. Numerical detector correction factors for the same fields were derived based on calculations from a geant4 Monte Carlo model of the detectors and the Linac treatment head. Semiempirical detector correction factors were derived from the empirical output factors and the numerical dose-to-water calculations. The PTW 60019 microDiamond was found to over-respond at small field sizes resulting in a bias in the empirical detector correction factors. The over-response was similar in magnitude to that of the unshielded diode. Good agreement was generally found between semiempirical and numerical detector correction factors except for the PTW 60016 Diode P, where the numerical values showed a greater over-response than the semiempirical values by a factor of 3.7% for a 1.1 cm diameter field and higher for smaller fields. Detector correction factors based solely on empirical measurement or numerical calculation are subject to potential bias. A semiempirical approach, combining both empirical and numerical data, provided the most reliable results.

A program for the calculation of paraboloidal-dish solar thermal power plant performance

NASA Technical Reports Server (NTRS)

Bowyer, J. M., Jr.

1985-01-01

A program capable of calculating the design-point and quasi-steady-state annual performance of a paraboloidal-concentrator solar thermal power plant without energy storage was written for a programmable calculator equipped with suitable printer. The power plant may be located at any site for which a histogram of annual direct normal insolation is available. Inputs required by the program are aperture area and the design and annual efficiencies of the concentrator; the intercept factor and apparent efficiency of the power conversion subsystem and a polynomial representation of its normalized part-load efficiency; the efficiency of the electrical generator or alternator; the efficiency of the electric power conditioning and transport subsystem; and the fractional parasitic loses for the plant. Losses to auxiliaries associated with each individual module are to be deducted when the power conversion subsystem efficiencies are calculated. Outputs provided by the program are the system design efficiency, the annualized receiver efficiency, the annualized power conversion subsystem efficiency, total annual direct normal insolation received per unit area of concentrator aperture, and the system annual efficiency.

Stress Intensity Factors of Semi-Circular Bend Specimens with Straight-Through and Chevron Notches

NASA Astrophysics Data System (ADS)

Ayatollahi, M. R.; Mahdavi, E.; Alborzi, M. J.; Obara, Y.

2016-04-01

Semi-circular bend specimen is one of the useful test specimens for determining fracture toughness of rock and geo-materials. Generally, in rock test specimens, initial cracks are produced in two shapes: straight-edge cracks and chevron notches. In this study, the minimum dimensionless stress intensity factors of semi-circular bend specimen (SCB) with straight-through and chevron notches are calculated. First, using finite element analysis, a suitable relation for the dimensionless stress intensity factor of SCB with straight-through crack is presented based on the normalized crack length and half-distance between supports. For evaluating the validity and accuracy of this relation, the obtained results are then compared with numerical and experimental results reported in the literature. Subsequently, by performing some experiments and also finite element analysis of the SCB specimen with chevron notch, the minimum dimensionless stress intensity factor of this specimen is obtained. Using the new equation for the dimensionless stress intensity factor of SCB with straight-through crack and an analytical method, i.e., Bluhm's slice synthesis method, the minimum (critical) dimensionless stress intensity factor of chevron notched semi-circular bend specimens is calculated. Good agreement is observed between the results of two mentioned methods.

Exhaust particle and NOx emission performance of an SCR heavy duty truck operating in real-world conditions

NASA Astrophysics Data System (ADS)

Saari, Sampo; Karjalainen, Panu; Ntziachristos, Leonidas; Pirjola, Liisa; Matilainen, Pekka; Keskinen, Jorma; Rönkkö, Topi

2016-02-01

Particle and NOx emissions of an SCR equipped HDD truck were studied in real-world driving conditions using the "Sniffer" mobile laboratory. Real-time CO2 measurement enables emission factor calculation for NOx and particles. In this study, we compared three different emission factor calculation methods and characterised their suitability for real-world chasing experiments. The particle number emission was bimodal and dominated by the nucleation mode particles (diameter below 23 nm) having emission factor up to 1 × 1015 #/kgfuel whereas emission factor for soot (diameter above 23 nm that is consistent with the PMP standard) was typically 1 × 1014 #/kgfuel. The effect of thermodenuder on the exhaust particles indicated that the nucleation particles consisted mainly of volatile compounds, but sometimes there also existed a non-volatile core. The nucleation mode particles are not controlled by current regulations in Europe. However, these particles consistently form under atmospheric dilution in the plume of the truck and constitute a health risk for the human population that is exposed to those. Average NOx emission was 3.55 g/kWh during the test, whereas the Euro IV emission limit over transient testing is 3.5 g NOx/kWh. The on-road emission performance of the vehicle was very close to the expected levels, confirming the successful operation of the SCR system of the tested vehicle. Heavy driving conditions such as uphill driving increased both the NOx and particle number emission factors whereas the emission factor for soot particle number remains rather constant.

Ecological footprint model using the support vector machine technique.

PubMed

Ma, Haibo; Chang, Wenjuan; Cui, Guangbai

2012-01-01

The per capita ecological footprint (EF) is one of the most widely recognized measures of environmental sustainability. It aims to quantify the Earth's biological resources required to support human activity. In this paper, we summarize relevant previous literature, and present five factors that influence per capita EF. These factors are: National gross domestic product (GDP), urbanization (independent of economic development), distribution of income (measured by the Gini coefficient), export dependence (measured by the percentage of exports to total GDP), and service intensity (measured by the percentage of service to total GDP). A new ecological footprint model based on a support vector machine (SVM), which is a machine-learning method based on the structural risk minimization principle from statistical learning theory was conducted to calculate the per capita EF of 24 nations using data from 123 nations. The calculation accuracy was measured by average absolute error and average relative error. They were 0.004883 and 0.351078% respectively. Our results demonstrate that the EF model based on SVM has good calculation performance.

Electronic and Thermoelectric Properties of SnSe1-x S x (x = 0, 0.25, 0.5, 0.75, and 1) Alloys: First-Principles Calculations

NASA Astrophysics Data System (ADS)

Hamad, Bothina

2018-04-01

Ab initio investigations of the electronic and thermoelectric (TE) properties of SnSe1-x S x (x = 0, 0.25, 0.5, 0.75, and 1) alloys are performed using density functional theory. The TE properties are calculated using the semi-classical Boltzmann transport theory within the constant relaxation time approximation. Band gap values are found to range between 0.94 eV and 1.02 eV in agreement with the experimental findings and previous calculations. All alloys tend to exhibit p-type TE properties, indicated by a sharp peak near the Fermi level that indicates a heavy carrier concentration. Electrical conductivity is found to decrease, whereas the Seebeck coefficient and the power factor increase for higher concentrations. The three alloys, SnS, SnSe and SnSe0.75S0.25 alloys exhibit the same power factor of 3.5 × 10-3 W/m K2, which is promising for thermoelectric applications.

Can the prognosis of individual patients with glioblastoma be predicted using an online calculator?

PubMed Central

Parks, Christopher; Heald, James; Hall, Gregory; Kamaly-Asl, Ian

2013-01-01

Background In an exploratory subanalysis of the European Organisation for Research and Treatment of Cancer and National Cancer Institute of Canada (EORTC/NCIC) trial data, Gorlia et al. identified a variety of factors that were predictive of overall survival, including therapy administered, age, extent of surgery, mini-mental score, administration of corticosteroids, World Health Organization (WHO) performance status, and O-methylguanine-DNA methyltransferase (MGMT) promoter methylation status. Gorlia et al. developed 3 nomograms, each intended to predict the survival times of patients with newly diagnosed glioblastoma on the basis of individual-specific combinations of prognostic factors. These are available online as a “GBM Calculator” and are intended for use in patient counseling. This study is an external validation of this calculator. Method One hundred eighty-seven patients from 2 UK neurosurgical units who had histologically confirmed glioblastoma (WHO grade IV) had their information at diagnosis entered into the GBM calculator. A record was made of the actual and predicted median survival time for each patient. Statistical analysis was performed to assess the accuracy, precision, correlation, and discrimination of the calculator. Results The calculator gives both inaccurate and imprecise predictions. Only 23% of predictions were within 25% of the actual survival, and the percentage bias is 140% in our series. The coefficient of variance is 76%, where a smaller percentage would indicate greater precision. There is only a weak positive correlation between the predicted and actual survival among patients (R2 of 0.07). Discrimination is inadequate as measured by a C-index of 0.62. Conclusions The authors would not recommend the use of this tool in patient counseling. If departments were considering its use, we would advise that a similar validating exercise be undertaken. PMID:23543729

Development of a software based automatic exposure control system for use in image guided radiation therapy

NASA Astrophysics Data System (ADS)

Morton, Daniel R.

Modern image guided radiation therapy involves the use of an isocentrically mounted imaging system to take radiographs of a patient's position before the start of each treatment. Image guidance helps to minimize errors associated with a patients setup, but the radiation dose received by patients from imaging must be managed to ensure no additional risks. The Varian On-Board Imager (OBI) (Varian Medical Systems, Inc., Palo Alto, CA) does not have an automatic exposure control system and therefore requires exposure factors to be manually selected. Without patient specific exposure factors, images may become saturated and require multiple unnecessary exposures. A software based automatic exposure control system has been developed to predict optimal, patient specific exposure factors. The OBI system was modelled in terms of the x-ray tube output and detector response in order to calculate the level of detector saturation for any exposure situation. Digitally reconstructed radiographs are produced via ray-tracing through the patients' volumetric datasets that are acquired for treatment planning. The ray-trace determines the attenuation of the patient and subsequent x-ray spectra incident on the imaging detector. The resulting spectra are used in the detector response model to determine the exposure levels required to minimize detector saturation. Images calculated for various phantoms showed good agreement with the images that were acquired on the OBI. Overall, regions of detector saturation were accurately predicted and the detector response for non-saturated regions in images of an anthropomorphic phantom were calculated to generally be within 5 to 10 % of the measured values. Calculations were performed on patient data and found similar results as the phantom images, with the calculated images being able to determine detector saturation with close agreement to images that were acquired during treatment. Overall, it was shown that the system model and calculation method could potentially be used to predict patients' exposure factors before their treatment begins, thus preventing the need for multiple exposures.

Impact beyond the impact factor.

PubMed

Zupanc, Günther K H

2014-02-01

The journal impact factor is an annually calculated number for each scientific journal, based on the average number of times its articles published in the two preceding years have been cited. It was originally devised as a tool for librarians and publishers to provide information about the citation performance of a journal as a whole, but over the last few decades it has increasingly been used to assess the quality of specific articles and the research performance of individual investigators, institutions, and countries. In addition to this clear abuse of the journal impact factor, several conceptual and technical issues limit its usability as a measure of journal reputation, especially when journals are compared across different fields. An author's decision regarding the suitability of a scholarly journal for publication should, therefore, be based on the impact that this journal makes in the field of research, rather than on the journal impact factor.

Analysis of "D" regions of RC structures based on example of frame corners

NASA Astrophysics Data System (ADS)

Michał, Szczecina; Andrzej, Winnicki

2018-01-01

Calculations of reinforcement of "D" regions of reinforced concrete structures is much difficult than for "B" regions and demands some specific approaches. Authors of the paper suggest to use both Strut-and-Tie (S&T) and Finite Element Method (FEM). The first of those methods allows to calculate required reinforcement and efficiency factor. In turn FEM can not only confirm S&T results but also gives information about crack width and pattern, strains and nodal displacement. Sample calculations were performed on example of frame corners under opening bending moment. Parameters of Concrete Damaged Plasticity model of concrete implemented in Abaqus were calibrated in tension and compressions test.

A mathematical model for calculation of 90Sr absorbed dose in dental tissues: elaboration and comparison to EPR measurements.

PubMed

Shishkina, E A; Lyubashevskii, N M; Tolstykh, E I; Ignatiev, E A; Betenekova, T A; Nikiforov, S V

2001-09-01

A mathematical model for calculation of the 90Sr absorbed doses in dental tissues is presented. The results of the Monte-Carlo calculations are compared to the data obtained by EPR measurements of dental tissues. Radiometric measurements of the 90Sr concentrations. TLD and EPR dosimetry investigations were performed in animal (dog) study. The importance of the irregular 90Sr distribution in the dentine for absorbed dose formation has been shown. The dominant dose formation factors (main source-tissues) were identified for the crown dentine and enamel. The model has shown agreement with experimental data which allows to determine further directions of the human tooth model development.

Dispersive analysis of the pion transition form factor

NASA Astrophysics Data System (ADS)

Hoferichter, M.; Kubis, B.; Leupold, S.; Niecknig, F.; Schneider, S. P.

2014-11-01

We analyze the pion transition form factor using dispersion theory. We calculate the singly-virtual form factor in the time-like region based on data for the cross section, generalizing previous studies on decays and scattering, and verify our result by comparing to data. We perform the analytic continuation to the space-like region, predicting the poorly-constrained space-like transition form factor below , and extract the slope of the form factor at vanishing momentum transfer . We derive the dispersive formalism necessary for the extension of these results to the doubly-virtual case, as required for the pion-pole contribution to hadronic light-by-light scattering in the anomalous magnetic moment of the muon.

Assault frequency and preformation probability of the {alpha} emission process

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

Zhang, H. F.; Royer, G.; Li, J. Q.

2011-08-15

A study of the assault frequency and preformation factor of the {alpha}-decay description is performed from the experimental {alpha}-decay constant and the penetration probabilities calculated from the generalized liquid-drop model (GLDM) potential barriers. To determine the assault frequency a quantum-mechanical method using a harmonic oscillator is introduced and leads to values of around 10{sup 21} s{sup -1}, similar to the ones calculated within the classical method. The preformation probability is around 10{sup -1}-10{sup -2}. The results for even-even Po isotopes are discussed for illustration. While the assault frequency presents only a shallow minimum in the vicinity of the magic neutronmore » number 126, the preformation factor and mainly the penetrability probability diminish strongly around N=126.« less

A practical method of I-131 thyroid cancer therapy dose optimization using estimated effective renal clearance.

PubMed

Howard, Brandon A; James, Olga G; Perkins, Jennifer M; Pagnanelli, Robert A; Borges-Neto, Salvador; Reiman, Robert E

2017-01-01

In thyroid cancer patients with renal impairment or other complicating factors, it is important to maximize I-131 therapy efficacy while minimizing bone marrow and lung damage. We developed a web-based calculator based on a modified Benua and Leeper method to calculate the maximum I-131 dose to reduce the risk of these toxicities, based on the effective renal clearance of I-123 as measured from two whole-body I-123 scans, performed at 0 and 24 h post-administration.

External dose-rate conversion factors of radionuclides for air submersion, ground surface contamination and water immersion based on the new ICRP dosimetric setting.

PubMed

Yoo, Song Jae; Jang, Han-Ki; Lee, Jai-Ki; Noh, Siwan; Cho, Gyuseong

2013-01-01

For the assessment of external doses due to contaminated environment, the dose-rate conversion factors (DCFs) prescribed in Federal Guidance Report 12 (FGR 12) and FGR 13 have been widely used. Recently, there were significant changes in dosimetric models and parameters, which include the use of the Reference Male and Female Phantoms and the revised tissue weighting factors, as well as the updated decay data of radionuclides. In this study, the DCFs for effective and equivalent doses were calculated for three exposure settings: skyshine, groundshine and water immersion. Doses to the Reference Phantoms were calculated by Monte Carlo simulations with the MCNPX 2.7.0 radiation transport code for 26 mono-energy photons between 0.01 and 10 MeV. The transport calculations were performed for the source volume within the cut-off distances practically contributing to the dose rates, which were determined by a simplified calculation model. For small tissues for which the reduction of variances are difficult, the equivalent dose ratios to a larger tissue (with lower statistical errors) nearby were employed to make the calculation efficient. Empirical response functions relating photon energies, and the organ equivalent doses or the effective doses were then derived by the use of cubic-spline fitting of the resulting doses for 26 energy points. The DCFs for all radionuclides considered important were evaluated by combining the photon emission data of the radionuclide and the empirical response functions. Finally, contributions of accompanied beta particles to the skin equivalent doses and the effective doses were calculated separately and added to the DCFs. For radionuclides considered in this study, the new DCFs for the three exposure settings were within ±10 % when compared with DCFs in FGR 13.

External dose-rate conversion factors of radionuclides for air submersion, ground surface contamination and water immersion based on the new ICRP dosimetric setting

PubMed Central

Yoo, Song Jae; Jang, Han-Ki; Lee, Jai-Ki; Noh, Siwan; Cho, Gyuseong

2013-01-01

For the assessment of external doses due to contaminated environment, the dose-rate conversion factors (DCFs) prescribed in Federal Guidance Report 12 (FGR 12) and FGR 13 have been widely used. Recently, there were significant changes in dosimetric models and parameters, which include the use of the Reference Male and Female Phantoms and the revised tissue weighting factors, as well as the updated decay data of radionuclides. In this study, the DCFs for effective and equivalent doses were calculated for three exposure settings: skyshine, groundshine and water immersion. Doses to the Reference Phantoms were calculated by Monte Carlo simulations with the MCNPX 2.7.0 radiation transport code for 26 mono-energy photons between 0.01 and 10 MeV. The transport calculations were performed for the source volume within the cut-off distances practically contributing to the dose rates, which were determined by a simplified calculation model. For small tissues for which the reduction of variances are difficult, the equivalent dose ratios to a larger tissue (with lower statistical errors) nearby were employed to make the calculation efficient. Empirical response functions relating photon energies, and the organ equivalent doses or the effective doses were then derived by the use of cubic-spline fitting of the resulting doses for 26 energy points. The DCFs for all radionuclides considered important were evaluated by combining the photon emission data of the radionuclide and the empirical response functions. Finally, contributions of accompanied beta particles to the skin equivalent doses and the effective doses were calculated separately and added to the DCFs. For radionuclides considered in this study, the new DCFs for the three exposure settings were within ±10 % when compared with DCFs in FGR 13. PMID:23542764

Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23.

PubMed

Velazquez, Hector A; Riccardi, Demian; Xiao, Zhousheng; Quarles, Leigh Darryl; Yates, Charless Ryan; Baudry, Jerome; Smith, Jeremy C

2018-02-01

Ensemble docking is now commonly used in early-stage in silico drug discovery and can be used to attack difficult problems such as finding lead compounds which can disrupt protein-protein interactions. We give an example of this methodology here, as applied to fibroblast growth factor 23 (FGF23), a protein hormone that is responsible for regulating phosphate homeostasis. The first small-molecule antagonists of FGF23 were recently discovered by combining ensemble docking with extensive experimental target validation data (Science Signaling, 9, 2016, ra113). Here, we provide a detailed account of how ensemble-based high-throughput virtual screening was used to identify the antagonist compounds discovered in reference (Science Signaling, 9, 2016, ra113). Moreover, we perform further calculations, redocking those antagonist compounds identified in reference (Science Signaling, 9, 2016, ra113) that performed well on drug-likeness filters, to predict possible binding regions. These predicted binding modes are rescored with the molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) approach to calculate the most likely binding site. Our findings suggest that the antagonist compounds antagonize FGF23 through the disruption of protein-protein interactions between FGF23 and fibroblast growth factor receptor (FGFR). © 2017 John Wiley & Sons A/S.

Strengthening of certain types of arch dams at broad sites

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

Kaganov, G. M.; Volkov, V. I.; Uchevatkin, A. A.

2012-01-15

The problem of strengthening defective and damaged arch dams is formulated, and methodical calculations are performed to substantiate a set of structural and production measures permitting substantial improvement in the stress-strain state and an increase in the safety factor of the structure. Feasibility of practical implementation of the results is foreseen.

Impact of extrinsic factors on fine motor performance of children attending day care.

PubMed

Corsi, Carolina; Santos, Mariana Martins Dos; Marques, Luísa de Andrade Perez; Rocha, Nelci Adriana Cicuto Ferreira

2016-12-01

To assess the impact of extrinsic factors on fine motor performance of children aged two years old. 73 children attending public and 21 private day care centers were assessed. Day care environment was evaluated using the Infant/Toddler Environment Rating Scale - Revised Edition (ITERS-R), fine motor performance was assessed through the Bayley Scales of Infant and Toddler Development - III (BSITD-III), socioeconomic data, maternal education and time of start at the day care were collected through interviews. Spearman's correlation coefficient was calculated to assess the association between the studied variables. The time at the day care was positively correlated with the children's performance in some fine motor tasks of the BSITD-III, showing that the activities developed in day care centers were important for the refinement of specific motor skills, while the overall fine motor performance by the scale was associated with maternal education and the ITERS-R scale sub-item "language and understanding". Extrinsic factors such as higher maternal education and quality of day care centers are associated with fine motor performance in children attending day care. Copyright © 2016 Sociedade de Pediatria de São Paulo. Publicado por Elsevier Editora Ltda. All rights reserved.

Performance tuning of N-body codes on modern microprocessors: I. Direct integration with a hermite scheme on x86_64 architecture

NASA Astrophysics Data System (ADS)

Nitadori, Keigo; Makino, Junichiro; Hut, Piet

2006-12-01

The main performance bottleneck of gravitational N-body codes is the force calculation between two particles. We have succeeded in speeding up this pair-wise force calculation by factors between 2 and 10, depending on the code and the processor on which the code is run. These speed-ups were obtained by writing highly fine-tuned code for x86_64 microprocessors. Any existing N-body code, running on these chips, can easily incorporate our assembly code programs. In the current paper, we present an outline of our overall approach, which we illustrate with one specific example: the use of a Hermite scheme for a direct N2 type integration on a single 2.0 GHz Athlon 64 processor, for which we obtain an effective performance of 4.05 Gflops, for double-precision accuracy. In subsequent papers, we will discuss other variations, including the combinations of N log N codes, single-precision implementations, and performance on other microprocessors.

Tin Oxide Crystals Exposed by Low-Energy {110} Facets for Enhanced Electrochemical Heavy Metal Ions Sensing: X-ray Absorption Fine Structure Experimental Combined with Density-Functional Theory Evidence.

PubMed

Jin, Zhen; Yang, Meng; Chen, Shao-Hua; Liu, Jin-Huai; Li, Qun-Xiang; Huang, Xing-Jiu

2017-02-21

Herein, we revealed that the electrochemical behaviors on the detection of heavy metal ions (HMIs) would largely rely on the exposed facets of SnO 2 nanoparticles. Compared to the high-energy {221} facet, the low-energy {110} facet of SnO 2 possessed better electrochemical performance. The adsorption/desorption tests, density-functional theory (DFT) calculations, and X-ray absorption fine structure (XAFS) studies showed that the lower barrier energy of surface diffusion on {110} facet was critical for the superior electrochemical property, which was favorable for the ions diffusion on the electrode, and further leading the enhanced electrochemical performance. Through the combination of experiments and theoretical calculations, a reliable interpretation of the mechanism for electroanalysis of HMIs with nanomaterials exposed by different crystal facets has been provided. Furthermore, it provides a deep insight into understanding the key factor to improve the electrochemical performance for HMIs detection, so as to design high-performance electrochemical sensors.

Customer Dissatisfaction Index and its Improvement Costs

NASA Astrophysics Data System (ADS)

Lvovs, Aleksandrs; Mutule, Anna

2010-01-01

The paper gives description of customer dissatisfaction index (CDI) that can be used as reliability level characterizing factor. The factor is directly joined with customer satisfaction of power supply and can be used for control of reliability level of power supply for residential customers. CDI relations with other reliability indices are shown. Paper also gives a brief overview of legislation of Latvia in power industry that is the base for CDI introduction. Calculations of CDI improvement costs are performed in the paper too.

A New Astrometric Reduction of Photographic Plates Using the DAMIAN Digitizer: Improving the Dynamics of the Jovian System

DTIC Science & Technology

2011-01-01

weighted least-squares solutions. In order to perform the instrumental calibration, we evaluated with Praesepe and Pleiades cluster images (50 reference...measurements and in order to use the trail- scale method, the scale factors were calculated with diaphragmed Praesepe and undiaphragmed Pleiades plates taken in...0.002 arcsec mm−1 should be used. In the case of the DAMIAN star link method, we determined the scale factors with the same Praesepe and Pleiades images

Density of states and extent of wave function: two crucial factors for small polaron hopping conductivity in 1D

NASA Astrophysics Data System (ADS)

Dimakogianni, M.; Simserides, C.; Triberis, G. P.

2013-07-01

We introduce a theoretical model to scrutinize the conductivity of small polarons in 1D disordered systems, focusing on two crucial - as will be demonstrated - factors: the density of states and the spatial extent of the electronic wave function. The investigation is performed for any temperature up to 300 K and under electric field of arbitrary strength up to the polaron dissociation limit. To accomplish this task, we combine analytical work with numerical calculations.

Streamlining resummed QCD calculations using Monte Carlo integration

DOE PAGES

Farhi, David; Feige, Ilya; Freytsis, Marat; ...

2016-08-18

Some of the most arduous and error-prone aspects of precision resummed calculations are related to the partonic hard process, having nothing to do with the resummation. In particular, interfacing to parton-distribution functions, combining various channels, and performing the phase space integration can be limiting factors in completing calculations. Conveniently, however, most of these tasks are already automated in many Monte Carlo programs, such as MadGraph [1], Alpgen [2] or Sherpa [3]. In this paper, we show how such programs can be used to produce distributions of partonic kinematics with associated color structures representing the hard factor in a resummed distribution.more » These distributions can then be used to weight convolutions of jet, soft and beam functions producing a complete resummed calculation. In fact, only around 1000 unweighted events are necessary to produce precise distributions. A number of examples and checks are provided, including e +e – two- and four-jet event shapes, n-jettiness and jet-mass related observables at hadron colliders at next-to-leading-log (NLL) matched to leading order (LO). Furthermore, the attached code can be used to modify MadGraph to export the relevant LO hard functions and color structures for arbitrary processes.« less

Developing a Repeatable Methodology to Calculate Retrograde Planning Factors

DTIC Science & Technology

2015-01-01

CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR( S ) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING...ORGANIZATION NAME( S ) AND ADDRESS(ES) RAND Corporation,Arroyo Center,1776 Main Street, P.O. Box 2138,Santa Monica,CA,90407-2138 8. PERFORMING...ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME( S ) AND ADDRESS(ES) 10. SPONSOR/MONITOR’S ACRONYM( S ) 11. SPONSOR/MONITOR’S REPORT NUMBER( S

Grain-Size-Dependent Thermoelectric Properties of SrTiO3 3D Superlattice Ceramics

NASA Astrophysics Data System (ADS)

Zhang, Rui-zhi; Koumoto, Kunihito

2013-07-01

The thermoelectric (TE) performance of SrTiO3 (STO) 3D superlattice ceramics with 2D electron gas grain boundaries (GBs) was theoretically investigated. The grain size dependence of the power factor, lattice thermal conductivity, and ZT value were calculated by using Boltzmann transport equations. It was found that nanostructured STO ceramics with smaller grain size have larger ZT value. This is because the quantum confinement effect, energy filtering effect, and interfacial phonon scattering at GBs all become stronger with decreasing grain size, resulting in higher power factor and lower lattice thermal conductivity. These findings will aid the design of nanostructured oxide ceramics with high TE performance.

Monte Carlo investigation of backscatter factors for skin dose determination in interventional neuroradiology procedures

NASA Astrophysics Data System (ADS)

Omar, Artur; Benmakhlouf, Hamza; Marteinsdottir, Maria; Bujila, Robert; Nowik, Patrik; Andreo, Pedro

2014-03-01

Complex interventional and diagnostic x-ray angiographic (XA) procedures may yield patient skin doses exceeding the threshold for radiation induced skin injuries. Skin dose is conventionally determined by converting the incident air kerma free-in-air into entrance surface air kerma, a process that requires the use of backscatter factors. Subsequently, the entrance surface air kerma is converted into skin kerma using mass energy-absorption coefficient ratios tissue-to-air, which for the photon energies used in XA is identical to the skin dose. The purpose of this work was to investigate how the cranial bone affects backscatter factors for the dosimetry of interventional neuroradiology procedures. The PENELOPE Monte Carlo system was used to calculate backscatter factors at the entrance surface of a spherical and a cubic water phantom that includes a cranial bone layer. The simulations were performed for different clinical x-ray spectra, field sizes, and thicknesses of the bone layer. The results show a reduction of up to 15% when a cranial bone layer is included in the simulations, compared with conventional backscatter factors calculated for a homogeneous water phantom. The reduction increases for thicker bone layers, softer incident beam qualities, and larger field sizes, indicating that, due to the increased photoelectric crosssection of cranial bone compared to water, the bone layer acts primarily as an absorber of low-energy photons. For neurointerventional radiology procedures, backscatter factors calculated at the entrance surface of a water phantom containing a cranial bone layer increase the accuracy of the skin dose determination.

GRAY: a program to calculate gray-body radiation heat-transfer view factors from black-body view factors

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

Wong, R. L.

1976-06-14

Program GRAY is written to perform the matrix manipulations necessary to convert black-body radiation heat-transfer view factors to gray-body view factors as required by thermal analyzer codes. The black-body view factors contain only geometric relationships. Program GRAY allows the effects of multiple gray-body reflections to be included. The resulting effective gray-body factors can then be used with the corresponding fourth-power temperature differences to obtain the net radiative heat flux. The program is written to accept a matrix input or the card image output generated by the black-body view factor program CNVUFAC. The resulting card image output generated by GRAY ismore » in a form usable by the TRUMP thermal analyzer.« less

HPLC retention thermodynamics of grape and wine tannins.

PubMed

Barak, Jennifer A; Kennedy, James A

2013-05-08

The effect of grape and wine tannin structure on retention thermodynamics under reversed-phase high-performance liquid chromatography conditions on a polystyrene divinylbenzene column was investigated. On the basis of retention response to temperature, an alternative retention factor was developed to approximate the combined temperature response of the complex, unresolvable tannin mixture. This alternative retention factor was based upon relative tannin peak areas separated by an abrupt change in solvent gradient. Using this alternative retention factor, retention thermodynamics were calculated. Van't Hoff relationships of the natural log of the alternative retention factor against temperature followed Kirchoff's relationship. An inverse quadratic equation was fit to the data, and from this the thermodynamic parameters for tannin retention were calculated. All tannin fractions exhibited exothermic, spontaneous interaction, with enthalpy-entropy compensation observed. Normalizing for tannin size, distinct tannin compositional effects on thermodynamic parameters were observed. The results of this study indicate that HPLC can be valuable for measuring the thermodynamics of tannin interaction with a hydrophobic surface and provides a potentially valuable alternative to calorimetry. Furthermore, the information gathered may provide insight into understanding red wine astringency quality.

Monte Carlo and experimental determination of correction factors for gamma knife perfexion small field dosimetry measurements

NASA Astrophysics Data System (ADS)

Zoros, E.; Moutsatsos, A.; Pappas, E. P.; Georgiou, E.; Kollias, G.; Karaiskos, P.; Pantelis, E.

2017-09-01

Detector-, field size- and machine-specific correction factors are required for precise dosimetry measurements in small and non-standard photon fields. In this work, Monte Carlo (MC) simulation techniques were used to calculate the k{{Qmsr},{{Q}0}}{{fmsr},{{f}ref}} and k{{Qclin},{{Q}msr}}{{fclin},{{f}msr}} correction factors for a series of ionization chambers, a synthetic microDiamond and diode dosimeters, used for reference and/or output factor (OF) measurements in the Gamma Knife Perfexion photon fields. Calculations were performed for the solid water (SW) and ABS plastic phantoms, as well as for a water phantom of the same geometry. MC calculations for the k{{Qclin},{{Q}msr}}{{fclin},{{f}msr}} correction factors in SW were compared against corresponding experimental results for a subset of ionization chambers and diode detectors. Reference experimental OF data were obtained through the weighted average of corresponding measurements using TLDs, EBT-2 films and alanine pellets. k{{Qmsr},{{Q}0}}{{fmsr},{{f}ref}} values close to unity (within 1%) were calculated for most of ionization chambers in water. Greater corrections of up to 6.0% were observed for chambers with relatively large air-cavity dimensions and steel central electrode. A phantom correction of 1.006 and 1.024 (breaking down to 1.014 from the ABS sphere and 1.010 from the accompanying ABS phantom adapter) were calculated for the SW and ABS phantoms, respectively, adding up to k{{Qmsr},{{Q}0}}{{fmsr},{{f}ref}} corrections in water. Both measurements and MC calculations for the diode and microDiamond detectors resulted in lower than unit k{{Qclin},{{Q}msr}}{{fclin},{{f}msr}} correction factors, due to their denser sensitive volume and encapsulation materials. In comparison, higher than unit k{{Qclin},{{Q}msr}}{{fclin},{{f}msr}} results for the ionization chambers suggested field size depended dose underestimations (being significant for the 4 mm field), with magnitude depending on the combination of contradicting phenomena associated with volume averaging and electron fluence perturbations. Finally, the presence of 0.5 mm air-gap between the diodes’ frontal surface and their phantom-inserts may considerably influence OF measurements, reaching 4.6% for the Razor diode.

New technology in turbine aerodynamics.

NASA Technical Reports Server (NTRS)

Glassman, A. J.; Moffitt, T. P.

1972-01-01

Cursory review of some recent work that has been done in turbine aerodynamic research. Topics discussed include the aerodynamic effect of turbine coolant, high work-factor (ratio of stage work to square of blade speed) turbines, and computer methods for turbine design and performance prediction. Experimental cooled-turbine aerodynamics programs using two-dimensional cascades, full annular cascades, and cold rotating turbine stage tests are discussed with some typical results presented. Analytically predicted results for cooled blade performance are compared to experimental results. The problems and some of the current programs associated with the use of very high work factors for fan-drive turbines of high-bypass-ratio engines are discussed. Computer programs have been developed for turbine design-point performance, off-design performance, supersonic blade profile design, and the calculation of channel velocities for subsonic and transonic flowfields. The use of these programs for the design and analysis of axial and radial turbines is discussed.

Determination of efficiencies, loss mechanisms, and performance degradation factors in chopper controlled dc vehical motors. Section 2: The time dependent finite element modeling of the electromagnetic field in electrical machines: Methods and applications. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Hamilton, H. B.; Strangas, E.

1980-01-01

The time dependent solution of the magnetic field is introduced as a method for accounting for the variation, in time, of the machine parameters in predicting and analyzing the performance of the electrical machines. The method of time dependent finite element was used in combination with an also time dependent construction of a grid for the air gap region. The Maxwell stress tensor was used to calculate the airgap torque from the magnetic vector potential distribution. Incremental inductances were defined and calculated as functions of time, depending on eddy currents and saturation. The currents in all the machine circuits were calculated in the time domain based on these inductances, which were continuously updated. The method was applied to a chopper controlled DC series motor used for electric vehicle drive, and to a salient pole sychronous motor with damper bars. Simulation results were compared to experimentally obtained ones.

Etude des performances de solveurs deterministes sur un coeur rapide a caloporteur sodium

NASA Astrophysics Data System (ADS)

Bay, Charlotte

The reactors of next generation, in particular SFR model, represent a true challenge for current codes and solvers, used mainly for thermic cores. There is no guarantee that their competences could be straight adapted to fast neutron spectrum, or to major design differences. Thus it is necessary to assess the validity of solvers and their potential shortfall in the case of fast neutron reactors. As part of an internship with CEA (France), and at the instigation of EPM Nuclear Institute, this study concerns the following codes : DRAGON/DONJON, ERANOS, PARIS and APOLLO3. The precision assessment has been performed using Monte Carlo code TRIPOLI4. Only core calculation was of interest, namely numerical methods competences in precision and rapidity. Lattice code was not part of the study, that is to say nuclear data, self-shielding, or isotopic compositions. Nor was tackled burnup or time evolution effects. The study consists in two main steps : first evaluating the sensitivity of each solver to calculation parameters, and obtain its optimal calculation set ; then compare their competences in terms of precision and rapidity, by collecting usual quantities (effective multiplication factor, reaction rates map), but also more specific quantities which are crucial to the SFR design, namely control rod worth and sodium void effect. The calculation time is also a key factor. Whatever conclusion or recommendation that could be drawn from this study, they must first of all be applied within similar frameworks, that is to say small fast neutron cores with hexagonal geometry. Eventual adjustments for big cores will have to be demonstrated in developments of this study.

Risk factors associated with self-reported symptoms of digital ischemia in elite male volleyball players in the Netherlands.

PubMed

van de Pol, D; Kuijer, P P F M; Langenhorst, T; Maas, M

2014-08-01

One in every four elite male volleyball players in the Netherlands reported blue or pale digits in the dominant hand. Little is known about risk factors. To assess whether personal-, sports-, and work-related risk factors are associated with these symptoms in these volleyball players, a survey was performed among elite male volleyball players in the Dutch national top league and in the Dutch beach volleyball team. The questionnaire assessed the presence of symptoms and risk factors. Binary logistic regression was performed to calculate odds ratios (ORs). A total of 99 of the 107 athletes participated - a response rate of 93%. Two sports-related risk factors were associated with symptoms of blue or pale digits: 18-30 years playing volleyball [OR = 6.70; 95% confidence interval (CI) 1.12-29.54] and often/always performing weight training to increase dominant limb strength (OR = 2.70; 95% CI 1.05-6.92). No significant other sports-, personal-, or work-related risk factors were found. Playing volleyball for more than 17 years and often/always performing weight training to increase dominant limb strength were independently associated with an increased risk on ischemia-related complaints of the dominant hand in elite male volleyball players. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Effects of crystal structure and composition on the photocatalytic performance of Ta-O-N functional materials.

PubMed

Liu, Qing-Lu; Zhao, Zong-Yan; Yi, Jian-Hong

2018-05-07

For photocatalytic applications, the response of a material to the solar spectrum and its redox capabilities are two important factors determined by the band gap and band edge position of the electronic structure of the material. The crystal structure and composition of the photocatalyst are fundamental for determining the above factors. In this article, we examine the functional material Ta-O-N as an example of how to discuss relationships among these factors in detail with the use of theoretical calculations. To explore how the crystal structure and composition influence the photocatalytic performance, two groups of Ta-O-N materials were considered: the first group included ε-Ta 2 O 5 , TaON, and Ta 3 N 5 ; the second group included β-Ta 2 O 5 , δ-Ta 2 O 5 , ε-Ta 2 O 5 , and amorphous-Ta 2 O 5 . Calculation results indicated that the band gap and band edge position are determined by interactions between the atomic core and valence electrons, the overlap of valence electronic states, and the localization of valence states. Ta 3 N 5 and TaON are suitable candidates for efficient photocatalysts owing to their photocatalytic water-splitting ability and good utilization efficiency of solar energy. δ-Ta 2 O 5 has a strong oxidation potential and a band gap suitable for absorbing visible light. Thus, it can be applied to photocatalytic degradation of most pollutants. Although a-Ta 2 O 5 , ε-Ta 2 O 5 , and β-Ta 2 O 5 cannot be directly used as photocatalysts, they can still be applied to modify conventional Ta-O-N photocatalysts, owing to their similar composition and structure. These calculation results will be helpful as reference data for analyzing the photocatalytic performance of more complicated Ta-O-N functional materials. On the basis of these findings, one could design novel Ta-O-N functional materials for specific photocatalytic applications by tuning the composition and crystal structure.

Technique for Performing Dielectric Property Measurements at Microwave Frequencies

NASA Technical Reports Server (NTRS)

Barmatz, Martin B.; Jackson, Henry W.

2010-01-01

A paper discusses the need to perform accurate dielectric property measurements on larger sized samples, particularly liquids at microwave frequencies. These types of measurements cannot be obtained using conventional cavity perturbation methods, particularly for liquids or powdered or granulated solids that require a surrounding container. To solve this problem, a model has been developed for the resonant frequency and quality factor of a cylindrical microwave cavity containing concentric cylindrical samples. This model can then be inverted to obtain the real and imaginary dielectric constants of the material of interest. This approach is based on using exact solutions to Maxwell s equations for the resonant properties of a cylindrical microwave cavity and also using the effective electrical conductivity of the cavity walls that is estimated from the measured empty cavity quality factor. This new approach calculates the complex resonant frequency and associated electromagnetic fields for a cylindrical microwave cavity with lossy walls that is loaded with concentric, axially aligned, lossy dielectric cylindrical samples. In this approach, the calculated complex resonant frequency, consisting of real and imaginary parts, is related to the experimentally measured quantities. Because this approach uses Maxwell's equations to determine the perturbed electromagnetic fields in the cavity with the material(s) inserted, one can calculate the expected wall losses using the fields for the loaded cavity rather than just depending on the value of the fields obtained from the empty cavity quality factor. These additional calculations provide a more accurate determination of the complex dielectric constant of the material being studied. The improved approach will be particularly important when working with larger samples or samples with larger dielectric constants that will further perturb the cavity electromagnetic fields. Also, this approach enables the ability to have a larger sample of interest, such as a liquid or powdered or granulated solid, inside a cylindrical container.

Application of Raman spectroscopy, surface-enhanced Raman scattering (SERS), and density functional theory for the identification of phenethylamines.

PubMed

Taplin, Francis; O'Donnell, Deanna; Kubic, Thomas; Leona, Marco; Lombardi, John

2013-10-01

We evaluated the normal Raman (NR) and the surface-enhanced Raman scattering (SERS) of three sympathomimetic amines: phenethylamine, ephedrine, and 3,4-methylenedioxymethamphetamine (MDMA). In addition, quantum mechanical calculations-geometry optimization and calculations of the harmonic vibrational frequencies-were performed using the density functional theory (DFT) approach. Vibrational assignments were made by comparing the experimental and calculated spectra. The study found that both NR and SERS provided excellent spectra for the drugs tested. Certain conditions, such as response to various laser wavelengths and background fluorescence of the analyte, could be easily managed using SERS techniques. The DFT-calculated spectra could be correlated with the experimental spectra without the aid of a scaling factor. We also present a set of discriminant bands, useful for distinguishing the three compounds, despite their structural similarities.

A feasibility study on age-related factors of wrist pulse using principal component analysis.

PubMed

Jang-Han Bae; Young Ju Jeon; Sanghun Lee; Jaeuk U Kim

2016-08-01

Various analysis methods for examining wrist pulse characteristics are needed for accurate pulse diagnosis. In this feasibility study, principal component analysis (PCA) was performed to observe age-related factors of wrist pulse from various analysis parameters. Forty subjects in the age group of 20s and 40s were participated, and their wrist pulse signal and respiration signal were acquired with the pulse tonometric device. After pre-processing of the signals, twenty analysis parameters which have been regarded as values reflecting pulse characteristics were calculated and PCA was performed. As a results, we could reduce complex parameters to lower dimension and age-related factors of wrist pulse were observed by combining-new analysis parameter derived from PCA. These results demonstrate that PCA can be useful tool for analyzing wrist pulse signal.

Cloud immersion building shielding factors for US residential structures.

PubMed

Dickson, E D; Hamby, D M

2014-12-01

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario within a semi-infinite cloud of radioactive material. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement, as well for single-wide manufactured housing-units.

Solute–solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: A molecular dynamics study

DOE PAGES

Zhang, Feng; Sun, Yang; Ye, Zhuo; ...

2015-05-06

In this study, we have performed molecular dynamics simulations on a typical Al-based alloy Al 90Sm 10. The short-range and medium-range correlations of the system are reliably produced by ab initio calculations, whereas the long-range correlations are obtained with the assistance of a semi-empirical potential well-fitted to ab initio data. Our calculations show that a prepeak in the structure factor of this system emerges well above the melting temperature, and the intensity of the prepeak increases with increasing undercooling of the liquid. These results are in agreement with x-ray diffraction experiments. The interplay between the short-range order of the systemmore » originating from the large affinity between Al and Sm atoms, and the intrinsic repulsion between Sm atoms gives rise to a stronger correlation in the second peak than the first peak in the Sm–Sm partial pair correlation function (PPCF), which in turn produces the prepeak in the structure factor.« less

Anatomy-based transmission factors for technique optimization in portable chest x-ray

NASA Astrophysics Data System (ADS)

Liptak, Christopher L.; Tovey, Deborah; Segars, William P.; Dong, Frank D.; Li, Xiang

2015-03-01

Portable x-ray examinations often account for a large percentage of all radiographic examinations. Currently, portable examinations do not employ automatic exposure control (AEC). To aid in the design of a size-specific technique chart, acrylic slabs of various thicknesses are often used to estimate x-ray transmission for patients of various body thicknesses. This approach, while simple, does not account for patient anatomy, tissue heterogeneity, and the attenuation properties of the human body. To better account for these factors, in this work, we determined x-ray transmission factors using computational patient models that are anatomically realistic. A Monte Carlo program was developed to model a portable x-ray system. Detailed modeling was done of the x-ray spectrum, detector positioning, collimation, and source-to-detector distance. Simulations were performed using 18 computational patient models from the extended cardiac-torso (XCAT) family (9 males, 9 females; age range: 2-58 years; weight range: 12-117 kg). The ratio of air kerma at the detector with and without a patient model was calculated as the transmission factor. Our study showed that the transmission factor decreased exponentially with increasing patient thickness. For the range of patient thicknesses examined (12-28 cm), the transmission factor ranged from approximately 21% to 1.9% when the air kerma used in the calculation represented an average over the entire imaging field of view. The transmission factor ranged from approximately 21% to 3.6% when the air kerma used in the calculation represented the average signals from two discrete AEC cells behind the lung fields. These exponential relationships may be used to optimize imaging techniques for patients of various body thicknesses to aid in the design of clinical technique charts.

Is the PTW 60019 microDiamond a suitable candidate for small field reference dosimetry?

NASA Astrophysics Data System (ADS)

De Coste, Vanessa; Francescon, Paolo; Marinelli, Marco; Masi, Laura; Paganini, Lucia; Pimpinella, Maria; Prestopino, Giuseppe; Russo, Serenella; Stravato, Antonella; Verona, Claudio; Verona-Rinati, Gianluca

2017-09-01

A systematic study of the PTW microDiamond (MD) output factors (OF) is reported, aimed at clarifying its response in small fields and investigating its suitability for small field reference dosimetry. Ten MDs were calibrated under 60Co irradiation. OF measurements were performed in 6 MV photon beams by a CyberKnife M6, a Varian DHX and an Elekta Synergy linacs. Two PTW silicon diodes E (Si-D) were used for comparison. The results obtained by the MDs were evaluated in terms of absorbed dose to water determination in reference conditions and OF measurements, and compared to the results reported in the recent literature. To this purpose, the Monte Carlo (MC) beam-quality correction factor, kQMD , was calculated for the MD, and the small field output correction factors, k{{Qclin},{{Q}msr}}{{fclin},{{f}msr}} , were calculated for both the MD and the Si-D by two different research groups. An empirical function was also derived, providing output correction factors within 0.5% from the MC values calculated for all of the three linacs. A high reproducibility of the dosimetric properties was observed among the ten MDs. The experimental kQMD values are in agreement within 1% with the MC calculated ones. Output correction factors within  +0.7% and  -1.4% were obtained down to field sizes as narrow as 5 mm. The resulting MD and Si-D field factors are in agreement within 0.2% in the case of CyberKnife measurements and 1.6% in the other cases. This latter higher spread of the data was demonstrated to be due to a lower reproducibility of small beam sizes defined by jaws or multi leaf collimators. The results of the present study demonstrate the reproducibility of the MD response and provide a validation of the MC modelling of this device. In principle, accurate reference dosimetry is thus feasible by using the microDiamond dosimeter for field sizes down to 5 mm.

Strain Measurements within Fibreboard. Part III: Analyzing the Process Zone at the Crack Tip of Medium Density Fiberboards (MDF) Double Cantilever I-Beam Specimens

PubMed Central

Rathke, Jörn; Müller, Ulrich; Konnerth, Johannes; Sinn, Gerhard

2012-01-01

This paper is the third part of a study dealing with the mechanical and fracture mechanical characterization of Medium Density Fiberboards (MDF). In the first part, an analysis of internal bond strength testing was performed and in the second part MDF was analyzed by means of the wedge splitting experiment; this part deals with the double cantilever I beam test, which is designed for measuring the fracture energy as well as stress intensity factor in Mode I. For a comparison of isotropic and orthotropic material behavior, finite element modeling was performed. In addition to the calculation of fracture energy the stress intensity factor was analyzed by means of finite elements simulation and calculation. In order to analyze strain deformations and the process zone, electronic speckle pattern interferometry measurements were performed. The results revealed an elongated process zone and lower results for KIC if compared to the wedge splitting experiment. The Gf numbers are higher compared to the wedge splitting results and can be explained by the thicker process zone formed during the crack propagation. The process zone width on its part is influenced by the stiff reinforcements and yields a similar crack surface as with the internal bond test.

DeltaSA tool for source apportionment benchmarking, description and sensitivity analysis

NASA Astrophysics Data System (ADS)

Pernigotti, D.; Belis, C. A.

2018-05-01

DeltaSA is an R-package and a Java on-line tool developed at the EC-Joint Research Centre to assist and benchmark source apportionment applications. Its key functionalities support two critical tasks in this kind of studies: the assignment of a factor to a source in factor analytical models (source identification) and the model performance evaluation. The source identification is based on the similarity between a given factor and source chemical profiles from public databases. The model performance evaluation is based on statistical indicators used to compare model output with reference values generated in intercomparison exercises. The references values are calculated as the ensemble average of the results reported by participants that have passed a set of testing criteria based on chemical profiles and time series similarity. In this study, a sensitivity analysis of the model performance criteria is accomplished using the results of a synthetic dataset where "a priori" references are available. The consensus modulated standard deviation punc gives the best choice for the model performance evaluation when a conservative approach is adopted.

Peripheral, functional and postural asymmetries related to the preferred chewing side in adults with natural dentition.

PubMed

Rovira-Lastra, B; Flores-Orozco, E I; Ayuso-Montero, R; Peraire, M; Martinez-Gomis, J

2016-04-01

The aim of this cross-sectional study was to determine the preferred chewing side and whether chewing side preference is related to peripheral, functional or postural lateral preferences. One hundred and forty-six adults with natural dentition performed three masticatory assays, each consisting of five trials of chewing three pieces of silicon placed into a latex bag for 20 cycles, either freestyle or unilaterally on the right- or left-hand side. Occlusal contact area in the intercuspal position, maximum bite force, masticatory performance and cycle duration were measured and the lateral asymmetry of these variables was calculated. Laterality tests were performed to determine handedness, footedness, earedness and eyedness as functional preferences, and hand-clasping, arm-folding and leg-crossing as postural lateral preferences. The preferred chewing side was determined using three different methods: assessment of the first chewing cycle for each trial, calculation of the asymmetry index from all cycles and application of a visual analogue scale. Bivariate relationship and multiple linear regression analyses were performed. Among unilateral chewers, 77% of them preferred the right side for chewing. The factors most closely related to the preferred chewing side were asymmetry of bite force, asymmetry of masticatory performance and earedness, which explained up to 16% of the variance. Although several functional or postural lateral preferences seem to be related to the preferred chewing side, peripheral factors such as asymmetry of bite force and of masticatory performance are the most closely related to the preferred chewing side in adults with natural dentition. © 2015 John Wiley & Sons Ltd.

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

Xu, H; Guerrero, M; Prado, K

Purpose: Building up a TG-71 based electron monitor-unit (MU) calculation protocol usually involves massive measurements. This work investigates a minimum data set of measurements and its calculation accuracy and measurement time. Methods: For 6, 9, 12, 16, and 20 MeV of our Varian Clinac-Series linear accelerators, the complete measurements were performed at different depth using 5 square applicators (6, 10, 15, 20 and 25 cm) with different cutouts (2, 3, 4, 6, 10, 15 and 20 cm up to applicator size) for 5 different SSD’s. For each energy, there were 8 PDD scans and 150 point measurements for applicator factors,more » cutout factors and effective SSDs that were then converted to air-gap factors for SSD 99–110cm. The dependence of each dosimetric quantity on field size and SSD was examined to determine the minimum data set of measurements as a subset of the complete measurements. The “missing” data excluded in the minimum data set were approximated by linear or polynomial fitting functions based on the included data. The total measurement time and the calculated electron MU using the minimum and the complete data sets were compared. Results: The minimum data set includes 4 or 5 PDD’s and 51 to 66 point measurements for each electron energy, and more PDD’s and fewer point measurements are generally needed as energy increases. Using only <50% of complete measurement time, the minimum data set generates acceptable MU calculation results compared to those with the complete data set. The PDD difference is within 1 mm and the calculated MU difference is less than 1.5%. Conclusion: Data set measurement for TG-71 electron MU calculations can be minimized based on the knowledge of how each dosimetric quantity depends on various setup parameters. The suggested minimum data set allows acceptable MU calculation accuracy and shortens measurement time by a few hours.« less

Exergetic analysis of autonomous power complex for drilling rig

NASA Astrophysics Data System (ADS)

Lebedev, V. A.; Karabuta, V. S.

2017-10-01

The article considers the issue of increasing the energy efficiency of power equipment of the drilling rig. At present diverse types of power plants are used in power supply systems. When designing and choosing a power plant, one of the main criteria is its energy efficiency. The main indicator in this case is the effective efficiency factor calculated by the method of thermal balances. In the article, it is suggested to use the exergy method to determine energy efficiency, which allows to perform estimations of the thermodynamic perfection degree of the system by the example of a gas turbine plant: relative estimation (exergetic efficiency factor) and an absolute estimation. An exergetic analysis of the gas turbine plant operating in a simple scheme was carried out using the program WaterSteamPro. Exergy losses in equipment elements are calculated.

PNS calculations for 3-D hypersonic corner flow with two turbulence models

NASA Technical Reports Server (NTRS)

Smith, Gregory E.; Liou, May-Fun; Benson, Thomas J.

1988-01-01

A three-dimensional parabolized Navier-Stokes code has been used as a testbed to investigate two turbulence models, the McDonald Camarata and Bushnell Beckwith model, in the hypersonic regime. The Bushnell Beckwith form factor correction to the McDonald Camarata mixing length model has been extended to three-dimensional flow by use of an inverse averaging of the resultant length scale contributions from each wall. Two-dimensional calculations are compared with experiment for Mach 18 helium flow over a 4-deg wedge. Corner flow calculations have been performed at Mach 11.8 for a Reynolds number of .67 x 10 to the 6th, based on the duct half-width, and a freestream stagnation temperature of 1750-deg Rankine.

Location of multiparticle-multihole strength in 16N via the 3-particle transfer reaction 13C(α, p) 16N at 118 MeV

NASA Astrophysics Data System (ADS)

Andrews, P. R.; Shute, G. G.; Spicer, B. M.; Collins, S. F.; Officer, V. C.; Wastell, J. M.; Nann, H.; Devins, D. W.; LI, Qingli; Jones, W. P.; Olmer, C.; Bacher, A. D.; Emery, G. T.

1986-11-01

Differential cross sections were measured for the 13C(α, p) 16N reaction at Eα = 118 MeV for an excitation energy range up to 14.5 MeV. Zero-range distorted wave Born approximation (DWBA) calculations were performed using microscopic form factors. Spin-parity assignments are suggested for states at 11.21 MeV (6 -) and 11.81 MeV (7 -) on the basis of Bansal-French-Zamick weak coupling calculations and DWBA calculations. Arguments from 16O(e, e'), 16O(p, p') and the present experiment are given relating to the location of Jπ = 4 -, T = 1 strength in 16N.

The integral line-beam method for gamma skyshine analysis

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

Shultis, J.K.; Faw, R.E.; Bassett, M.S.

1991-03-01

This paper presents a refinement of a simplified method, based on line-beam response functions, for performing skyshine calculations for shielded and collimated gamma-ray sources. New coefficients for an empirical fit to the line-beam response function are provided and a prescription for making the response function continuous in energy and emission direction is introduced. For a shielded source, exponential attenuation and a buildup factor correction for scattered photons in the shield are used. Results of the new integral line-beam method of calculation are compared to a variety of benchmark experimental data and calculations and are found to give generally excellent agreementmore » at a small fraction of the computational expense required by other skyshine methods.« less

Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines.

PubMed

Zhang, Xiaohua; Wong, Sergio E; Lightstone, Felice C

2013-04-30

A mixed parallel scheme that combines message passing interface (MPI) and multithreading was implemented in the AutoDock Vina molecular docking program. The resulting program, named VinaLC, was tested on the petascale high performance computing (HPC) machines at Lawrence Livermore National Laboratory. To exploit the typical cluster-type supercomputers, thousands of docking calculations were dispatched by the master process to run simultaneously on thousands of slave processes, where each docking calculation takes one slave process on one node, and within the node each docking calculation runs via multithreading on multiple CPU cores and shared memory. Input and output of the program and the data handling within the program were carefully designed to deal with large databases and ultimately achieve HPC on a large number of CPU cores. Parallel performance analysis of the VinaLC program shows that the code scales up to more than 15K CPUs with a very low overhead cost of 3.94%. One million flexible compound docking calculations took only 1.4 h to finish on about 15K CPUs. The docking accuracy of VinaLC has been validated against the DUD data set by the re-docking of X-ray ligands and an enrichment study, 64.4% of the top scoring poses have RMSD values under 2.0 Å. The program has been demonstrated to have good enrichment performance on 70% of the targets in the DUD data set. An analysis of the enrichment factors calculated at various percentages of the screening database indicates VinaLC has very good early recovery of actives. Copyright © 2013 Wiley Periodicals, Inc.

Examining Wrong Eye Implant Adverse Events in the Veterans Health Administration With a Focus on Prevention: A Preliminary Report.

PubMed

Neily, Julia; Chomsky, Amy; Orcutt, James; Paull, Douglas E; Mills, Peter D; Gilbert, Christina; Hemphill, Robin R; Gunnar, William

2018-03-01

The study goals were to examine wrong intraocular lens (IOL) implant adverse events in the Veterans Health Administration (VHA), identify root causes and contributing factors, and describe system changes that have been implemented to address this challenge. This study represents collaboration between the VHA's National Center for Patient Safety (NCPS) and the National Surgery Office (NSO). This report includes 45 wrong IOL implant surgery adverse events reported to established VHA NCPS and NSO databases between July 1, 2006, and June 31, 2014. There are approximately 50,000 eye implant procedures performed each year in the VHA. Wrong IOL implant surgery adverse events are reported by VHA facilities to the NCPS and the NSO. Two authors (A.C. and J.N.) coded the reports for event type (wrong lens or expired lens) and identified the primary contributing factor (coefficient κ = 0.837). A descriptive analysis was conducted, which included the reported yearly event rate. The main outcome measure was the reported wrong IOL implant surgery adverse events. There were 45 reported wrong IOL implant surgery adverse events. Between 2011 and June 30, 2014, there was a significant downward trend (P = 0.02, R = 99.7%) at a pace of -0.08 (per 10,000 cases) every year. The most frequently coded primary contributing factor was incomplete preprocedure time-out (n = 12) followed by failure to perform double check of preprocedural calculations based upon original data and implant read-back at the time the surgical eye implant was performed (n = 10). Preventing wrong IOL implant adverse events requires diligence beyond performance of the preprocedural time-out. In 2013, the VHA has modified policy to ensure double check of preprocedural calculations and implant read-back with positive impact. Continued analysis of contributing human factors and improved surgical team communication are warranted.

Factors that influence the efficiency of beef and dairy cattle recording system in Kenya: A SWOT-AHP analysis.

PubMed

Wasike, Chrilukovian B; Magothe, Thomas M; Kahi, Alexander K; Peters, Kurt J

2011-01-01

Animal recording in Kenya is characterised by erratic producer participation and high drop-out rates from the national recording scheme. This study evaluates factors influencing efficiency of beef and dairy cattle recording system. Factors influencing efficiency of animal identification and registration, pedigree and performance recording, and genetic evaluation and information utilisation were generated using qualitative and participatory methods. Pairwise comparison of factors was done by strengths, weaknesses, opportunities and threats-analytical hierarchical process analysis and priority scores to determine their relative importance to the system calculated using Eigenvalue method. For identification and registration, and evaluation and information utilisation, external factors had high priority scores. For pedigree and performance recording, threats and weaknesses had the highest priority scores. Strengths factors could not sustain the required efficiency of the system. Weaknesses of the system predisposed it to threats. Available opportunities could be explored as interventions to restore efficiency in the system. Defensive strategies such as reorienting the system to offer utility benefits to recording, forming symbiotic and binding collaboration between recording organisations and NARS, and development of institutions to support recording were feasible.

Space-Plane Spreadsheet Program

NASA Technical Reports Server (NTRS)

Mackall, Dale

1993-01-01

Basic Hypersonic Data and Equations (HYPERDATA) spreadsheet computer program provides data gained from three analyses of performance of space plane. Equations used to perform analyses derived from Newton's second law of physics, derivation included. First analysis is parametric study of some basic factors affecting ability of space plane to reach orbit. Second includes calculation of thickness of spherical fuel tank. Third produces ratio between volume of fuel and total mass for each of various aircraft. HYPERDATA intended for use on Macintosh(R) series computers running Microsoft Excel 3.0.

Millions in cash in your hospital halls. Calculating the cash value of employee engagement, Part II.

PubMed

Simon, Matthew

2003-01-01

Quality of care and the bottom line are often seen as trade-offs. But this can be a false dichotomy. As we shall see, many of the factors impacted by employee engagement--a term that encompasses trust, loyalty, motivation and cooperative spirit--contribute to both quality of care and financial performance.

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional calculation model

NASA Astrophysics Data System (ADS)

Legler, C. R.; Brown, N. R.; Dunbar, R. A.; Harness, M. D.; Nguyen, K.; Oyewole, O.; Collier, W. B.

2015-06-01

The Scaled Quantum Mechanical (SQM) method of scaling calculated force constants to predict theoretically calculated vibrational frequencies is expanded to include a broad array of polarized and augmented basis sets based on the split valence 6-31G and 6-311G basis sets with the B3LYP density functional. Pulay's original choice of a single polarized 6-31G(d) basis coupled with a B3LYP functional remains the most computationally economical choice for scaled frequency calculations. But it can be improved upon with additional polarization functions and added diffuse functions for complex molecular systems. The new scale factors for the B3LYP density functional and the 6-31G, 6-31G(d), 6-31G(d,p), 6-31G+(d,p), 6-31G++(d,p), 6-311G, 6-311G(d), 6-311G(d,p), 6-311G+(d,p), 6-311G++(d,p), 6-311G(2d,p), 6-311G++(2d,p), 6-311G++(df,p) basis sets are shown. The double d polarized models did not perform as well and the source of the decreased accuracy was investigated. An alternate system of generating internal coordinates that uses the out-of plane wagging coordinate whenever it is possible; makes vibrational assignments via potential energy distributions more meaningful. Automated software to produce SQM scaled vibrational calculations from different molecular orbital packages is presented.

Numerical modelling of a fibre reflection filter based on a metal–dielectric diffraction structure with an increased optical damage threshold

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

Terentyev, V S; Simonov, V A

2016-02-28

Numerical modelling demonstrates the possibility of fabricating an all-fibre multibeam two-mirror reflection interferometer based on a metal–dielectric diffraction structure in its front mirror. The calculations were performed using eigenmodes of a double-clad single-mode fibre. The calculation results indicate that, using a metallic layer in the structure of the front mirror of such an interferometer and a diffraction effect, one can reduce the Ohmic loss by a factor of several tens in comparison with a continuous thin metallic film. (laser crystals and braggg ratings)

Calculation and measurement of the influence of flow parameters on rotordynamic coefficients in labyrinth seals

NASA Technical Reports Server (NTRS)

Kwanka, K.; Ortinger, W.; Steckel, J.

1994-01-01

First experimental investigations performed on a new test rig are presented. For a staggered labyrinth seal with fourteen cavities the stiffness coefficient and the leakage flow are measured. The experimental results are compared to calculated results which are obtained by a one-volume bulk-flow theory. A perturbation analysis is made for seven terms. It is found out that the friction factors have great impact on the dynamic coefficients. They are obtained by turbulent flow computation by a finite-volume model with the Reynolds equations used as basic equations.

Prediction of the Effective Thermal Conductivity of Powder Insulation

NASA Astrophysics Data System (ADS)

Jin, Lingxue; Park, Jiho; Lee, Cheonkyu; Jeong, Sangkwon

The powder insulation method is widely used in structural and cryogenic systems such as transportation and storage tanks of cryogenic fluids. The powder insulation layer is constructed by small particle powder with light weight and some residual gas with high porosity. So far, many experiments have been carried out to test the thermal performance of various kinds of powder, including expanded perlite, glass microspheres, expanded polystyrene (EPS). However, it is still difficult to predict the thermal performance of powder insulation by calculation due to the complicated geometries, including various particle shapes, wide powder diameter distribution, and various pore sizes. In this paper, the effective thermal conductivity of powder insulation has been predicted based on an effective thermal conductivity calculationmodel of porous packed beds. The calculation methodology was applied to the insulation system with expanded perlite, glass microspheres and EPS beads at cryogenic temperature and various vacuum pressures. The calculation results were compared with previous experimental data. Moreover, additional tests were carried out at cryogenic temperature in this research. The fitting equations of the deformation factor of the area-contact model are presented for various powders. The calculation results show agood agreement with the experimental results.

SU-F-T-67: Correction Factors for Monitor Unit Verification of Clinical Electron Beams

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

Haywood, J

Purpose: Monitor units calculated by electron Monte Carlo treatment planning systems are often higher than TG-71 hand calculations for a majority of patients. Here I’ve calculated tables of geometry and heterogeneity correction factors for correcting electron hand calculations. Method: A flat water phantom with spherical volumes having radii ranging from 3 to 15 cm was created. The spheres were centered with respect to the flat water phantom, and all shapes shared a surface at 100 cm SSD. D{sub max} dose at 100 cm SSD was calculated for each cone and energy on the flat phantom and for the spherical volumesmore » in the absence of the flat phantom. The ratio of dose in the sphere to dose in the flat phantom defined the geometrical correction factor. The heterogeneity factors were then calculated from the unrestricted collisional stopping power for tissues encountered in electron beam treatments. These factors were then used in patient second check calculations. Patient curvature was estimated by the largest sphere that aligns to the patient contour, and appropriate tissue density was read from the physical properties provided by the CT. The resulting MU were compared to those calculated by the treatment planning system and TG-71 hand calculations. Results: The geometry and heterogeneity correction factors range from ∼(0.8–1.0) and ∼(0.9–1.01) respectively for the energies and cones presented. Percent differences for TG-71 hand calculations drop from ∼(3–14)% to ∼(0–2)%. Conclusion: Monitor units calculated with the correction factors typically decrease the percent difference to under actionable levels, < 5%. While these correction factors work for a majority of patients, there are some patient anatomies that do not fit the assumptions made. Using these factors in hand calculations is a first step in bringing the verification monitor units into agreement with the treatment planning system MU.« less

Dosimetry in differentiated thyroid carcinoma (12-1402R)

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

Minguez, Pablo; Genolla, Jose; Celeiro, Jose Javier

2013-01-15

Purpose: The aim of this study has been to perform a dosimetric study in the treatments of differentiated thyroid cancer (DTC) performed in our center in order to find a dose-effect correlation. Methods: Thirty patients treated for DTC with 3700 MBq of {sup 131}I have been included in this study. For reasons of radiological protection all of them spent two nights as inpatients. Dose rate at 1 m from all patients was measured approximately 20 and 44 h after the administration of the radioiodine and a whole body scan in the gamma camera was performed approximately 1 week later. Withmore » those measurements and by using a model of two compartments the activities in thyroid bed remnants and in the whole body were calculated as a function of time. The integration of both activities yields the corresponding cumulated activities. Absorbed doses to thyroid bed remnants and to the whole body can be calculated following the MIRDOSE method-that is, by multiplying the corresponding cumulated activities by the corresponding S factors. Results: The absorbed doses to thyroid bed remnants calculated in this study fall into a very wide range (13-1161 Gy) and showed the highest correlation factors with the following parameters: the absorbed dose rate to thyroid bed remnants, the cumulated activity in thyroid bed remnants, and the maximum radioiodine uptake in thyroid bed remnants. The absorbed doses to the whole body range from 0.12 to 0.23 Gy. The ablation was successful in all patients, and in spite of the wide range of absorbed doses to thyroid bed remnants obtained, no dose-effect correlation could be obtained. Conclusions: Facing DTC treatments from a dosimetric viewpoint in which a predosimetry to calculate the activity of {sup 131}I to be administered is performed is a subject difficult to handle. This statement is based on the fact that although a very wide range of absorbed doses to thyroid bed remnants was obtained (including several absorbed doses well below some dose thresholds previously published to achieve ablation of thyroid bed remnants), ablation of thyroid bed remnants was successful for all patients and therefore no dose-effect correlation could be determined.« less

SU-E-T-525: Ionization Chamber Perturbation in Flattening Filter Free Beams

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

Czarnecki, D; Voigts-Rhetz, P von; Zink, K

2015-06-15

Purpose: Changing the characteristic of a photon beam by mechanically removing the flattening filter may impact the dose response of ionization chambers. Thus, perturbation factors of cylindrical ionization chambers in conventional and flattening filter free photon beams were calculated by Monte Carlo simulations. Methods: The EGSnrc/BEAMnrc code system was used for all Monte Carlo calculations. BEAMnrc models of nine different linear accelerators with and without flattening filter were used to create realistic photon sources. Monte Carlo based calculations to determine the fluence perturbations due to the presens of the chambers components, the different material of the sensitive volume (air insteadmore » of water) as well as the volume effect were performed by the user code egs-chamber. Results: Stem, central electrode, wall, density and volume perturbation factors for linear accelerators with and without flattening filter were calculated as a function of the beam quality specifier TPR{sub 20/10}. A bias between the perturbation factors as a function of TPR{sub 20/10} for flattening filter free beams and conventional linear accelerators could not be observed for the perturbations caused by the components of the ionization chamber and the sensitive volume. Conclusion: The results indicate that the well-known small bias between the beam quality correction factor as a function of TPR20/10 for the flattening filter free and conventional linear accelerators is not caused by the geometry of the detector but rather by the material of the sensitive volume. This suggest that the bias for flattening filter free photon fields is only caused by the different material of the sensitive volume (air instead of water)« less

Systematic study of proton capture reactions in medium-mass nuclei relevant to the p process: The case of 103Rh and In,115113

NASA Astrophysics Data System (ADS)

Harissopulos, S.; Spyrou, A.; Foteinou, V.; Axiotis, M.; Provatas, G.; Demetriou, P.

2016-02-01

The cross sections of the 103Rh(p ,γ )104Pd and the In,115113(p ,γ )Sn,116114 reactions have been determined from γ angular distribution measurements carried out at beam energies from 2 to 3.5 MeV. An array of four highly efficient HPGe detectors all shielded with BGO crystals for Compton background suppression was used. Astrophysical S factors and reaction rates were deduced from the measured cross sections. Statistical model calculations were performed using the Hauser-Feshbach (HF) code TALYS and were compared with the new data. A good agreement between theory and experiment was found. In addition, the effect of different combinations of the nuclear input parameters entering the HF calculations on the ground-state reaction rates was investigated. It was found that these rates differ by a factor 3 at the most, being thus within the average discrepancies observed between calculated p -nuclei abundances and observations, if certain combinations of optical model potentials, nuclear level densities, and γ -ray strength functions are used.

Analytical study of the acoustic field in a spherical resonator for single bubble sonoluminescence.

PubMed

Dellavale, Damián; Urteaga, Raúl; Bonetto, Fabián J

2010-01-01

The acoustic field in the liquid within a spherical solid shell is calculated. The proposed model takes into account Stoke's wave equation in the viscous fluid, the membrane theory to describe the solid shell motion and the energy loss through the external couplings of the system. A point source at the resonator center is included to reproduce the acoustic emission of a sonoluminescence bubble. Particular calculations of the resulting acoustic field are performed for viscous liquids of interest in single bubble sonoluminescence. The model reveals that in case of radially symmetric modes of low frequency, the quality factor is mainly determined by the acoustic energy flowing through the mechanical coupling of the resonator. Alternatively, for high frequency modes the quality factor is mainly determined by the viscous dissipation in the liquid. Furthermore, the interaction between the bubble acoustic emission and the resonator modes is analyzed. It was found that the bubble acoustic emission produces local maxima in the resonator response. The calculated amplitudes and relative phases of the harmonics constituting the bubble acoustic environment can be used to improve multi-frequency driving in sonoluminescence.

The epidemiology of wrist fractures in older men: the Osteoporotic Fractures in Men (MrOS) study.

PubMed

Wright, N C; Hooker, E R; Nielson, C M; Ensrud, K E; Harrison, S L; Orwoll, E S; Barrett-Connor, E

2018-04-01

There is limited wrist fracture information on men. Our goal was to calculate frequency and identify risk factors for wrist fracture in the Osteoporotic Fractures in Men (MrOS) study. We confirmed that fracture history and certain medications are predictors, and identified novel predictors including markers of kidney function and physical performance. To calculate the incidence of wrist fractures and their risk factors in older community-dwelling men from the US Osteoporotic Fractures in Men (MrOS) study. Using triannual postcards, we identified incident wrist fractures (centrally confirmed by radiology) in men aged ≥ 65. Potential risk factors included the following: demographics, lifestyle, bone mineral density (BMD), selected medications, biomarkers, and physical function and performance measures. Both baseline and time-varying models were adjusted for age, race/ethnicity, MrOS geographic location, and competing mortality risks. We observed 97 incident wrist fractures among 5875 men followed for an average of 10.8 years. The incidence of wrist fracture was 1.6 per 1000 person-years overall and ranged from 1.0 among men aged 65-69 to 2.4 among men age ≥ 80. Significant predictors included the following: fracture history after age 50 [hazard ratio (95% CI): 2.48 (1.65, 3.73)], high serum phosphate [1.25 (1.02, 1.53)], use of selective serotonin receptor inhibitor (SSRI) [3.60 (1.96, 6.63), decreased right arm BMD [0.49 (0.37, 0.65) per SD increase], and inability to perform the grip strength test [3.38 (1.24, 9.25)]. We did not find associations with factors commonly associated with wrist and other osteoporosis fractures like falls, diabetes, calcium and vitamin D intake, and alcohol intake. Among these older, community-dwelling men, we confirmed that fracture history is a strong predictor of wrist fractures in men. Medications such as SSRIs and corticosteroids also play a role in wrist fracture risk. We identified novel risk factors including kidney function and the inability to perform the grip strength test.

Fast sparse recovery and coherence factor weighting in optoacoustic tomography

NASA Astrophysics Data System (ADS)

He, Hailong; Prakash, Jaya; Buehler, Andreas; Ntziachristos, Vasilis

2017-03-01

Sparse recovery algorithms have shown great potential to reconstruct images with limited view datasets in optoacoustic tomography, with a disadvantage of being computational expensive. In this paper, we improve the fast convergent Split Augmented Lagrangian Shrinkage Algorithm (SALSA) method based on least square QR (LSQR) formulation for performing accelerated reconstructions. Further, coherence factor is calculated to weight the final reconstruction result, which can further reduce artifacts arising in limited-view scenarios and acoustically heterogeneous mediums. Several phantom and biological experiments indicate that the accelerated SALSA method with coherence factor (ASALSA-CF) can provide improved reconstructions and much faster convergence compared to existing sparse recovery methods.

Exploring unimolecular dissociation kinetics of ethyl dibromide through electronic structure calculations

NASA Astrophysics Data System (ADS)

Gulvi, Nitin R.; Patel, Priyanka; Badani, Purav M.

2018-04-01

Pathway for dissociation of multihalogenated alkyls is observed to be competitive between molecular and atomic elimination products. Factors such as molecular structure, temperature and pressure are known to influence the same. Hence present work is focussed to explore mechanism and kinetics of atomic (Br) and molecular (HBr and Br2) elimination upon pyrolysis of 1,1- and 1,2-ethyl dibromide (EDB). For this purpose, electronic structure calculations were performed at DFT and CCSD(T) level of theory. In addition to concerted mechanism, an alternate energetically efficient isomerisation pathway has been exploited for molecular elimination. Energy calculations are further complimented by detailed kinetic investigation, over wide range of temperature and pressure, using suitable models like Canonical Transition State Theory, Statistical Adiabatic Channel Model and Troe's formalism. Our calculations suggest high branching ratio for dehydrohalogentation reaction, from both isomers of EDB. Fall off curve depicts good agreement between theoretically estimated and experimentally reported values.

Theoretical studies on the inactivation mechanism of γ-aminobutyric acid aminotransferase.

PubMed

Durak, A T; Gökcan, H; Konuklar, F A S

2011-07-21

The inactivation mechanism of γ-aminobutyric acid aminotransferase (GABA-AT) in the presence of γ-vinyl-aminobutyric acid, an anti-epilepsy drug, has been studied by means of theoretical calculations. Density functional theory methods have been applied to compare the three experimentally proposed inactivation mechanisms (Silverman et al., J. Biol. Chem., 2004, 279, 363). All the calculations were performed at the B3LYP/6-31+G(d,p) level of theory. Single point solvent calculations were carried out in water, by means of an integral equation formalism-polarizable continuum model (IEFPCM) at the B3LYP/6-31+G(d,p) level of theory. The present calculations provide an insight into the mechanistic preferences of the inactivation reaction of GABA-AT. The results also allow us to elucidate the key factors behind the mechanistic preferences. The computations also confirm the importance of explicit water molecules around the reacting center in the proton transfer steps.

Theoretical temperature-dependent branching ratios and laser thresholds of the 3F4 to 3H6 levels of Tm(3+) in ten garnets

NASA Technical Reports Server (NTRS)

Filer, Elizabeth D.; Barnes, Norman P.; Morrison, Clyde A.

1991-01-01

The calculated energy levels, the branching ratios, and the estimated thresholds for thulium operating on the 3F4 to 3H6 transitions are reported. Garnet materials with the general formula A3B2C3O12 are evaluated. Calculations are performed for the A side under the assumption of D2 symmetry. X-ray data available in the literature are used to evaluate the crystal-field components, A sub nm. Even-n components are employed to calculate the crystal-field splittings within the manifold. Thermal occupation factors are determined in a straightforward manner using a Boltzmann distribution for the respective manifolds. Odd-n components are applied to calculate the transition probabilities for electric field transitions. It is determined that the magnetic dipole contributions to the transition probability are comparable to the electric dipole contributions in some cases. Thresholds as a function of the density of thulium atoms are calculated.

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.

Nursing students' confidence in medication calculations predicts math exam performance.

PubMed

Andrew, Sharon; Salamonson, Yenna; Halcomb, Elizabeth J

2009-02-01

The aim of this study was to examine the psychometric properties, including predictive validity, of the newly-developed nursing self-efficacy for mathematics (NSE-Math). The NSE-Math is a 12 item scale that comprises items related to mathematic and arithmetic concepts underpinning medication calculations. The NSE-Math instrument was administered to second year Bachelor of Nursing students enrolled in a nursing practice subject. Students' academic results for a compulsory medication calculation examination for this subject were collected. One-hundred and twelve students (73%) completed both the NSE-Math instrument and the drug calculation assessment task. The NSE-Math demonstrated two factors 'Confidence in application of mathematic concepts to nursing practice' and 'Confidence in arithmetic concepts' with 63.5% of variance explained. Cronbach alpha for the scale was 0.90. The NSE-Math demonstrated predictive validity with the medication calculation examination results (p=0.009). Psychometric testing suggests the NSE-Math is a valid measure of mathematics self-efficacy of second year nursing students.

Accounting of fundamental components of the rotation parameters of the Earth in the formation of a high-accuracy orbit of navigation satellites

NASA Astrophysics Data System (ADS)

Markov, Yu. G.; Mikhailov, M. V.; Pochukaev, V. N.

2012-07-01

An analysis of perturbing factors influencing the motion of a navigation satellite (NS) is carried out, and the degree of influence of each factor on the GLONASS orbit is estimated. It is found that fundamental components of the Earth's rotation parameters (ERP) are one substantial factor commensurable with maximum perturbations. Algorithms for the calculation of orbital perturbations caused by these parameters are given; these algorithms can be implemented in a consumer's equipment. The daily prediction of NS coordinates is performed on the basis of real GLONASS satellite ephemerides transmitted to a consumer, using the developed prediction algorithms taking the ERP into account. The obtained accuracy of the daily prediction of GLONASS ephemerides exceeds by tens of times the accuracy of the daily prediction performed using algorithms recommended in interface control documents.

Both psychological factors and physical performance are associated with fall-related concerns.

PubMed

Pauelsen, Mascha; Nyberg, Lars; Röijezon, Ulrik; Vikman, Irene

2017-12-20

Fall-related concern strongly correlates to activity avoidance in older people. In this complex phenomenon, different terminology and instruments are often used interchangeably. Three main concepts make up fall-related concerns: fear of falling, consequence concern, and falls self-efficacy. It is suggested that fall-related concerns are mediated by psychological and physical factors. Our aims were to describe the prevalence of fall-related concerns and find explanatory factors for its most studied concept-falls self-efficacy-in an older population. We executed a cross-sectional study on a random sample of 153 community-dwelling older people (70 years or older). We used validated and reliable instruments as well as structured interviews to gather data on the three concepts of fall-related concerns and possible mediating factors. We then calculated descriptive statistics on prevalence and regression models for the total group, and men and women, separately. 70% of the total sample (80% of women and 53% of men) reported at least one of the three concepts of fall-related concern. For the total sample, fear of falling, morale, and physical performance were associated factors with falls self-efficacy. For women, the number of prescription medications was added. For men, physical performance and concerns for injury were associated. Fall-related concern is prevalent in large proportions with higher prevalence for women than for men. Important factors are fear of falling, morale, and physical performance. Gender differences in the emergence and variance of fall-related concern and the relation between physical performance and fall-related concern should be targeted in future research endeavors.

Evaluation of Hepatic Steatosis by Using Acoustic Structure Quantification US in a Rat Model: Comparison with Pathologic Examination and MR Spectroscopy.

PubMed

Lee, Dong Ho; Lee, Jae Young; Lee, Kyung Bun; Han, Joon Koo

2017-11-01

Purpose To determine factors that significantly affect the focal disturbance (FD) ratio calculated with an acoustic structure quantification (ASQ) technique in a dietary-induced fatty liver disease rat model and to assess the diagnostic performance of the FD ratio in the assessment of hepatic steatosis by using histopathologic examination as a standard of reference. Materials and Methods Twenty-eight male F344 rats were fed a methionine-choline-deficient diet with a variable duration (3.5 days [half week] or 1, 2, 3, 4, 5, or 6 weeks; four rats in each group). A control group of four rats was maintained on a standard diet. At the end of each diet period, ASQ ultrasonography (US) and magnetic resonance (MR) spectroscopy were performed. Then, the rat was sacrificed and histopathologic examination of the liver was performed. Receiver operating characteristic curve analysis was performed to assess the diagnostic performance of the FD ratio in the evaluation of the degree of hepatic steatosis. The Spearman correlation coefficient was calculated to assess the correlation between the ordinal values, and multivariate linear regression analysis was used to identify significant determinant factors for the FD ratio. Results The diagnostic performance of the FD ratio in the assessment of the degree of hepatic steatosis (area under the receiver operating characteristic curve: 1.000 for 5%-33% steatosis, 0.981 for >33% to 66% steatosis, and 0.965 for >66% steatosis) was excellent and was comparable to that of MR spectroscopy. There was a strong negative linear correlation between the FD ratio and the estimated fat fraction at MR spectroscopy (Spearman ρ, -0.903; P < .001). Multivariate linear regression analysis showed that the degree of hepatic steatosis (P < .001) and fibrosis stage (P = .022) were significant factors affecting the FD ratio. Conclusion The FD ratio may potentially provide good diagnostic performance in the assessment of the degree of hepatic steatosis, with a strong negative linear correlation with the estimated fat fraction at MR spectroscopy. The degree of steatosis and stage of fibrosis at histopathologic examination were significant factors that affected the FD ratio. © RSNA, 2017 Online supplemental material is available for this article.

Decoherence and Collisional Frequency Shifts of Trapped Bosons and Fermions

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

Gibble, Kurt; LNE-SYRTE, Observatoire de Paris, 75014 Paris

2009-09-11

We perform exact calculations of collisional frequency shifts for several fermions or bosons using a singlet and triplet basis for pairs of particles. The 'factor of 2 controversy' for bosons becomes clear - the factor is always 2. Decoherence is described by singlet states and they are unaffected by spatially uniform clock fields. Spatial variations are critical, especially for fermions which were previously thought to be immune to collision shifts. The spatial variations lead to decoherence and a novel frequency shift that is not proportional to the partial density of internal states.

Mathematical modeling of a survey-meter used to measure radioactivity in human thyroids: Monte Carlo calculations of the device response and uncertainties

PubMed Central

Khrutchinsky, Arkady; Drozdovitch, Vladimir; Kutsen, Semion; Minenko, Victor; Khrouch, Valeri; Luckyanov, Nickolas; Voillequé, Paul; Bouville, André

2012-01-01

This paper presents results of Monte Carlo modeling of the SRP-68-01 survey meter used to measure exposure rates near the thyroid glands of persons exposed to radioactivity following the Chernobyl accident. This device was not designed to measure radioactivity in humans. To estimate the uncertainty associated with the measurement results, a mathematical model of the SRP-68-01 survey meter was developed and verified. A Monte Carlo method of numerical simulation of radiation transport has been used to calculate the calibration factor for the device and evaluate its uncertainty. The SRP-68-01 survey meter scale coefficient, an important characteristic of the device, was also estimated in this study. The calibration factors of the survey meter were calculated for 131I, 132I, 133I, and 135I content in the thyroid gland for six age groups of population: newborns; children aged 1 yr, 5 yr, 10 yr, 15 yr; and adults. A realistic scenario of direct thyroid measurements with an “extended” neck was used to calculate the calibration factors for newborns and one-year-olds. Uncertainties in the device calibration factors due to variability of the device scale coefficient, variability in thyroid mass and statistical uncertainty of Monte Carlo method were evaluated. Relative uncertainties in the calibration factor estimates were found to be from 0.06 for children aged 1 yr to 0.1 for 10-yr and 15-yr children. The positioning errors of the detector during measurements deviate mainly in one direction from the estimated calibration factors. Deviations of the device position from the proper geometry of measurements were found to lead to overestimation of the calibration factor by up to 24 percent for adults and up to 60 percent for 1-yr children. The results of this study improve the estimates of 131I thyroidal content and, consequently, thyroid dose estimates that are derived from direct thyroid measurements performed in Belarus shortly after the Chernobyl accident. PMID:22245289

Steel Rack Connections: Identification of Most Influential Factors and a Comparison of Stiffness Design Methods.

PubMed

Shah, S N R; Sulong, N H Ramli; Shariati, Mahdi; Jumaat, M Z

2015-01-01

Steel pallet rack (SPR) beam-to-column connections (BCCs) are largely responsible to avoid the sway failure of frames in the down-aisle direction. The overall geometry of beam end connectors commercially used in SPR BCCs is different and does not allow a generalized analytic approach for all types of beam end connectors; however, identifying the effects of the configuration, profile and sizes of the connection components could be the suitable approach for the practical design engineers in order to predict the generalized behavior of any SPR BCC. This paper describes the experimental behavior of SPR BCCs tested using a double cantilever test set-up. Eight sets of specimens were identified based on the variation in column thickness, beam depth and number of tabs in the beam end connector in order to investigate the most influential factors affecting the connection performance. Four tests were repeatedly performed for each set to bring uniformity to the results taking the total number of tests to thirty-two. The moment-rotation (M-θ) behavior, load-strain relationship, major failure modes and the influence of selected parameters on connection performance were investigated. A comparative study to calculate the connection stiffness was carried out using the initial stiffness method, the slope to half-ultimate moment method and the equal area method. In order to find out the more appropriate method, the mean stiffness of all the tested connections and the variance in values of mean stiffness according to all three methods were calculated. The calculation of connection stiffness by means of the initial stiffness method is considered to overestimate the values when compared to the other two methods. The equal area method provided more consistent values of stiffness and lowest variance in the data set as compared to the other two methods.

Development of a CSP plant energy yield calculation tool applying predictive models to analyze plant performance sensitivities

NASA Astrophysics Data System (ADS)

Haack, Lukas; Peniche, Ricardo; Sommer, Lutz; Kather, Alfons

2017-06-01

At early project stages, the main CSP plant design parameters such as turbine capacity, solar field size, and thermal storage capacity are varied during the techno-economic optimization to determine most suitable plant configurations. In general, a typical meteorological year with at least hourly time resolution is used to analyze each plant configuration. Different software tools are available to simulate the annual energy yield. Software tools offering a thermodynamic modeling approach of the power block and the CSP thermal cycle, such as EBSILONProfessional®, allow a flexible definition of plant topologies. In EBSILON, the thermodynamic equilibrium for each time step is calculated iteratively (quasi steady state), which requires approximately 45 minutes to process one year with hourly time resolution. For better presentation of gradients, 10 min time resolution is recommended, which increases processing time by a factor of 5. Therefore, analyzing a large number of plant sensitivities, as required during the techno-economic optimization procedure, the detailed thermodynamic simulation approach becomes impracticable. Suntrace has developed an in-house CSP-Simulation tool (CSPsim), based on EBSILON and applying predictive models, to approximate the CSP plant performance for central receiver and parabolic trough technology. CSPsim significantly increases the speed of energy yield calculations by factor ≥ 35 and has automated the simulation run of all predefined design configurations in sequential order during the optimization procedure. To develop the predictive models, multiple linear regression techniques and Design of Experiment methods are applied. The annual energy yield and derived LCOE calculated by the predictive model deviates less than ±1.5 % from the thermodynamic simulation in EBSILON and effectively identifies the optimal range of main design parameters for further, more specific analysis.

DFT-based ab initio MD simulation of the ionic conduction in doped ZrO₂ systems under epitaxial strain.

PubMed

Oka, M; Kamisaka, H; Fukumura, T; Hasegawa, T

2015-11-21

The oxygen ionic conduction in ZrO2 systems under tensile epitaxial strain was investigated by performing ab initio molecular dynamics (MD) calculations based on density functional theory (DFT) to elucidate the essential factors in the colossal ionic conductivity observed in the yttria stabilized ZrO2 (YSZ)/SrTiO3 heterostructure. Three factors were evaluated: lattice strain, oxygen vacancies, and dopants. Phonon calculations based on density functional perturbation theory (DFPT) were used to obtain the most stable structure for nondoped ZrO2 under 7% tensile strain along the a- and b-axes. This structure has the space group Pbcn, which is entirely different from that of cubic ZrO2, suggesting that previous ab initio MD calculations assuming cubic ZrO2 may have overestimated the ionic conductivity due to relaxation from the initial structure to the stable structure (Pbcn). Our MD calculations revealed that the ionic conductivity is enhanced only when tensile strain and oxygen vacancies are incorporated, although the presently obtained diffusion constant is far below the range for the colossal ionic conduction experimentally observed. The enhanced ionic conductivity is due to the combined effects of oxygen sublattice formation induced by strain and deformation of this sublattice by oxygen vacancies.

Equilibrium cycle pin by pin transport depletion calculations with DeCART

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

Kochunas, B.; Downar, T.; Taiwo, T.

As the Advanced Fuel Cycle Initiative (AFCI) program has matured it has become more important to utilize more advanced simulation methods. The work reported here was performed as part of the AFCI fellowship program to develop and demonstrate the capability of performing high fidelity equilibrium cycle calculations. As part of the work here, a new multi-cycle analysis capability was implemented in the DeCART code which included modifying the depletion modules to perform nuclide decay calculations, implementing an assembly shuffling pattern description, and modifying iteration schemes. During the work, stability issues were uncovered with respect to converging simultaneously the neutron flux,more » isotopics, and fluid density and temperature distributions in 3-D. Relaxation factors were implemented which considerably improved the stability of the convergence. To demonstrate the capability two core designs were utilized, a reference UOX core and a CORAIL core. Full core equilibrium cycle calculations were performed on both cores and the discharge isotopics were compared. From this comparison it was noted that the improved modeling capability was not drastically different in its prediction of the discharge isotopics when compared to 2-D single assembly or 2-D core models. For fissile isotopes such as U-235, Pu-239, and Pu-241 the relative differences were 1.91%, 1.88%, and 0.59%), respectively. While this difference may not seem large it translates to mass differences on the order of tens of grams per assembly, which may be significant for the purposes of accounting of special nuclear material. (authors)« less

An effective method to accurately calculate the phase space factors for β - β - decay

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

Neacsu, Andrei; Horoi, Mihai

2016-01-01

Accurate calculations of the electron phase space factors are necessary for reliable predictions of double-beta decay rates and for the analysis of the associated electron angular and energy distributions. Here, we present an effective method to calculate these phase space factors that takes into account the distorted Coulomb field of the daughter nucleus, yet it allows one to easily calculate the phase space factors with good accuracy relative to the most exact methods available in the recent literature.

Prognostic Value of the Amount of Bleeding After Aneurysmal Subarachnoid Hemorrhage: A Quantitative Volumetric Study.

PubMed

Lagares, Alfonso; Jiménez-Roldán, Luis; Gomez, Pedro A; Munarriz, Pablo M; Castaño-León, Ana M; Cepeda, Santiago; Alén, José F

2015-12-01

Quantitative estimation of the hemorrhage volume associated with aneurysm rupture is a new tool of assessing prognosis. To determine the prognostic value of the quantitative estimation of the amount of bleeding after aneurysmal subarachnoid hemorrhage, as well the relative importance of this factor related to other prognostic indicators, and to establish a possible cut-off value of volume of bleeding related to poor outcome. A prospective cohort of 206 patients consecutively admitted with the diagnosis of aneurysmal subarachnoid hemorrhage to Hospital 12 de Octubre were included in the study. Subarachnoid, intraventricular, intracerebral, and total bleeding volumes were calculated using analytic software. For assessing factors related to prognosis, univariate and multivariate analysis (logistic regression) were performed. The relative importance of factors in determining prognosis was established by calculating their proportion of explained variation. Maximum Youden index was calculated to determine the optimal cut point for subarachnoid and total bleeding volume. Variables independently related to prognosis were clinical grade at admission, age, and the different bleeding volumes. The proportion of variance explained is higher for subarachnoid bleeding. The optimal cut point related to poor prognosis is a volume of 20 mL both for subarachnoid and total bleeding. Volumetric measurement of subarachnoid or total bleeding volume are both independent prognostic factors in patients with aneurysmal subarachnoid hemorrhage. A volume of more than 20 mL of blood in the initial noncontrast computed tomography is related to a clear increase in poor outcome risk. : aSAH, aneurysmal subarachnoid hemorrhage.

Mixed mode stress-intensity-factors in mode-3 loaded middle crack tension specimen

NASA Technical Reports Server (NTRS)

Shivakumar, Kunigal N.

1992-01-01

A three dimensional stress analysis of a middle-crack tension specimen subjected to mode-3 type loading was performed using fracture mechanics based finite element code FRAC3D. Three-dimensional stress intensity factors were calculated for a range of specimen thicknesses that represent the structures used in aerospace and nuclear industries. Calculated SIF for very thick specimen (thickness-to-crack length b/a greater than or equal to 30) agreed very well with the antiplane solution in the literature. The K(sub II) stress field exists near the intersection of the crack front and free surface in a boundary-layer region covers the complete thickness of the plate and K(sub II) dominates all through the thickness. For very thin plates (b/a is less than .1), the average K(sub II) is larger than K(sub III) (about 25% for b/a = 0.1).

Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion

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

Zhao, Li, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; Gao, Ai-Hua, E-mail: zhaoli282@dicp.ac.cn, E-mail: pwzhou@dicp.ac.cn, E-mail: libinsnet@dicp.ac.cn, E-mail: aihuagao@dicp.ac.cn; University of the Chinese Academy of Sciences, Beijing 100049

2014-12-21

On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion. The abovementioned factors bring the molecule to themore » vicinity of conical intersections on its potential energy surface and to finish the internal conversion process. A Hula-like twisting pattern is displayed during the relaxation process and the entire decay process disfavors a photoswitching pattern which corresponds to cis-trans photoisomerization.« less

Dispersive analysis of the pion transition form factor.

PubMed

Hoferichter, M; Kubis, B; Leupold, S; Niecknig, F; Schneider, S P

We analyze the pion transition form factor using dispersion theory. We calculate the singly-virtual form factor in the time-like region based on data for the [Formula: see text] cross section, generalizing previous studies on [Formula: see text] decays and [Formula: see text] scattering, and verify our result by comparing to [Formula: see text] data. We perform the analytic continuation to the space-like region, predicting the poorly-constrained space-like transition form factor below [Formula: see text], and extract the slope of the form factor at vanishing momentum transfer [Formula: see text]. We derive the dispersive formalism necessary for the extension of these results to the doubly-virtual case, as required for the pion-pole contribution to hadronic light-by-light scattering in the anomalous magnetic moment of the muon.

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

Pokhrel, D; Badkul, R; Jiang, H

Purpose: To compare dose distributions calculated using the iPlan XVMC algorithm and heterogeneities corrected/uncorrected Pencil Beam (PB-hete/PB-homo) algorithms for SBRT treatments of lung tumors. Methods: Ten patients with centrally located solitary lung tumors were treated using MC-based SBRT to 60Gy in 5 fractions for PTVV100%=95%. ITV was delineated on MIP-images based on 4D-CT scans. PTVs(ITV+5mm margins) ranged from 10.1–106.5cc(mean=48.6cc). MC-SBRT plans were generated with a combination of non-coplanar conformal arcs/beams using iPlan-XVMC-algorithm (BrainLABiPlan ver.4.1.2) for Novalis-TX consisting of HD-MLCs and 6MV-SRS(1000MU/min) mode, following RTOG 0813 dosimetric criteria. For comparison, PB-hete/PB-homo algorithms were used to re-calculate dose distributions using same beammore » configurations, MLCs/monitor units. Plans were evaluated with isocenter/maximal/mean doses to PTV. Normal lung doses were evaluated with V5/V10/V20 and mean-lung-dose(MLD), excluding PTV. Other OAR doses such as maximal spinal cord/2cc-esophagus/max bronchial tree (BT/maximal heart doses were tabulated. Results: Maximal/mean/isocenter doses to PTV calculated by PB-hete were uniformly larger than MC plans by a factors of 1.09/1.13/1.07, on average, whereas they were consistently lower by PB-homo by a factors of 0.9/0.84/0.9, respectively. The volume covered by 5Gy/10Gy/20Gy isodose-lines of the lung were comparable (average within±3%) when calculated by PB-hete compared to XVMC, but, consistently lower by PB-homo by a factors of 0.90/0.88/0.85, respectively. MLD was higher with PB-hete by 1.05, but, lower by PB-homo by 0.9, on average, compared to XVMC. XVMC max-cord/max-BT/max-heart and 2cc of esophagus doses were comparable to PB-hete; however, PB-homo underestimates by a factors of 0.82/0.89/0.88/0.86, on average, respectively. Conclusion: PB-hete significantly overestimates dose to PTV relative to XVMC -hence underdosing the target. MC is more complex and accurate with tissue-heterogeneities.The magnitude of variation significantly varies with ‘small-island-tumor’ surrounded by low-density lung tissues -PB algorithms lacks later electron scattering. Dose calculation with XVMC for lung SBRT is routinely performed in our clinic, its performance for head'neck/sinus cases will also be investigated.« less

Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics

NASA Astrophysics Data System (ADS)

Pinilla, Carlos; Blanchard, Marc; Balan, Etienne; Ferlat, Guillaume; Vuilleumier, Rodolphe; Mauri, Francesco

2014-06-01

The equilibrium fractionation factor between two phases is of importance for the understanding of many planetary and environmental processes. Although thermodynamic equilibrium can be achieved between minerals at high temperature, many natural processes involve reactions between liquids or aqueous solutions and solids. For crystals, the fractionation factor α can be theoretically determined using a statistical thermodynamic approach based on the vibrational properties of the phases. These calculations are mostly performed in the harmonic approximation, using empirical or ab-initio force fields. In the case of aperiodic and dynamic systems such as liquids or solutions, similar calculations can be done using finite-size molecular clusters or snapshots obtained from molecular dynamics (MD) runs. It is however difficult to assess the effect of these approximate models on the isotopic fractionation properties. In this work we present a systematic study of the calculation of the D/H and 18O/16O equilibrium fractionation factors in water for the liquid/vapour and ice/vapour phases using several levels of theory within the simulations. Namely, we use a thermodynamic integration approach based on Path Integral MD calculations (PIMD) and an empirical potential model of water. Compared with standard MD, PIMD takes into account quantum effects in the thermodynamic modeling of systems and the exact fractionation factor for a given potential can be obtained. We compare these exact results with those of modeling strategies usually used, which involve the mapping of the quantum system on its harmonic counterpart. The results show the importance of including configurational disorder for the estimation of isotope fractionation in liquid phases. In addition, the convergence of the fractionation factor as a function of parameters such as the size of the simulated system and multiple isotope substitution is analyzed, showing that isotope fractionation is essentially a local effect in the investigated system.

Calculation of the Nucleon Axial Form Factor Using Staggered Lattice QCD

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

Meyer, Aaron S.; Hill, Richard J.; Kronfeld, Andreas S.

The nucleon axial form factor is a dominant contribution to errors in neutrino oscillation studies. Lattice QCD calculations can help control theory errors by providing first-principles information on nucleon form factors. In these proceedings, we present preliminary results on a blinded calculation ofmore » $$g_A$$ and the axial form factor using HISQ staggered baryons with 2+1+1 flavors of sea quarks. Calculations are done using physical light quark masses and are absolutely normalized. We discuss fitting form factor data with the model-independent $z$ expansion parametrization.« less

Total Ambient Dose Equivalent Buildup Factor Determination for Nbs04 Concrete.

PubMed

Duckic, Paulina; Hayes, Robert B

2018-06-01

Buildup factors are dimensionless multiplicative factors required by the point kernel method to account for scattered radiation through a shielding material. The accuracy of the point kernel method is strongly affected by the correspondence of analyzed parameters to experimental configurations, which is attempted to be simplified here. The point kernel method has not been found to have widespread practical use for neutron shielding calculations due to the complex neutron transport behavior through shielding materials (i.e. the variety of interaction mechanisms that neutrons may undergo while traversing the shield) as well as non-linear neutron total cross section energy dependence. In this work, total ambient dose buildup factors for NBS04 concrete are calculated in terms of neutron and secondary gamma ray transmission factors. The neutron and secondary gamma ray transmission factors are calculated using MCNP6™ code with updated cross sections. Both transmission factors and buildup factors are given in a tabulated form. Practical use of neutron transmission and buildup factors warrants rigorously calculated results with all associated uncertainties. In this work, sensitivity analysis of neutron transmission factors and total buildup factors with varying water content has been conducted. The analysis showed significant impact of varying water content in concrete on both neutron transmission factors and total buildup factors. Finally, support vector regression, a machine learning technique, has been engaged to make a model based on the calculated data for calculation of the buildup factors. The developed model can predict most of the data with 20% relative error.

Efficiency and productivity of hospitals in Vietnam.

PubMed

Pham, Thuy Linh

2011-01-01

The purpose of this paper is to examine the relative efficiency and productivity of hospitals during the health reform process. Data envelopment analyses method (DEA) with the input-oriented variable-returns-to-scale model was used to calculate efficiency scores. Malmquist total factor productivity index approach was then employed to calculate productivity of hospitals. Data of 101 hospitals was extracted from databases of the Ministry of Health, Vietnam from the years 1998 to 2006. There was evidence of improvement in overall technical efficiency from 65 per cent in 1998 to 76 per cent in 2006. Hospitals' productivity progressed around 1.4 per cent per year, which was mainly due to the technical efficiency improvement. Furthermore, provincial hospitals were more technically efficient than their central counterparts and hospitals located in different regions performed differently. The paper provides an insight in the performance of Vietnamese public hospitals that has been rarely examined before and contributes to the existing literature of hospital performance in developing countries

Space radiation effects in InP solar cells

NASA Astrophysics Data System (ADS)

Walters, R. J.; Messenger, S. R.; Summers, G. P.; Burke, E. A.; Keavney, C. J.

1991-12-01

InP solar cells and mesa diodes grown by metalorganic chemical vapor deposition (MOCVD) were irradiated with electrons and protons at room temperature. The radiation-induced defects (RIDs) were characterized by deep level transient spectroscopy (DLTS), and the degradation of the solar cell performance was determined through I-V measurements. The nonionizing energy loss (NIEL) of electrons and protons in InP was calculated as a function of energy from 1 to 200 MeV and compared to the measured defect introduction rates. A linear dependence was evident. InP solar cells showed significantly more radiation resistance than c-Si or GaAs/Ge cells under 1 MeV electron irradiation. Using the calculated InP damage rates and measured damage factors, the performance of InP solar cells as a function of orbital altitude and time in orbit was predicted and compared with the performance of c-Si solar cells in the same environment. In all cases, the InP cells showed highly superior radiation resistance.

Simulation of defects in fusion plasma first wall materials

NASA Astrophysics Data System (ADS)

T, Troev; N, Nankov; T, Yoshiie

2014-06-01

Numerical calculations of radiation damages in beryllium, alpha-iron and tungsten irradiated by fusion neutrons were performed using molecular dynamics (MD) simulations. The displacement cascades efficiency has been calculated using the Norgett-Robinson-Torrens (NRT) formula, the universal pair-potential of Ziegler-Biersack-Littmark (ZBL) and the EAM inter-atomic potential. The pair potential overestimates the defects production by a factor of 2. The ZBL pair potential results and the EAM are comparable at higher primary knock-on atom (PKA) energies (E > 100 keV). We found that the most common types of defects are single vacancies, di-vacancies, interstitials and small number of interstitial clusters. On the bases of calculated results, the behavior of vacancies, empty nano-voids and nano-voids with hydrogen and helium were discussed.

Effects of hydrostatic pressure on the thermoelectric properties of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds: an ab initio study

NASA Astrophysics Data System (ADS)

Elsayed, H.; Olguín, D.; Cantarero, A.

2017-12-01

This work presents an ab initio study of the effects of hydrostatic pressure on the Seebeck coefficients and thermoelectric power factors of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds. Our study is performed using the semi-classical Boltzmann theory and the rigid band approach. The electronic band structures of these materials are calculated using the full-potential linearized augmented plane-wave method. The obtained thermoelectric properties are discussed in terms of the results of the electronic structure calculations. As we will show, our calculated Seebeck coefficient values indicate that these materials are good alternatives to other well-studied thermoelectric systems.

Stopping power in D6Li plasmas for target ignition studies

NASA Astrophysics Data System (ADS)

Cortez, Ross J.; Cassibry, Jason T.

2018-02-01

The ability to calculate the range of charged fusion products in a target is critical when estimating driver requirements. Additionally, charged particle ranges are a determining factor in the possibility that a burn front will propagate through the surrounding cold fuel layer, igniting the plasma. Performance parameters of the plasma, such as yield, gain, etc therefore rely on accurate knowledge of particle ranges and stopping power over a wide range of densities and temperatures. Further, this knowledge is essential in calculating ignition conditions for a given target design. In this paper, stopping power is calculated for DD and D6Li plasmas using a molecular dynamics based model. Emphasis is placed on solid D6Li which has been recently considered as a fuel option for fusion propulsion systems.

Spectral and radiometric calibration of the Airborne Visible/Infrared Imaging Spectrometer

NASA Technical Reports Server (NTRS)

Vane, Gregg; Chrien, Thomas G.; Miller, Edward A.; Reimer, John H.

1987-01-01

The laboratory spectral and radiometric calibration of the AVIRIS science data collected since 1987 is described. The instrumentation and procedures used in the calibration are discussed and the accuracy achieved in the laboratory as determined by measurement and calculation is compared with the requirements. Instrument performance factors affecting radiometry are described. The paper concludes with a discussion of future plans.

Context factors in general practitioner-patient encounters and their impact on assessing communication skills--an exploratory study.

PubMed

Essers, Geurt; Kramer, Anneke; Andriesse, Boukje; van Weel, Chris; van der Vleuten, Cees; van Dulmen, Sandra

2013-05-22

Assessment of medical communication performance usually focuses on rating generically applicable, well-defined communication skills. However, in daily practice, communication is determined by (specific) context factors, such as acquaintance with the patient, or the presented problem. Merely valuing the presence of generic skills may not do justice to the doctor's proficiency.Our aim was to perform an exploratory study on how assessment of general practitioner (GP) communication performance changes if context factors are explicitly taken into account. We used a mixed method design to explore how ratings would change. A random sample of 40 everyday GP consultations was used to see if previously identified context factors could be observed again. The sample was rated twice using a widely used assessment instrument (the MAAS-Global), first in the standard way and secondly after context factors were explicitly taken into account, by using a context-specific rating protocol to assess communication performance in the workplace. In between first and second rating, the presence of context factors was established. Item score differences were calculated using paired sample t-tests. In 38 out of 40 consultations, context factors prompted application of the context-specific rating protocol. Mean overall score on the 7-point MAAS-Global scale increased from 2.98 in standard to 3.66 in the context-specific rating (p<0.00); the effect size for the total mean score was 0.84. In earlier research the minimum standard score for adequate communication was set at 3.17. Applying the protocol, the mean overall score rose above the level set in an earlier study for the MAAS-Global scores to represent 'adequate GP communication behaviour'. Our findings indicate that incorporating context factors in communication assessment thus makes a meaningful difference and shows that context factors should be considered as 'signal' instead of 'noise' in GP communication assessment. Explicating context factors leads to a more deliberate and transparent rating of GP communication performance.

Molecular structures of carotenoids as predicted by MNDO-AM1 molecular orbital calculations

NASA Astrophysics Data System (ADS)

Hashimoto, Hideki; Yoda, Takeshi; Kobayashi, Takayoshi; Young, Andrew J.

2002-02-01

Semi-empirical molecular orbital calculations using AM1 Hamiltonian (MNDO-AM1 method) were performed for a number of biologically important carotenoid molecules, namely all- trans-β-carotene, all- trans-zeaxanthin, and all- trans-violaxanthin (found in higher plants and algae) together with all- trans-canthaxanthin, all- trans-astaxanthin, and all- trans-tunaxanthin in order to predict their stable structures. The molecular structures of all- trans-β-carotene, all- trans-canthaxanthin, and all- trans-astaxanthin predicted based on molecular orbital calculations were compared with those determined by X-ray crystallography. Predicted bond lengths, bond angles, and dihedral angles showed an excellent agreement with those determined experimentally, a fact that validated the present theoretical calculations. Comparison of the bond lengths, bond angles and dihedral angles of the most stable conformer among all the carotenoid molecules showed that the displacements are localized around the substituent groups and hence around the cyclohexene rings. The most stable conformers of all- trans-zeaxanthin and all- trans-violaxanthin gave rise to a torsion angle around the C6-C7 bond to be ±48.7 and -84.8°, respectively. This difference is a key factor in relation to the biological function of these two carotenoids in plants and algae (the xanthophyll cycle). Further analyses by calculating the atomic charges and using enpartment calculations (division of bond energies between component atoms) were performed to ascribe the cause of the different observed torsion angles.

Preparation and stability evaluation of extemporaneous oral suspension of valsartan using commercially available tablets.

PubMed

Zaid, Abdel Naser; Assali, Mohyeddin; Qaddomi, Aiman; Ghanem, Mashhour; Zaaror, Yara Abu

2014-01-01

The aim of this study was to develop an extemporaneous valsartan suspension (80 mg valsartan/5 mL) starting from commercial tablets (80-mg/ tablet). A high-performance liquid chromatographic system was used for the analysis and quantification of valsartan in the samples studied. Samples of valsartan suspension for analysis were prepared as reported by the validated high-performance liquid chromatographic method and the dissolution tests were performed according to the U.S. Food and Drug Administration's method. The high-performance liquid chromatographic assay indicated that the 80-mg/5-mL valsartan suspension was stable for 30 days when stored at long-term and accelerated storage conditions. Valsartan release profile showed that approximately 85% of valsartan dissolved after 10 minutes and, accordingly, the calculation of similarity factor was not necessary. It is possible for the pharmacist to crush valsartan 80-mg tablets and prepare a suspension which has dosage flexibility that can be calculated according to body-surface area, kidney, and liver functions, without affecting the chemical stability of the active ingredient nor its dissolution profile and also have a cost-effective dosage form.

Freshwater Sediment Characterization Factors of Copper Oxide Nanoparticles

NASA Astrophysics Data System (ADS)

Pu, Yubing; Laratte, Bertrand; Ionescu, Rodica Elena

2017-01-01

Wide use of engineered nanoparticles (ENPs) is likely to result in the eventually accumulation of ENPs in sediment. The benthic organisms living in sediments may suffer relatively high toxic effects of ENPs. This study has selected copper oxide nanoparticles (nano-CuO) as a research object. To consider the impacts of spatial heterogeneity on ENPs toxicity, the characterization factor (CF) derived from life cycle assessment (LCA) methodology is used as an indicator in this study. A nano-specific fate model has been used to calculate the freshwater sediment fate factor (FF) of nano-CuO. A literature survey of the nano-CuO toxicology values has been performed to calculate the effect factor (EF). Seventeen freshwater sediment CFs of nano-CuO are proposed as recommended values for subcontinental regions. The region most likely to be affected by nano-CuO is northern Australia (CF of 21.01·103 CTUe, comparative toxic units) and the least likely is northern Europe and northern Canada (CF of 8.55·103 CTUe). These sediment CFs for nano-CuO could be used in the future when evaluating the ecosystem impacts of products containing nano-CuO by LCA method.

Normalized impact factor (NIF): an adjusted method for calculating the citation rate of biomedical journals.

PubMed

Owlia, P; Vasei, M; Goliaei, B; Nassiri, I

2011-04-01

The interests in journal impact factor (JIF) in scientific communities have grown over the last decades. The JIFs are used to evaluate journals quality and the papers published therein. JIF is a discipline specific measure and the comparison between the JIF dedicated to different disciplines is inadequate, unless a normalization process is performed. In this study, normalized impact factor (NIF) was introduced as a relatively simple method enabling the JIFs to be used when evaluating the quality of journals and research works in different disciplines. The NIF index was established based on the multiplication of JIF by a constant factor. The constants were calculated for all 54 disciplines of biomedical field during 2005, 2006, 2007, 2008 and 2009 years. Also, ranking of 393 journals in different biomedical disciplines according to the NIF and JIF were compared to illustrate how the NIF index can be used for the evaluation of publications in different disciplines. The findings prove that the use of the NIF enhances the equality in assessing the quality of research works produced by researchers who work in different disciplines. Copyright © 2010 Elsevier Inc. All rights reserved.

Preoperative predictive model of cervical lymph node metastasis combining fluorine-18 fluorodeoxyglucose positron-emission tomography/computerized tomography findings and clinical factors in patients with oral or oropharyngeal squamous cell carcinoma.

PubMed

Mochizuki, Yumi; Omura, Ken; Nakamura, Shin; Harada, Hiroyuki; Shibuya, Hitoshi; Kurabayashi, Toru

2012-02-01

This study aimed to construct a preoperative predictive model of cervical lymph node metastasis using fluorine-18 fluorodeoxyglucose positron-emission tomography/computerized tomography ((18)F-FDG PET/CT) findings in patients with oral or oropharyngeal squamous cell carcinoma (SCC). Forty-nine such patients undergoing preoperative (18)F-FDG PET/CT and neck dissection or lymph node biopsy were enrolled. Retrospective comparisons with spatial correlation between PET/CT and the anatomical sites based on histopathological examinations of surgical specimens were performed. We calculated a logistic regression model, including the SUVmax-related variable. When using the optimal cutoff point criterion of probabilities calculated from the model that included either clinical factors and delayed-phase SUVmax ≥0.087 or clinical factors and maximum standardized uptake (SUV) increasing rate (SUV-IR) ≥ 0.100, it significantly increased the sensitivity, specificity, and accuracy (87.5%, 65.7%, and 75.2%, respectively). The use of predictive models that include clinical factors and delayed-phase SUVmax and SUV-IR improve preoperative nodal diagnosis. Copyright © 2012 Elsevier Inc. All rights reserved.

SU-E-T-531: Performance Evaluation of Multithreaded Geant4 for Proton Therapy Dose Calculations in a High Performance Computing Facility

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

Shin, J; Coss, D; McMurry, J

Purpose: To evaluate the efficiency of multithreaded Geant4 (Geant4-MT, version 10.0) for proton Monte Carlo dose calculations using a high performance computing facility. Methods: Geant4-MT was used to calculate 3D dose distributions in 1×1×1 mm3 voxels in a water phantom and patient's head with a 150 MeV proton beam covering approximately 5×5 cm2 in the water phantom. Three timestamps were measured on the fly to separately analyze the required time for initialization (which cannot be parallelized), processing time of individual threads, and completion time. Scalability of averaged processing time per thread was calculated as a function of thread number (1,more » 100, 150, and 200) for both 1M and 50 M histories. The total memory usage was recorded. Results: Simulations with 50 M histories were fastest with 100 threads, taking approximately 1.3 hours and 6 hours for the water phantom and the CT data, respectively with better than 1.0 % statistical uncertainty. The calculations show 1/N scalability in the event loops for both cases. The gains from parallel calculations started to decrease with 150 threads. The memory usage increases linearly with number of threads. No critical failures were observed during the simulations. Conclusion: Multithreading in Geant4-MT decreased simulation time in proton dose distribution calculations by a factor of 64 and 54 at a near optimal 100 threads for water phantom and patient's data respectively. Further simulations will be done to determine the efficiency at the optimal thread number. Considering the trend of computer architecture development, utilizing Geant4-MT for radiotherapy simulations is an excellent cost-effective alternative for a distributed batch queuing system. However, because the scalability depends highly on simulation details, i.e., the ratio of the processing time of one event versus waiting time to access for the shared event queue, a performance evaluation as described is recommended.« less

Removal of cesium from simulated liquid waste with countercurrent two-stage adsorption followed by microfiltration.

PubMed

Han, Fei; Zhang, Guang-Hui; Gu, Ping

2012-07-30

Copper ferrocyanide (CuFC) was used as an adsorbent to remove cesium. Jar test results showed that the adsorption capacity of CuFC was better than that of potassium zinc hexacyanoferrate. Lab-scale tests were performed by an adsorption-microfiltration process, and the mean decontamination factor (DF) was 463 when the initial cesium concentration was 101.3μg/L, the dosage of CuFC was 40mg/L and the adsorption time was 20min. The cesium concentration in the effluent continuously decreased with the operation time, which indicated that the used adsorbent retained its adsorption capacity. To use this capacity, experiments on a countercurrent two-stage adsorption (CTA)-microfiltration (MF) process were carried out with CuFC adsorption combined with membrane separation. A calculation method for determining the cesium concentration in the effluent was given, and batch tests in a pressure cup were performed to verify the calculated method. The results showed that the experimental values fitted well with the calculated values in the CTA-MF process. The mean DF was 1123 when the dilution factor was 0.4, the initial cesium concentration was 98.75μg/L and the dosage of CuFC and adsorption time were the same as those used in the lab-scale test. The DF obtained by CTA-MF process was more than three times higher than the single-stage adsorption in the jar test. Copyright © 2012 Elsevier B.V. All rights reserved.

A pure dipole analysis of the Gondwana apparent polar wander path: Paleogeographic implications in the evolution of Pangea

NASA Astrophysics Data System (ADS)

Gallo, L. C.; Tomezzoli, R. N.; Cristallini, E. O.

2017-04-01

The paleogeography of prebreakup Pangea at the beginning of the Atlantic Spreading has been a subject of debate for the past 50 years. Reconciling this debate involves theoretical corrections that cast doubt on available data and paleomagnetism as an effective tool for performing paleoreconstructions. This 50 year old debate focuses specifically on magnetic remanence and its ability to correctly record the inclination of the paleomagnetic field. In this paper, a selection of paleopoles was made to find the great circles containing the paleomagnetic pole and the respective sampling site. The true dipole pole (TDP) was then calculated by intersecting these great circles, effectively avoiding nondipolar contributions and inclination shallowing, in an innovative method. The great circle distance between each of these TDPs and the paleomagnetic means show the accuracy of paleomagnetic determinations in the context of a dominantly geocentric, axial, and dipolar geomagnetic field. The TDPs calculated allowed a bootstrap analysis to be performed to further consider the flattening factor that should be applied to the sedimentary-derived paleopoles. It is argued that the application of a single theoretical correction factor for clastic sedimentary-derived records could lead to a bias in the paleolatitude calculation and therefore to incorrect paleogeographic reconstructions. The unbiased APWP makes it necessary to slide Laurentia to the west in relation to Gondwana in a B-type Pangea during the Upper Carboniferous, later evolving, during the Early Permian, to reach the final A-type Pangea configuration of the Upper Permian.

Contaminant deposition building shielding factors for US residential structures.

PubMed

Dickson, Elijah; Hamby, David; Eckerman, Keith

2017-10-10

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit. © 2017 IOP Publishing Ltd.

Contaminant deposition building shielding factors for US residential structures.

PubMed

Dickson, E D; Hamby, D M; Eckerman, K F

2015-06-01

This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit.

Dosimetric validation and clinical implementation of two 3D dose verification systems for quality assurance in volumetric-modulated arc therapy techniques.

PubMed

Clemente-Gutiérrez, Francisco; Pérez-Vara, Consuelo

2015-03-08

A pretreatment quality assurance program for volumetric techniques should include redundant calculations and measurement-based verifications. The patient-specific quality assurance process must be based in clinically relevant metrics. The aim of this study was to show the commission, clinical implementation, and comparison of two systems that allow performing a 3D redundant dose calculation. In addition, one of them is capable of reconstructing the dose on patient anatomy from measurements taken with a 2D ion chamber array. Both systems were compared in terms of reference calibration data (absolute dose, output factors, percentage depth-dose curves, and profiles). Results were in good agreement for absolute dose values (discrepancies were below 0.5%) and output factors (mean differences were below 1%). Maximum mean discrepancies were located between 10 and 20 cm of depth for PDDs (-2.7%) and in the penumbra region for profiles (mean DTA of 1.5 mm). Validation of the systems was performed by comparing point-dose measurements with values obtained by the two systems for static, dynamic fields from AAPM TG-119 report, and 12 real VMAT plans for different anatomical sites (differences better than 1.2%). Comparisons between measurements taken with a 2D ion chamber array and results obtained by both systems for real VMAT plans were also performed (mean global gamma passing rates better than 87.0% and 97.9% for the 2%/2 mm and 3%/3 mm criteria). Clinical implementation of the systems was evaluated by comparing dose-volume parameters for all TG-119 tests and real VMAT plans with TPS values (mean differences were below 1%). In addition, comparisons between dose distributions calculated by TPS and those extracted by the two systems for real VMAT plans were also performed (mean global gamma passing rates better than 86.0% and 93.0% for the 2%/2 mm and 3%/ 3 mm criteria). The clinical use of both systems was successfully evaluated.

Propulsive efficiency of frog swimming with different feet and swimming patterns

PubMed Central

Jizhuang, Fan; Wei, Zhang; Bowen, Yuan; Gangfeng, Liu

2017-01-01

ABSTRACT Aquatic and terrestrial animals have different swimming performances and mechanical efficiencies based on their different swimming methods. To explore propulsion in swimming frogs, this study calculated mechanical efficiencies based on data describing aquatic and terrestrial webbed-foot shapes and swimming patterns. First, a simplified frog model and dynamic equation were established, and hydrodynamic forces on the foot were computed according to computational fluid dynamic calculations. Then, a two-link mechanism was used to stand in for the diverse and complicated hind legs found in different frog species, in order to simplify the input work calculation. Joint torques were derived based on the virtual work principle to compute the efficiency of foot propulsion. Finally, two feet and swimming patterns were combined to compute propulsive efficiency. The aquatic frog demonstrated a propulsive efficiency (43.11%) between those of drag-based and lift-based propulsions, while the terrestrial frog efficiency (29.58%) fell within the range of drag-based propulsion. The results illustrate the main factor of swimming patterns for swimming performance and efficiency. PMID:28302669

Structural-electrical coupling optimisation for radiating and scattering performances of active phased array antenna

NASA Astrophysics Data System (ADS)

Wang, Congsi; Wang, Yan; Wang, Zhihai; Wang, Meng; Yuan, Shuai; Wang, Weifeng

2018-04-01

It is well known that calculating and reducing of radar cross section (RCS) of the active phased array antenna (APAA) are both difficult and complicated. It remains unresolved to balance the performance of the radiating and scattering when the RCS is reduced. Therefore, this paper develops a structure and scattering array factor coupling model of APAA based on the phase errors of radiated elements generated by structural distortion and installation error of the array. To obtain the optimal radiating and scattering performance, an integrated optimisation model is built to optimise the installation height of all the radiated elements in normal direction of the array, in which the particle swarm optimisation method is adopted and the gain loss and scattering array factor are selected as the fitness function. The simulation indicates that the proposed coupling model and integrated optimisation method can effectively decrease the RCS and that the necessary radiating performance can be simultaneously guaranteed, which demonstrate an important application value in engineering design and structural evaluation of APAA.

Behaviours and influence factors of radon progeny in three typical dwellings.

PubMed

Li, Hongzhao; Zhang, Lei; Guo, Qiuju

2011-03-01

To investigate the behaviours and influence factors of radon progeny in rural dwellings in China, site measurements of radon equilibrium factor, unattached fraction and some important indoor environmental factors, such as aerosol concentration, aerosol size distribution and ventilation rate, were carried out in three typical types of dwellings, and a theoretical study was also performed synchronously. Good consistency between the results of site measurements and the theoretical calculation on equilibrium factor F and unattached fraction f(p) was achieved. Lower equilibrium factor and higher unattached fraction in mud or cave houses were found compared to those in brick houses, and it was suggested by the theoretical study that the smaller aerosol size distribution in mud or cave houses might be the main reason for what was observed. The dose conversion factor in the mud houses and the cave houses may be higher than that in brick houses.

[The impact factor--a reliable sciento-metric parameter?].

PubMed

Meenen, N M

1997-08-01

With shortage of research funds and increasing competition for medical posts, performance indicators and control instruments are being looked for in order to be able to allot research funds and make professorial appointments in relation to scientific performance. Incomprehensibly for many, the impact factor has become the decisive scientometric indicator at German universities despite of substantial systematic limitations. The impact factor is derived from the journal citation reports. Its basis of calculation entails the following problems: the editorial board of the private Institute of Scientific Information (ISI) decides on whether a journal is to be classified as a source journal. The citation index of all journals is calculated from their citations alone. Crucial means of influencing the impact factor result from self-citations and citation groups in these source journals. Languages other than English and other than Latin alphabets are appreciably disadvantaged by the citation index, which is why for example despite its international significance the rapid development of the osteosynthesis technique in German speaking countries went unnoticed by British and American orthopedic surgeons and scientists. The articles on postgraduate training necessarily published by clinicians in the respective language of their country are not cited because the addresses of such publications do not engage in research. Clinical disciplines (especially highly specialized disciplines such as trauma and hand surgery) thus attain appreciably lower impact factors for their journals than basic disciplines and interdisciplinary clinical sectors which lead the ranking of journals. The period covered in calculating the impact factor is only 2 years. Very modern and widely disseminated organs of publication with a short information halflife are favored. From the 10 objectively most often cited and most important journals for the scientific society, only 2 are to be found amongst those with the highest impact factor. The impact front-runner from 1995 has a very low absolute number of citations. The impact factor provides limited statistical information on a journal in its special field. Using it for this purpose presupposes knowledge of rules, limitations and constraints. Its uncritical use as a general currency of science is fundamentally unscientific. In addition, this leads to the specialists in the field knowledge of the universities being disregarded in favor of a pseudo-objective parameter determined elsewhere. At all events, correction factors for the impact factor have to be applied in respect to the different disciplines. The faculties should reach agreement on relevant (also on German language) organs of publication. The impact factor is not suitable as an indicator of the research activity and the quality of a researcher or an institution. Besides careful human judgement and other classical methods of decision making, the Science Citation Index can contribute to the individual evaluation.

Errors induced by the neglect of polarization in radiance calculations for Rayleigh-scattering atmospheres

NASA Technical Reports Server (NTRS)

Mishchenko, M. I.; Lacis, A. A.; Travis, L. D.

1994-01-01

Although neglecting polarization and replacing the rigorous vector radiative transfer equation by its approximate scalar counterpart has no physical background, it is a widely used simplification when the incident light is unpolarized and only the intensity of the reflected light is to be computed. We employ accurate vector and scalar multiple-scattering calculations to perform a systematic study of the errors induced by the neglect of polarization in radiance calculations for a homogeneous, plane-parallel Rayleigh-scattering atmosphere (with and without depolarization) above a Lambertian surface. Specifically, we calculate percent errors in the reflected intensity for various directions of light incidence and reflection, optical thicknesses of the atmosphere, single-scattering albedos, depolarization factors, and surface albedos. The numerical data displayed can be used to decide whether or not the scalar approximation may be employed depending on the parameters of the problem. We show that the errors decrease with increasing depolarization factor and/or increasing surface albedo. For conservative or nearly conservative scattering and small surface albedos, the errors are maximum at optical thicknesses of about 1. The calculated errors may be too large for some practical applications, and, therefore, rigorous vector calculations should be employed whenever possible. However, if approximate scalar calculations are used, we recommend to avoid geometries involving phase angles equal or close to 0 deg and 90 deg, where the errors are especially significant. We propose a theoretical explanation of the large vector/scalar differences in the case of Rayleigh scattering. According to this explanation, the differences are caused by the particular structure of the Rayleigh scattering matrix and come from lower-order (except first-order) light scattering paths involving right scattering angles and right-angle rotations of the scattering plane.

Development and psychometric evaluation of the nursing instructors' clinical teaching performance inventory.

PubMed

A Farahani, Mansoureh; Emamzadeh Ghasemi, Hormat Sadat; Nikpaima, Nasrin; Fereidooni, Zhila; Rasoli, Maryam

2014-10-29

Evaluation of nursing instructors' clinical teaching performance is a prerequisite to the quality assurance of nursing education. One of the most common procedures for this purpose is using student evaluations. This study was to develop and evaluate the psychometric properties of Nursing Instructors' Clinical Teaching Performance Inventory (NICTPI). The primary items of the inventory were generated by reviewing the published literature and the existing questionnaires as well as consulting with the members of the Faculties Evaluation Committee of the study setting. Psychometric properties were assessed by calculating its content validity ratio and index, and test-retest correlation coefficient as well as conducting an exploratory factor analysis and an internal consistency assessment. The content validity ratios and indices of the items were respectively higher than 0.85 and 0.79. The final version of the inventory consisted of 25 items, and in the exploratory factor analysis, items were loaded on three factors which jointly accounting for 72.85% of the total variance. The test-retest correlation coefficient and the Cronbach's alpha of the inventory were 0.93 and 0.973, respectively. The results revealed that the developed inventory is an appropriate, valid, and reliable instrument for evaluating nursing instructors' clinical teaching performance.

Pacific students undertaking the first year of health sciences at the University of Otago, and factors associated with academic performance.

PubMed

Sopoaga, Faafetai; Zaharic, Tony; Kokaua, Jesse; Ekeroma, Alec J; Murray, Greg; van der Meer, Jacques

2013-10-18

To describe Pacific students in the first year of health sciences at tertiary level, their academic performance, and factors associated with academic outcomes. Routinely collected data for students who enrolled in the Health Sciences First Year (HSFY) programme at the University of Otago between 2007 and 2011, including their school National Certificate in Educational Achievement (NCEA) results were obtained in anonymous form. Descriptive statistics were calculated and regression analyses were undertaken using SAS v9.2 software. A small but increasing number of Pacific students are enrolling in health sciences at tertiary level. Pacific students had poorer performance compared to non-Pacific students in both NCEA and the HSFY programme. Factors associated with academic performance were gender, NCEA results, school decile, accommodation type, ethnicity, international status and disability. Pacific students are under-represented in health sciences and would benefit from better preparation from school. Pacific solutions are required to improve academic outcomes over and above mainstream policy solutions. Tertiary institutions need to engage prospective students earlier to ensure they are well informed of requirements, and are appropriately prepared for study at the tertiary level.

Glucose regulation is associated with cognitive performance in young nondiabetic adults.

PubMed

Messier, Claude; Awad-Shimoon, Nesrine; Gagnon, Michèle; Desrochers, Alain; Tsiakas, Maria

2011-09-12

Several studies have documented an increased incidence of dementia among diabetic patients. In addition, impaired glucose regulation in both, younger and older adults, has been shown to be associated with neuropsychological deficits, particularly of episodic memory. The main purpose of this study was to examine this association in a large sample of young nondiabetic adults. All participants underwent a glucose tolerance test together with measures of insulin levels and lipids. Regression analyses revealed that glucoregulatory indices based on evoked glucose levels were significantly associated with the verbal memory performance of 122 young adults, independent of demographic and vascular risk factors. Participants were assessed after drinking glucose or saccharin, using a repeated-measures design. There was no effect of glucose on cognitive performance. Glucoregulatory indices calculated on the basis of insulin levels or fasting glucose levels explained less cognitive variability compared to indices based on evoked glucose levels. Cardiovascular risk factors were associated with hyperinsulinemia but these factors were not associated with cognitive performance in this young adult group. These findings suggest that cognitive decrements are observable in young, nondiabetic adults, prior to the onset of impaired glucose regulation and diabetes. Copyright © 2011 Elsevier B.V. All rights reserved.

Absolute Single Photoionization Cross Sections of Se^3+ For the Determination of Elemental Abundances in Planetary Nebulae

NASA Astrophysics Data System (ADS)

Esteves, David; Sterling, Nicholas; Aguilar, Alex; Kilcoyne, A. L. David; Phaneuf, Ronald; Bilodeau, Rene; Red, Eddie; McLaughlin, Brendan; Norrington, Patrick; Balance, Connor

2009-05-01

Numerical simulations show that derived elemental abundances in astrophysical nebulae can be uncertain by factors of two or more due to atomic data uncertainties alone, and of these uncertainties, absolute photoionization cross sections are the most important. Absolute single photoionization cross sections for Se^3+ ions have been measured from 42 eV to 56 eV at the ALS using the merged beams photo-ion technique. Theoretical photoionization cross section calculations were also performed for these ions using the state-of-the-art fully relativistic Dirac R-matrix code (DARC). The calculations show encouraging agreement with the experimental measurements.

Using copper substrate to enhance the thermal conductivity of top-emission organic light-emitting diodes for improving the luminance efficiency and lifetime

NASA Astrophysics Data System (ADS)

Tsai, Yu-Sheng; Wang, Shun-Hsi; Chen, Chuan-Hung; Cheng, Chien-Lung; Liao, Teh-Chao

2009-12-01

The influence of heat dissipation on the performances of organic light-emitting diode (OLED) is investigated by measuring junction temperature and by calculating the rate of heat flow. The calculated rate of heat flow reveals that the key factors include the thermal conductivity, the substrate thickness, and the UV glue. Moreover, the use of copper substrate can effectively dissipate the joule heat, which then reduces the temperature gradient. Finally, it is shown that the use of a high thermal conductivity thinner substrate can enhance the thermal conductivity of OLED and the luminance efficiency as well.

Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation

NASA Astrophysics Data System (ADS)

Hudson, Brian D.; George, Ashley R.; Ford, Martyn G.; Livingstone, David J.

1992-04-01

Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study.

Astrophysical S-factor for destructive reactions of lithium-7 in big bang nucleosynthesis

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

Komatsubara, Tetsuro; Kwon, YoungKwan; Moon, JunYoung

One of the most prominent success with the Big Bang models is the precise reproduction of mass abundance ratio for {sup 4}He. In spite of the success, abundances of lithium isotopes are still inconsistent between observations and their calculated results, which is known as lithium abundance problem. Since the calculations were based on the experimental reaction data together with theoretical estimations, more precise experimental measurements may improve the knowledge of the Big Bang nucleosynthesis. As one of the destruction process of lithium-7, we have performed measurements for the reaction cross sections of the {sup 7}L({sup 3}He,p){sup 9}Be reaction.

Defining the minimum temporal and spatial scales available from a new 72-month Nimbus-7 Earth Radiation Budget climate data set

NASA Technical Reports Server (NTRS)

Randel, D. L.; Campbell, G. G.; Vonder Haar, T. H.; Smith, L.

1986-01-01

Scale factors and assumptions which were applied in calculations of global radiation budget parameters based on ERB data are discussed. The study was performed to examine the relationship between the composite global ERB map that can be generated every six days using all available data and the actual average global ERB. The wide field of view ERB instrument functioned for the first 19 months of the Nimbus-7 life, and furnished sufficient data for calculating actual ERB averages. The composite was most accurate in regions with the least variation in radiation budget.

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene IV. 3,3-Dimethyl-1,2-bis(trimethylgermyl)cyclopropene

NASA Astrophysics Data System (ADS)

Panchenko, Yu. N.; De Maré, G. R.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

2003-06-01

The infrared (IR) and Raman spectra of 3,3-dimethyl-1,2-bis(trimethylgermyl)cyclopropene (I) were measured in the liquid phase. Total geometry optimisation was performed at the HF/6-31G* level. The HF/6-31G*//HF6-31G* quantum mechanical force field (QMFF) was calculated and used to determine the theoretical fundamental vibrational frequencies, their predicted IR intensities, Raman activities, and Raman depolarisation ratios. Using Pulay's scaling method and the theoretical molecular geometry, the QMFF of I was scaled by a set of scaling factors comprised of elements transferred from the sets used to correct the QMFF's of 3,3-dimethylbutene-1, and 1-methyl-, 1,2-dimethyl-, and 3,3-dimethylcyclopropene (17 scale factors for a 105-dimensional problem). This set of scale factors was used previously to correct the QMFF of 3,3-dimethyl-1,2-bis(tert-butyl)cyclopropene and 3,3-dimethyl-1,2-bis(trimethylsilyl)cyclopropene. The scaled QMFF obtained was used to solve the vibrational problem. Differential Raman cross-sections were calculated using the quantum mechanical values of the Raman activities. The appropriate theoretical spectrograms for the Raman and IR spectra of I were constructed. Assignments of the experimental vibrational spectra of I are given. They take into account the calculated potential energy distributions and the correlation between the estimations of the experimental IR and Raman intensities and Raman depolarisation ratios and the corresponding theoretical values calculated using the unscaled QMFF.

Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites.

PubMed

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2018-02-01

The performance of lead-halide perovskites in optoelectronic devices is due to a unique combination of factors, including highly efficient generation, transport, and collection of photogenerated charge carriers. The mechanism behind efficient charge generation in lead-halide perovskites is still largely unknown. Here, we investigate the factors that influence the exciton binding energy (E b ) in a series of metal-halide perovskites using accurate first-principles calculations based on solution of the Bethe-Salpeter equation, coupled to ab initio molecular dynamics simulations. We find that E b is strongly modulated by screening from low-energy phonons, which account for a factor ∼2 E b reduction, while dynamic disorder and rotational motion of the organic cations play a minor role. We calculate E b = 15 meV for MAPbI 3 , in excellent agreement with recent experimental estimates. We then explore how different material combinations (e.g., replacing Pb → Pb:Sn→ Sn; and MA → FA → Cs) may lead to different E b values and highlight the mechanisms underlying E b tuning.

Effective mass and Fermi surface complexity factor from ab initio band structure calculations

NASA Astrophysics Data System (ADS)

Gibbs, Zachary M.; Ricci, Francesco; Li, Guodong; Zhu, Hong; Persson, Kristin; Ceder, Gerbrand; Hautier, Geoffroy; Jain, Anubhav; Snyder, G. Jeffrey

2017-02-01

The effective mass is a convenient descriptor of the electronic band structure used to characterize the density of states and electron transport based on a free electron model. While effective mass is an excellent first-order descriptor in real systems, the exact value can have several definitions, each of which describe a different aspect of electron transport. Here we use Boltzmann transport calculations applied to ab initio band structures to extract a density-of-states effective mass from the Seebeck Coefficient and an inertial mass from the electrical conductivity to characterize the band structure irrespective of the exact scattering mechanism. We identify a Fermi Surface Complexity Factor: Nv*K* from the ratio of these two masses, which in simple cases depends on the number of Fermi surface pockets (Nv* ) and their anisotropy K*, both of which are beneficial to high thermoelectric performance as exemplified by the high values found in PbTe. The Fermi Surface Complexity factor can be used in high-throughput search of promising thermoelectric materials.

In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved?

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

Perras, Frédéric A.; Sadow, Aaron; Pruski, Marek

Numerical calculations of enhancement factors offered by dynamic nuclear polarization in solids under magic angle spinning (DNP-MAS) were performed to determine the optimal EPR parameters for a dinitroxide polarizing agent. We found that the DNP performance of a biradical is more tolerant to the relative orientation of the two nitroxide moieties than previously thought. In general, any condition in which the gyy tensor components of both radicals are perpendicular to one another is expected to have near-optimal DNP performance. These results highlight the important role of the exchange coupling, which can lessen the sensitivity of DNP performance to the inter-radicalmore » distance, but also lead to lower enhancements when the number of atoms in the linker becomes less than three. Finally, the calculations showed that the electron T1e value should be near 500μs to yield optimal performance. Importantly, the newest polarizing agents already feature all of the qualities of the optimal polarizing agent, leaving little room for further improvement. Further research into DNP polarizing agents should then target non-nitroxide radicals, as well as improvements in sample formulations to advance high-temperature DNP and limit quenching and reactivity.« less

In Silico Design of DNP Polarizing Agents: Can Current Dinitroxides Be Improved?

DOE PAGES

Perras, Frédéric A.; Sadow, Aaron; Pruski, Marek

2017-06-09

Numerical calculations of enhancement factors offered by dynamic nuclear polarization in solids under magic angle spinning (DNP-MAS) were performed to determine the optimal EPR parameters for a dinitroxide polarizing agent. We found that the DNP performance of a biradical is more tolerant to the relative orientation of the two nitroxide moieties than previously thought. In general, any condition in which the gyy tensor components of both radicals are perpendicular to one another is expected to have near-optimal DNP performance. These results highlight the important role of the exchange coupling, which can lessen the sensitivity of DNP performance to the inter-radicalmore » distance, but also lead to lower enhancements when the number of atoms in the linker becomes less than three. Finally, the calculations showed that the electron T1e value should be near 500μs to yield optimal performance. Importantly, the newest polarizing agents already feature all of the qualities of the optimal polarizing agent, leaving little room for further improvement. Further research into DNP polarizing agents should then target non-nitroxide radicals, as well as improvements in sample formulations to advance high-temperature DNP and limit quenching and reactivity.« less

Procedure for Determining Speed and Climbing Performance of Airships

NASA Technical Reports Server (NTRS)

Thompson, F L

1936-01-01

The procedure for obtaining air-speed and rate-of-climb measurements in performance tests of airships is described. Two methods of obtaining speed measurements, one by means of instruments in the airship and the other by flight over a measured ground course, are explained. Instruments, their calibrations, necessary correction factors, observations, and calculations are detailed for each method, and also for the rate-of-climb tests. A method of correction for the effect on density of moist air and a description of other methods of speed course testing are appended.

Numerical calculation of listener-specific head-related transfer functions and sound localization: Microphone model and mesh discretization

PubMed Central

Ziegelwanger, Harald; Majdak, Piotr; Kreuzer, Wolfgang

2015-01-01

Head-related transfer functions (HRTFs) can be numerically calculated by applying the boundary element method on the geometry of a listener’s head and pinnae. The calculation results are defined by geometrical, numerical, and acoustical parameters like the microphone used in acoustic measurements. The scope of this study was to estimate requirements on the size and position of the microphone model and on the discretization of the boundary geometry as triangular polygon mesh for accurate sound localization. The evaluation involved the analysis of localization errors predicted by a sagittal-plane localization model, the comparison of equivalent head radii estimated by a time-of-arrival model, and the analysis of actual localization errors obtained in a sound-localization experiment. While the average edge length (AEL) of the mesh had a negligible effect on localization performance in the lateral dimension, the localization performance in sagittal planes, however, degraded for larger AELs with the geometrical error as dominant factor. A microphone position at an arbitrary position at the entrance of the ear canal, a microphone size of 1 mm radius, and a mesh with 1 mm AEL yielded a localization performance similar to or better than observed with acoustically measured HRTFs. PMID:26233020

Higgs boson gluon-fusion production in QCD at three loops.

PubMed

Anastasiou, Charalampos; Duhr, Claude; Dulat, Falko; Herzog, Franz; Mistlberger, Bernhard

2015-05-29

We present the cross section for the production of a Higgs boson at hadron colliders at next-to-next-to-next-to-leading order (N^{3}LO) in perturbative QCD. The calculation is based on a method to perform a series expansion of the partonic cross section around the threshold limit to an arbitrary order. We perform this expansion to sufficiently high order to obtain the value of the hadronic cross at N^{3}LO in the large top-mass limit. For renormalization and factorization scales equal to half the Higgs boson mass, the N^{3}LO corrections are of the order of +2.2%. The total scale variation at N^{3}LO is 3%, reducing the uncertainty due to missing higher order QCD corrections by a factor of 3.

Validation of total skin electron irradiation (TSEI) technique dosimetry data by Monte Carlo simulation

PubMed Central

Borzov, Egor; Daniel, Shahar; Bar‐Deroma, Raquel

2016-01-01

Total skin electron irradiation (TSEI) is a complex technique which requires many nonstandard measurements and dosimetric procedures. The purpose of this work was to validate measured dosimetry data by Monte Carlo (MC) simulations using EGSnrc‐based codes (BEAMnrc and DOSXYZnrc). Our MC simulations consisted of two major steps. In the first step, the incident electron beam parameters (energy spectrum, FWHM, mean angular spread) were adjusted to match the measured data (PDD and profile) at SSD=100 cm for an open field. In the second step, these parameters were used to calculate dose distributions at the treatment distance of 400 cm. MC simulations of dose distributions from single and dual fields at the treatment distance were performed in a water phantom. Dose distribution from the full treatment with six dual fields was simulated in a CT‐based anthropomorphic phantom. MC calculations were compared to the available set of measurements used in clinical practice. For one direct field, MC calculated PDDs agreed within 3%/1 mm with the measurements, and lateral profiles agreed within 3% with the measured data. For the OF, the measured and calculated results were within 2% agreement. The optimal angle of 17° was confirmed for the dual field setup. Dose distribution from the full treatment with six dual fields was simulated in a CT‐based anthropomorphic phantom. The MC‐calculated multiplication factor (B12‐factor), which relates the skin dose for the whole treatment to the dose from one calibration field, for setups with and without degrader was 2.9 and 2.8, respectively. The measured B12‐factor was 2.8 for both setups. The difference between calculated and measured values was within 3.5%. It was found that a degrader provides more homogeneous dose distribution. The measured X‐ray contamination for the full treatment was 0.4%; this is compared to the 0.5% X‐ray contamination obtained with the MC calculation. Feasibility of MC simulation in an anthropomorphic phantom for a full TSEI treatment was proved and is reported for the first time in the literature. The results of our MC calculations were found to be in general agreement with the measurements, providing a promising tool for further studies of dose distribution calculations in TSEI. PACS number(s): 87.10. Rt, 87.55.K, 87.55.ne PMID:27455502

On the Validity of Beer-Lambert Law and its Significance for Sunscreens.

PubMed

Herzog, Bernd; Schultheiss, Amélie; Giesinger, Jochen

2018-03-01

The sun protection factor (SPF) is the most important quantity to characterize the performance of sunscreens. As the standard method for its determination is based on clinical trials involving irradiation of human volunteers, calculations of sunscreen performance have become quite popular to reduce the number of in vivo studies. Such simulations imply the calculation of UV transmittance of the sunscreen film using the amounts and spectroscopic properties of the UV absorbers employed, and presuppose the validity of the Beer-Lambert law. As sunscreen films on human skin can contain considerable concentrations of UV absorbers, it is questioned whether the Beer-Lambert law is still valid for these systems. The results of this work show that the validity of the Beer-Lambert law is still given at the high concentrations at which UV absorbers occur in sunscreen films on human skin. © 2017 The American Society of Photobiology.

Assessment of four calculation methods proposed by the EC for waste hazardous property HP 14 'Ecotoxic'.

PubMed

Hennebert, Pierre; Humez, Nicolas; Conche, Isabelle; Bishop, Ian; Rebischung, Flore

2016-02-01

Legislation published in December 2014 revised both the List of Waste (LoW) and amended Appendix III of the revised Waste Framework Directive 2008/98/EC; the latter redefined hazardous properties HP 1 to HP 13 and HP 15 but left the assessment of HP 14 unchanged to allow time for the Directorate General of the Environment of the European Commission to complete a study that is examining the impacts of four different calculation methods for the assessment of HP 14. This paper is a contribution to the assessment of the four calculation methods. It also includes the results of a fifth calculation method; referred to as "Method 2 with extended M-factors". Two sets of data were utilised in the assessment; the first (Data Set #1) comprised analytical data for 32 different waste streams (16 hazardous (H), 9 non-hazardous (NH) and 7 mirror entries, as classified by the LoW) while the second data set (Data Set #2), supplied by the eco industries, comprised analytical data for 88 waste streams, all classified as hazardous (H) by the LoW. Two approaches were used to assess the five calculation methods. The first approach assessed the relative ranking of the five calculation methods by the frequency of their classification of waste streams as H. The relative ranking of the five methods (from most severe to less severe) is: Method 3>Method 1>Method 2 with extended M-factors>Method 2>Method 4. This reflects the arithmetic ranking of the concentration limits of each method when assuming M=10, and is independent of the waste streams, or the H/NH/Mirror status of the waste streams. A second approach is the absolute matching or concordance with the LoW. The LoW is taken as a reference method and the H wastes are all supposed to be HP 14. This point is discussed in the paper. The concordance for one calculation method is established by the number of wastes with identical classification by the considered calculation method and the LoW (i.e. H to H, NH to NH). The discordance is established as well, that is when the waste is classified "H" in the LoW and "NH" by calculation (i.e. an under-estimation of the hazard). For Data Set #1, Method 2 with extended M-factors matches best with the LoW (80% concordant H and non-H by LoW, and 13% discordant for H waste by LoW). This method more correctly classifies wastes containing substances with high ecotoxicity. Methods 1 and 3 have nearly as good matches (76% and 72% concordant H and non-H by LoW, and 13% and 6% respectively discordant for H waste by LoW). Method 2 with extended M-factors, but limited to the M-factors published in the CLP has insufficient concordance (64% concordant H and non-H by LoW, and 50% discordant for H waste by LoW). As the same method with extended M-factors gives the best performance, the lower performance is due to the limited set of M-factors in the CLP. Method 4 is divergent (60% concordant H and non-H by LoW, and 56% discordant for H waste by LoW). For Data Set #2, Methods 2 and 4 do not correctly classify 24 air pollution control residues from incineration 19 01 07(∗) (3/24 and 2/24 respectively), and should not be used, while Methods 3, 1 and 2 with extended M-factors successfully classify 100% of them as hazardous. From the two sets of data, Method 2 with extended M-factors (corresponding more closely to the CLP methods used for products) matches best with the LoW when the LoW code is safely known, and Method 3 and 1 will deviate from the LoW if the samples contain substances with high ecotoxicity (in particular PAHs). Methods 2 and 4 are not recommended. Formally, this conclusion depends on the waste streams that are used for the comparison of methods and the relevancy of the classification as hazardous for ecotoxicity in the LoW. Since the set is large (120 waste streams) and no selection has been made here in the available data, the conclusion should be robust. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

Dowdy, M.W.; Couch, M.D.

A vehicle comparison methodology based on the Otto-Engine Equivalent (OEE) vehicle concept is described. As an illustration of this methodology, the concept is used to make projections of the fuel economy potential of passenger cars using various alternative power systems. Sensitivities of OEE vehicle results to assumptions made in the calculational procedure are discussed. Factors considered include engine torque boundary, rear axle ratio, performance criteria, engine transient response, and transmission shift logic.

Variability in the performance of preventive services and in the degree of control of identified health problems: A primary care study protocol

PubMed Central

Bolíbar, Bonaventura; Pareja, Clara; Astier-Peña, M Pilar; Morán, Julio; Rodríguez-Blanco, Teresa; Rosell-Murphy, Magdalena; Iglesias, Manuel; Juncosa, Sebastián; Mascort, Juanjo; Violan, Concepció; Magallón, Rosa; Apezteguia, Javier

2008-01-01

Background Preventive activities carried out in primary care have important variability that makes necessary to know which factors have an impact in order to establish future strategies for improvement. The present study has three objectives: 1) To describe the variability in the implementation of 7 preventive services (screening for smoking status, alcohol abuse, hypertension, hypercholesterolemia, obesity, influenza and tetanus immunization) and to determine their related factors; 2) To describe the degree of control of 5 identified health problems (smoking, alcohol abuse, hypertension, hypercholesterolemia and obesity); 3) To calculate intraclass correlation coefficients. Design Multi-centered cross-sectional study of a randomised sample of primary health care teams from 3 regions of Spain designed to analyse variability and related factors of 7 selected preventive services in years 2006 and 2007. At the end of 2008, we will perform a cross-sectional study of a cohort of patients attended in 2006 or 2007 to asses the degree of control of 5 identified health problems. All subjects older than16 years assigned to a randomised sample of 22 computerized primary health care teams and attended during the study period are included in each region providing a sample with more than 850.000 subjects. The main outcome measures will be implementation of 7 preventive services and control of 5 identified health problems. Furthermore, there will be 3 levels of data collection: 1) Patient level (age, gender, morbidity, preventive services, attendance); 2) Health-care professional level (professional characteristics, years working at the team, workload); 3) Team level (characteristics, electronic clinical record system). Data will be transferred from electronic clinical records to a central database with prior encryption and dissociation of subject, professional and team identity. Global and regional analysis will be performed including standard analysis for primary health care teams and health-care professional level. Linear and logistic regression multilevel analysis adjusted for individual and cluster variables will also be performed. Variability in the number of preventive services implemented will be calculated with Poisson multilevel models. Team and health-care professional will be considered random effects. Intraclass correlation coefficients, standard error and variance components for the different outcome measures will be calculated. PMID:18691407

Jitter Controller Software

NASA Technical Reports Server (NTRS)

Lansdowne, Chatwin; Schlensinger, Adam

2011-01-01

Sinusoidal jitter is produced by simply modulating a clock frequency sinusoidally with a given frequency and amplitude. But this can be expressed as phase jitter, frequency jitter, or cycle-to-cycle jitter, rms or peak, absolute units, or normalized to the base clock frequency. Jitter using other waveforms requires calculating and downloading these waveforms to an arbitrary waveform generator, and helping the user manage relationships among phase jitter crest factor, frequency jitter crest factor, and cycle-to-cycle jitter (CCJ) crest factor. Software was developed for managing these relationships, automatically configuring the generator, and saving test results documentation. Tighter management of clock jitter and jitter sensitivity is required by new codes that further extend the already high performance of space communication links, completely correcting symbol error rates higher than 10 percent, and therefore typically requiring demodulation and symbol synchronization hardware to operating at signal-to-noise ratios of less than one. To accomplish this, greater demands are also made on transmitter performance, and measurement techniques are needed to confirm performance. It was discovered early that sinusoidal jitter can be stepped on a grid such that one can connect points by constant phase jitter, constant frequency jitter, or constant cycle-cycle jitter. The tool automates adherence to a grid while also allowing adjustments off-grid. Also, the jitter can be set by the user on any dimension and the others are calculated. The calculations are all recorded, allowing the data to be rapidly plotted or re-plotted against different interpretations just by changing pointers to columns. A key advantage is taking data on a carefully controlled grid, which allowed a single data set to be post-analyzed many different ways. Another innovation was building a software tool to provide very tight coupling between the generator and the recorded data product, and the operator's worksheet. Together, these allowed the operator to sweep the jitter stimulus quickly along any of three dimensions and focus on the response of the system under test (response was jitter transfer ratio, or performance degradation to the symbol or codeword error rate). Additionally, managing multi-tone and noise waveforms automated a tedious manual process, and provided almost instantaneous decision- making control over test flow. The code was written in LabVIEW, and calls Agilent instrument drivers to write to the generator hardware.

Geometry optimization for micro-pressure sensor considering dynamic interference

NASA Astrophysics Data System (ADS)

Yu, Zhongliang; Zhao, Yulong; Li, Lili; Tian, Bian; Li, Cun

2014-09-01

Presented is the geometry optimization for piezoresistive absolute micro-pressure sensor. A figure of merit called the performance factor (PF) is defined as a quantitative index to describe the comprehensive performances of a sensor including sensitivity, resonant frequency, and acceleration interference. Three geometries are proposed through introducing islands and sensitive beams into typical flat diaphragm. The stress distributions of sensitive elements are analyzed by finite element method. Multivariate fittings based on ANSYS simulation results are performed to establish the equations about surface stress, deflection, and resonant frequency. Optimization by MATLAB is carried out to determine the dimensions of the geometries. Convex corner undercutting is evaluated. Each PF of the three geometries with the determined dimensions is calculated and compared. Silicon bulk micromachining is utilized to fabricate the prototypes of the sensors. The outputs of the sensors under both static and dynamic conditions are tested. Experimental results demonstrate the rationality of the defined performance factor and reveal that the geometry with quad islands presents the highest PF of 210.947 Hz1/4. The favorable overall performances enable the sensor more suitable for altimetry.

Exchange enhancement of the electron g-factor in a two-dimensional semimetal in HgTe quantum wells

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

Bovkun, L. S., E-mail: bovkun@ipmras.ru; Krishtopenko, S. S.; Zholudev, M. S.

The exchange enhancement of the electron g-factor in perpendicular magnetic fields to 12 T in HgTe/CdHgTe quantum wells 20 nm wide with a semimetal band structure is studied. The electron effective mass and g-factor at the Fermi level are determined by analyzing the temperature dependence of the amplitude of Shubnikov–de Haas oscillation in weak fields and near odd Landau-level filling factors ν ≤ 9. The experimental values are compared with theoretical calculations performed in the one-electron approximation using the eight-band kp Hamiltonian. The found dependence of g-factor enhancement on the electron concentration is explained by changes in the contributions ofmore » hole- and electron-like states to exchange corrections to the Landau-level energies in the conduction band.« less

Quantifying cognition and behavior in normal aging, mild cognitive impairment, and Alzheimer's disease

NASA Astrophysics Data System (ADS)

Giraldo, Diana L.; Sijbers, Jan; Romero, Eduardo

2017-11-01

The diagnosis of Alzheimer's disease (AD) and mild cognitive impairment (MCI) is based on neuropsychological evaluation of the patient. Different cognitive and memory functions are assessed by a battery of tests that are composed of items devised to specifically evaluate such upper functions. This work aims to identify and quantify the factors that determine the performance in neuropsychological evaluation by conducting an Exploratory Factor Analysis (EFA). For this purpose, using data from the Alzheimer's Disease Neuroimaging Initiative (ADNI), EFA was applied to 67 item scores taken from the baseline neuropsychological battery of the three phases of ADNI study. The found factors are directly related to specific brain functions such as memory, behavior, orientation, or verbal fluency. The identification of factors is followed by the calculation of factor scores given by weighted linear combinations of the items scores.

Agility performance in high-level junior basketball players: the predictive value of anthropometrics and power qualities.

PubMed

Sisic, Nedim; Jelicic, Mario; Pehar, Miran; Spasic, Miodrag; Sekulic, Damir

2016-01-01

In basketball, anthropometric status is an important factor when identifying and selecting talents, while agility is one of the most vital motor performances. The aim of this investigation was to evaluate the influence of anthropometric variables and power capacities on different preplanned agility performances. The participants were 92 high-level, junior-age basketball players (16-17 years of age; 187.6±8.72 cm in body height, 78.40±12.26 kg in body mass), randomly divided into a validation and cross-validation subsample. The predictors set consisted of 16 anthropometric variables, three tests of power-capacities (Sargent-jump, broad-jump and medicine-ball-throw) as predictors. The criteria were three tests of agility: a T-Shape-Test; a Zig-Zag-Test, and a test of running with a 180-degree turn (T180). Forward stepwise multiple regressions were calculated for validation subsamples and then cross-validated. Cross validation included correlations between observed and predicted scores, dependent samples t-test between predicted and observed scores; and Bland Altman graphics. Analysis of the variance identified centres being advanced in most of the anthropometric indices, and medicine-ball-throw (all at P<0.05); with no significant between-position-differences for other studied motor performances. Multiple regression models originally calculated for the validation subsample were then cross-validated, and confirmed for Zig-zag-Test (R of 0.71 and 0.72 for the validation and cross-validation subsample, respectively). Anthropometrics were not strongly related to agility performance, but leg length is found to be negatively associated with performance in basketball-specific agility. Power capacities are confirmed to be an important factor in agility. The results highlighted the importance of sport-specific tests when studying pre-planned agility performance in basketball. The improvement in power capacities will probably result in an improvement in agility in basketball athletes, while anthropometric indices should be used in order to identify those athletes who can achieve superior agility performance.

Do emotional intelligence and previous caring experience influence student nurse performance? A comparative analysis.

PubMed

Stenhouse, Rosie; Snowden, Austyn; Young, Jenny; Carver, Fiona; Carver, Hannah; Brown, Norrie

2016-08-01

Reports of poor nursing care have focused attention on values based selection of candidates onto nursing programmes. Values based selection lacks clarity and valid measures. Previous caring experience might lead to better care. Emotional intelligence (EI) might be associated with performance, is conceptualised and measurable. To examine the impact of 1) previous caring experience, 2) emotional intelligence 3) social connection scores on performance and retention in a cohort of first year nursing and midwifery students in Scotland. A longitudinal, quasi experimental design. Adult and mental health nursing, and midwifery programmes in a Scottish University. Adult, mental health and midwifery students (n=598) completed the Trait Emotional Intelligence Questionnaire-short form and Schutte's Emotional Intelligence Scale on entry to their programmes at a Scottish University, alongside demographic and previous caring experience data. Social connection was calculated from a subset of questions identified within the TEIQue-SF in a prior factor and Rasch analysis. Student performance was calculated as the mean mark across the year. Withdrawal data were gathered. 598 students completed baseline measures. 315 students declared previous caring experience, 277 not. An independent-samples t-test identified that those without previous caring experience scored higher on performance (57.33±11.38) than those with previous caring experience (54.87±11.19), a statistically significant difference of 2.47 (95% CI, 0.54 to 4.38), t(533)=2.52, p=.012. Emotional intelligence scores were not associated with performance. Social connection scores for those withdrawing (mean rank=249) and those remaining (mean rank=304.75) were statistically significantly different, U=15,300, z=-2.61, p$_amp_$lt;0.009. Previous caring experience led to worse performance in this cohort. Emotional intelligence was not a useful indicator of performance. Lower scores on the social connection factor were associated with withdrawal from the course. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis, characterization, and DFT studies of a new chiral ionic liquid from (S)-1-phenylethylamine

NASA Astrophysics Data System (ADS)

Cui, Shuya; Wang, Tao; Hu, Xiaoli

2014-12-01

A new chiral ionic liquid was synthesized from (S)-1-phenylethylamine and it was studied by IR, Raman, polarimetry, NMR and X-ray crystal diffraction. Its vibrational spectral bands are precisely ascribed to the studied structure with the aid of DFT theoretical calculations. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. The vibrational spectral data obtained from IR and Raman spectra are assigned based on the results of the theoretical calculations by the DFT-B3LYP method at 6-311G(d,p) level. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The vibrational modes assignments were performed by using the animation option of GaussView5.0 graphical interface for Gaussian program.

Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method

NASA Astrophysics Data System (ADS)

Gilbreth, C. N.; Alhassid, Y.

2015-03-01

Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.

Molecular simulations of Crussard curves of detonation product mixtures at chemical equilibrium: Microscopic calculation of the Chapman-Jouguet state

NASA Astrophysics Data System (ADS)

Bourasseau, Emeric; Dubois, Vincent; Desbiens, Nicolas; Maillet, Jean-Bernard

2007-06-01

The simultaneous use of the Reaction Ensemble Monte Carlo (ReMC) method and the Adaptative Erpenbeck EOS (AE-EOS) method allows us to calculate direclty the thermodynamical and chemical equilibrium of a mixture on the hugoniot curve. The ReMC method allow to reach chemical equilibrium of detonation products and the AE-EOS method constraints ths system to satisfy the Hugoniot relation. Once the Crussard curve of detonation products has been established, CJ state properties may be calculated. An additional NPT simulation is performed at CJ conditions in order to compute derivative thermodynamic quantities like Cp, Cv, Gruneisen gama, sound velocity, and compressibility factor. Several explosives has been studied, of which PETN, nitromethane, tetranitromethane, and hexanitroethane. In these first simulations, solid carbon is eventually treated using an EOS.

CLUMPY: A code for γ-ray signals from dark matter structures

NASA Astrophysics Data System (ADS)

Charbonnier, Aldée; Combet, Céline; Maurin, David

2012-03-01

We present the first public code for semi-analytical calculation of the γ-ray flux astrophysical J-factor from dark matter annihilation/decay in the Galaxy, including dark matter substructures. The core of the code is the calculation of the line of sight integral of the dark matter density squared (for annihilations) or density (for decaying dark matter). The code can be used in three modes: i) to draw skymaps from the Galactic smooth component and/or the substructure contributions, ii) to calculate the flux from a specific halo (that is not the Galactic halo, e.g. dwarf spheroidal galaxies) or iii) to perform simple statistical operations from a list of allowed DM profiles for a given object. Extragalactic contributions and other tracers of DM annihilation (e.g. positrons, anti-protons) will be included in a second release.

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.

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

Farhi, David; Feige, Ilya; Freytsis, Marat

Some of the most arduous and error-prone aspects of precision resummed calculations are related to the partonic hard process, having nothing to do with the resummation. In particular, interfacing to parton-distribution functions, combining various channels, and performing the phase space integration can be limiting factors in completing calculations. Conveniently, however, most of these tasks are already automated in many Monte Carlo programs, such as MadGraph [1], Alpgen [2] or Sherpa [3]. In this paper, we show how such programs can be used to produce distributions of partonic kinematics with associated color structures representing the hard factor in a resummed distribution.more » These distributions can then be used to weight convolutions of jet, soft and beam functions producing a complete resummed calculation. In fact, only around 1000 unweighted events are necessary to produce precise distributions. A number of examples and checks are provided, including e +e – two- and four-jet event shapes, n-jettiness and jet-mass related observables at hadron colliders at next-to-leading-log (NLL) matched to leading order (LO). Furthermore, the attached code can be used to modify MadGraph to export the relevant LO hard functions and color structures for arbitrary processes.« less

Initial validation of the Spanish childhood trauma questionnaire-short form: factor structure, reliability and association with parenting.

PubMed

Hernandez, Ana; Gallardo-Pujol, David; Pereda, Noemí; Arntz, Arnoud; Bernstein, David P; Gaviria, Ana M; Labad, Antonio; Valero, Joaquín; Gutiérrez-Zotes, Jose Alfonso

2013-05-01

The present study examines the internal consistency and factor structure of the Spanish version of the Childhood Trauma Questionnaire-Short Form (CTQ-SF) and the association between the CTQ-SF subscales and parenting style. Cronbach's α and confirmatory factor analyses (CFA) were performed in a female clinical sample (n = 185). Kendall's ι correlations were calculated between the maltreatment and parenting scales in a subsample of 109 patients. The Spanish CTQ-SF showed adequate psychometric properties and a good fit of the 5-factor structure. The neglect and abuse scales were negatively associated with parental care and positively associated with overprotection scales. The results of this study provide initial support for the reliability and validity of the Spanish CTQ-SF.

Measurements of K shell absorption jump factors and jump ratios using EDXRF technique

NASA Astrophysics Data System (ADS)

Kacal, Mustafa Recep; Han, İbrahim; Akman, Ferdi

2015-04-01

In the present work, the K-shell absorption jump factors and jump ratios for 30 elements between Ti ( Z = 22) and Er ( Z = 68) were measured by energy dispersive X-ray fluorescence (EDXRF) technique. The jump factors and jump ratios for these elements were determined by measuring the K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to- Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using an Am-241 radioactive point source and a Si (Li) detector in direct excitation and transmission experimental geometry. The results for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature.

SU-E-T-250: New IMRT Sequencing Strategy: Towards Intra-Fraction Plan Adaptation for the MR-Linac

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

Kontaxis, C; Bol, G; Lagendijk, J

2014-06-01

Purpose: To develop a new sequencer for IMRT planning that during treatment makes the inclusion of external factors possible and by doing so accounts for intra-fraction anatomy changes. Given a real-time imaging modality that will provide the updated patient anatomy during delivery, this sequencer is able to take these changes into account during the calculation of subsequent segments. Methods: Pencil beams are generated for each beam angle of the treatment and a fluence optimization is performed. The pencil beams, together with the patient anatomy and the above optimal fluence form the input of our algorithm. During each iteration the followingmore » steps are performed: A fluence optimization is done and each beam's fluence is then split to discrete intensity levels. Deliverable segments are calculated for each one of these. Each segment's area multiplied by its intensity describes its efficiency. The most efficient segment among all beams is then chosen to deliver a part of the calculated fluence and the dose that will be delivered by this segment is calculated. This delivered dose is then subtracted from the remaining dose. This loop is repeated until 90% of the dose has been delivered and a final segment weight optimization is performed to reach full convergence. Results: This algorithm was tested in several prostate cases yielding results that meet all clinical constraints. Quality assurance was performed on Delta4 and film phantoms for one of these prostate cases and received clinical acceptance after passing both gamma analyses with the 3%/3mm criteria. Conclusion: A new sequencing algorithm was developed to facilitate the needs of intensity modulated treatment. The first results on static anatomy confirm that it can calculate clinical plans equivalent to those of the commercially available planning systems. We are now working towards 100% dose convergence which will allow us to handle anatomy deformations. This work is financially supported by Elekta AB, Stockholm, Sweden.« less

A systematic Monte Carlo study of secondary electron fluence perturbation in clinical proton beams (70-250 MeV) for cylindrical and spherical ion chambers.

PubMed

Verhaegen, F; Palmans, H

2001-10-01

Current dosimetry protocols for clinical protons do not take into account any secondary electron fluence perturbation in ion chambers. In this work, we performed a systematic study of secondary electron fluence perturbation factors for spherical and cylindrical ion chambers in proton beams (70-250 MeV). The electron fluence perturbation factor, pe, was calculated using Monte Carlo transport of protons and secondary electrons. The influence of proton energy, cavity wall material (graphite, water, A150, PMMA, polystyrene), cavity radius, cavity wall thickness and positioning depth in water is studied. The influence of inelastic nuclear proton interactions is briefly discussed. It was found that pe depends on wall material; the largest values for pe were obtained for ion chambers with A150 walls (pe=1.009), the smallest values for graphite walls. The perturbation factor was found to be largely independent of proton energy. A slight decrease of pe with cavity radius was obtained, especially for low energy protons. The wall thickness was found to have no effect on pe in the range studied (0.025-0.1 cm). The depth of the cavity in a water phantom was also found to have an insignificant effect on pe. Based on the results in the paper for spherical and cylindrical ion chambers, a method to calculate pe for a thimble ion chamber is presented. The results presented in this paper for cylindrical and spherical ion chambers are in contradiction to the calculated electron fluence perturbation factors for planar ion chambers in the paper by Casnati et al.

Bias of averages in life-cycle footprinting of infrastructure: truck and bus case studies.

PubMed

Taptich, Michael N; Horvath, Arpad

2014-11-18

The life-cycle output (e.g., level of service) of infrastructure systems heavily influences their normalized environmental footprint. Many studies and tools calculate emission factors based on average productivity; however, the performance of these systems varies over time and space. We evaluate the appropriate use of emission factors based on average levels of service by comparing them to those reflecting a distribution of system outputs. For the provision of truck and bus services where fuel economy is assumed constant over levels of service, emission factor estimation biases, described by Jensen's inequality, always result in larger-than-expected environmental impacts (3%-400%) and depend strongly on the variability and skew of truck payloads and bus ridership. Well-to-wheel greenhouse gas emission factors for diesel trucks in California range from 87 to 1,500 g of CO2 equivalents per ton-km, depending on the size and type of trucks and the services performed. Along a bus route in San Francisco, well-to-wheel emission factors ranged between 53 and 940 g of CO2 equivalents per passenger-km. The use of biased emission factors can have profound effects on various policy decisions. If average emission rates must be used, reflecting a distribution of productivity can reduce emission factor biases.

Combination of c-reactive protein and squamous cell carcinoma antigen in predicting postoperative prognosis for patients with squamous cell carcinoma of the esophagus.

PubMed

Feng, Ji-Feng; Chen, Sheng; Yang, Xun

2017-09-08

We initially proposed a useful and novel prognostic model, named CCS [Combination of c-reactive protein (CRP) and squamous cell carcinoma antigen (SCC)], for predicting the postoperative survival in patients with esophageal squamous cell carcinoma (ESCC). Two hundred and fifty-two patients with resectable ESCC were included in this retrospective study. A logistic regression was performed and yielded a logistic equation. The CCS was calculated by the combined CRP and SCC. The optimal cut-off value for CCS was evaluated by X-tile program. Univariate and multivariate analyses were used to evaluate the predictive factors. In addition, a novel nomogram model was also performed to predict the prognosis for patients with ESCC. In the current study, CCS was calculated as CRP+6.33 SCC according to the logistic equation. The optimal cut-off value was 15.8 for CCS according to the X-tile program. Kaplan-Meier analyses demonstrated that high CCS group had a significantly poor 5-year cancer-specific survival (CSS) than low CCS group (10.3% vs. 47.3%, P <0.001). According to multivariate analyses, CCS ( P =0.004), but not CRP ( P =0.466) or SCC ( P =0.926), was an independent prognostic factor. A nomogram could be more accuracy for CSS (Harrell's c-index: 0.70). The CCS is a usefull and independent predictive factor in patients with ESCC.

Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure.

PubMed

Lima, Thamires A; Paschoal, Vitor H; Faria, Luiz F O; Ribeiro, Mauro C C; Giles, Carlos

2016-06-14

X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114](+) and [N1444](+) proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444](+) as to [N1114](+) because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114](+) cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids.

Comparing two tetraalkylammonium ionic liquids. I. Liquid phase structure

NASA Astrophysics Data System (ADS)

Lima, Thamires A.; Paschoal, Vitor H.; Faria, Luiz F. O.; Ribeiro, Mauro C. C.; Giles, Carlos

2016-06-01

X-ray scattering experiments at room temperature were performed for the ionic liquids n-butyl-trimethylammonium bis(trifluoromethanesulfonyl)imide, [N1114][NTf2], and methyl-tributylammonium bis(trifluoromethanesulfonyl)imide, [N1444][NTf2]. The peak in the diffraction data characteristic of charge ordering in [N1444][NTf2] is shifted to longer distances in comparison to [N1114][NTf2], but the peak characteristic of short-range correlations is shifted in [N1444][NTf2] to shorter distances. Molecular dynamics (MD) simulations were performed for these ionic liquids using force fields available from the literature, although with new sets of partial charges for [N1114]+ and [N1444]+ proposed in this work. The shifting of charge and adjacency peaks to opposite directions in these ionic liquids was found in the static structure factor, S(k), calculated by MD simulations. Despite differences in cation sizes, the MD simulations unravel that anions are allowed as close to [N1444]+ as to [N1114]+ because anions are located in between the angle formed by the butyl chains. The more asymmetric molecular structure of the [N1114]+ cation implies differences in partial structure factors calculated for atoms belonging to polar or non-polar parts of [N1114][NTf2], whereas polar and non-polar structure factors are essentially the same in [N1444][NTf2]. Results of this work shed light on controversies in the literature on the liquid structure of tetraalkylammonium based ionic liquids.

Calculations of total electron-impact ionization cross sections for Fluoroketone C5F10O and Fluoronitrile C4F7N using modified Deutsch-Märk formula

NASA Astrophysics Data System (ADS)

Xiong, Jiayu; Li, Xingwen; Wu, Jian; Guo, Xiaoxue; Zhao, Hu

2017-11-01

Both fluoroketone C5F10O and fluoronitrile C4F7N are promising substitute gases for SF6. The electron-impact ionization cross sections for these two gases are calculated using the Deutsch-Märk (DM) formula and its modified method. The necessary molecular geometry optimization and electron population were determined by ab initio calculation, which was performed with quantum chemistry code. The level of calculation, including the theoretical method and basis-set, are carefully determined. To eliminate the drawbacks of the DM formula, a modified DM formula is set in this paper. The modified DM formula, of which the weighting factors are changed, has a better agreement with the experimental data on both the peak and shape of the cross-section curves. The results calculated by DM formula and modified DM formula are given as references to fill in gaps in further research into C5F10O and C4F7N.

Calculated rate constants for the reaction ClO + O yields Cl + O2 between 220 and 1000 deg K. [molecular trajectories and stratospheric ozone

NASA Technical Reports Server (NTRS)

Jaffee, R. L.

1978-01-01

Classical trajectory calculations are presented for the reaction ClO + O yields Cl + O2, a reaction which is an important step in the chlorine-catalyzed destruction of ozone which is thought to occur in the 220 and 1000 K. The calculated rate constant is 4.36 x 10 to the minus 11th power exp (-191/T)cu cm molecule (-1)s(-1) and its value at 300 K is 2.3 plus or minus 10 to the 11th power cu cm molecule (-1)s(-1), about a factor of 2 lower than recent experimental data. The empirical potential energy surface used in the calculations was constructed to fit experimental data for ClO, O2 and ClOO molecules. Other important features of this potential surface, such as the barrier to reaction, were varied systematically and calculations were performed for a range of conditions to determine the best theoretical rate constants. Results demonstrate the utility of classical trajectory methods for determining activation energies and other kinetic data for important atmospheric reactions.

Theoretical research on the spin-Hamiltonian parameters of the rhombic W5+ centers in CaWO4:Y3+ crystal

NASA Astrophysics Data System (ADS)

Mei, Yang; Wei, Cheng-Fu; Zheng, Wen-Chen

2016-02-01

Detailed theoretical calculations for the spin-Hamiltonian parameters (g factors gi and hyperfine structure constants Ai, where i=x, y, z) of the rhombic W5+ center in CaWO4:Y3+ crystal are performed by using the high-order perturbation formulas for d1 ions in rhombic tetrahedral clusters with the ground state |dz2>. These formulas consist of the contributions from two mechanisms, the crystal-field (CF) mechanism connected with CF excited states in the vastly-used CF theory and the frequently-neglected charge-transfer (CT) mechanism related to CT excited states. The calculated results agree well with the experimental values. The calculations indicate that for W5+ ion (or other high valence state dn ions) in crystals, the model calculations of spin-Hamiltonian parameters should take both the CF and CT mechanisms into account. The signs of hyperfine structure constants Ai are suggested and the forming (or defect model) of rhombic W5+ center in CaWO4:Y3+ crystal is confirmed from the calculations.

Monte Carlo based, patient-specific RapidArc QA using Linac log files.

PubMed

Teke, Tony; Bergman, Alanah M; Kwa, William; Gill, Bradford; Duzenli, Cheryl; Popescu, I Antoniu

2010-01-01

A Monte Carlo (MC) based QA process to validate the dynamic beam delivery accuracy for Varian RapidArc (Varian Medical Systems, Palo Alto, CA) using Linac delivery log files (DynaLog) is presented. Using DynaLog file analysis and MC simulations, the goal of this article is to (a) confirm that adequate sampling is used in the RapidArc optimization algorithm (177 static gantry angles) and (b) to assess the physical machine performance [gantry angle and monitor unit (MU) delivery accuracy]. Ten clinically acceptable RapidArc treatment plans were generated for various tumor sites and delivered to a water-equivalent cylindrical phantom on the treatment unit. Three Monte Carlo simulations were performed to calculate dose to the CT phantom image set: (a) One using a series of static gantry angles defined by 177 control points with treatment planning system (TPS) MLC control files (planning files), (b) one using continuous gantry rotation with TPS generated MLC control files, and (c) one using continuous gantry rotation with actual Linac delivery log files. Monte Carlo simulated dose distributions are compared to both ionization chamber point measurements and with RapidArc TPS calculated doses. The 3D dose distributions were compared using a 3D gamma-factor analysis, employing a 3%/3 mm distance-to-agreement criterion. The dose difference between MC simulations, TPS, and ionization chamber point measurements was less than 2.1%. For all plans, the MC calculated 3D dose distributions agreed well with the TPS calculated doses (gamma-factor values were less than 1 for more than 95% of the points considered). Machine performance QA was supplemented with an extensive DynaLog file analysis. A DynaLog file analysis showed that leaf position errors were less than 1 mm for 94% of the time and there were no leaf errors greater than 2.5 mm. The mean standard deviation in MU and gantry angle were 0.052 MU and 0.355 degrees, respectively, for the ten cases analyzed. The accuracy and flexibility of the Monte Carlo based RapidArc QA system were demonstrated. Good machine performance and accurate dose distribution delivery of RapidArc plans were observed. The sampling used in the TPS optimization algorithm was found to be adequate.

Improving Thermal Performance of a Residential Building, Related to Its Orientations - A Case Study

NASA Astrophysics Data System (ADS)

Akshaya, S.; Harish, S.; Arthy, R.; Muthu, D.; Venkatasubramanian, C.

2017-07-01

Urban planners and stakeholders require knowledge about the effectiveness of city-scale climate adaptation measures in order to develop climate resilient cities and to push forward the political process for the implementation of climate adaptation strategies. This study examines the impact of modifications in orientation of buildings with respect to heat load. Heat load calculation is a mathematical process to determine the best capacity, application and style of HVAC system. The purpose is to ensure energy efficiency while also maximizing comfort inside the building. This study of load calculation is essential for a building because it helps to pick the best orientation and focuses to find an orientation that will reduce energy due to direct solar radiation. One of the factors affecting this assessment is the latitude of the location. The heat gain is effective through walls and fenestration. Improper management through ineffective orientation of the building’s natural heat gain leads to excessive consumption of energy in the form of CL. The total heat gain for the above factors is calculated with the equations and assumptions as per ASHRAE code. After the calculation of heat load for different orientations, the best suited orientation of the building is found. By altering the building to suitable orientation, the dependence on electrical equipment can be minimized and thereby helps in energy conservation.

Electromagnetic scattering calculations on the Intel Touchstone Delta

NASA Technical Reports Server (NTRS)

Cwik, Tom; Patterson, Jean; Scott, David

1992-01-01

During the first year's operation of the Intel Touchstone Delta system, software which solves the electric field integral equations for fields scattered from arbitrarily shaped objects has been transferred to the Delta. To fully realize the Delta's resources, an out-of-core dense matrix solution algorithm that utilizes some or all of the 90 Gbyte of concurrent file system (CFS) has been used. The largest calculation completed to date computes the fields scattered from a perfectly conducting sphere modeled by 48,672 unknown functions, resulting in a complex valued dense matrix needing 37.9 Gbyte of storage. The out-of-core LU matrix factorization algorithm was executed in 8.25 h at a rate of 10.35 Gflops. Total time to complete the calculation was 19.7 h-the additional time was used to compute the 48,672 x 48,672 matrix entries, solve the system for a given excitation, and compute observable quantities. The calculation was performed in 64-b precision.

Total body irradiation, toward optimal individual delivery: dose evaluation with metal oxide field effect transistors, thermoluminescence detectors, and a treatment planning system.

PubMed

Bloemen-van Gurp, Esther J; Mijnheer, Ben J; Verschueren, Tom A M; Lambin, Philippe

2007-11-15

To predict the three-dimensional dose distribution of our total body irradiation technique, using a commercial treatment planning system (TPS). In vivo dosimetry, using metal oxide field effect transistors (MOSFETs) and thermoluminescence detectors (TLDs), was used to verify the calculated dose distributions. A total body computed tomography scan was performed and loaded into our TPS, and a three-dimensional-dose distribution was generated. In vivo dosimetry was performed at five locations on the patient. Entrance and exit dose values were converted to midline doses using conversion factors, previously determined with phantom measurements. The TPS-predicted dose values were compared with the MOSFET and TLD in vivo dose values. The MOSFET and TLD dose values agreed within 3.0% and the MOSFET and TPS data within 0.5%. The convolution algorithm of the TPS, which is routinely applied in the clinic, overestimated the dose in the lung region. Using a superposition algorithm reduced the calculated lung dose by approximately 3%. The dose inhomogeneity, as predicted by the TPS, can be reduced using a simple intensity-modulated radiotherapy technique. The use of a TPS to calculate the dose distributions in individual patients during total body irradiation is strongly recommended. Using a TPS gives good insight of the over- and underdosage in a patient and the influence of patient positioning on dose homogeneity. MOSFETs are suitable for in vivo dosimetry purposes during total body irradiation, when using appropriate conversion factors. The MOSFET, TLD, and TPS results agreed within acceptable margins.

SU-E-T-37: A GPU-Based Pencil Beam Algorithm for Dose Calculations in Proton Radiation Therapy

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

Kalantzis, G; Leventouri, T; Tachibana, H

Purpose: Recent developments in radiation therapy have been focused on applications of charged particles, especially protons. Over the years several dose calculation methods have been proposed in proton therapy. A common characteristic of all these methods is their extensive computational burden. In the current study we present for the first time, to our best knowledge, a GPU-based PBA for proton dose calculations in Matlab. Methods: In the current study we employed an analytical expression for the protons depth dose distribution. The central-axis term is taken from the broad-beam central-axis depth dose in water modified by an inverse square correction whilemore » the distribution of the off-axis term was considered Gaussian. The serial code was implemented in MATLAB and was launched on a desktop with a quad core Intel Xeon X5550 at 2.67GHz with 8 GB of RAM. For the parallelization on the GPU, the parallel computing toolbox was employed and the code was launched on a GTX 770 with Kepler architecture. The performance comparison was established on the speedup factors. Results: The performance of the GPU code was evaluated for three different energies: low (50 MeV), medium (100 MeV) and high (150 MeV). Four square fields were selected for each energy, and the dose calculations were performed with both the serial and parallel codes for a homogeneous water phantom with size 300×300×300 mm3. The resolution of the PBs was set to 1.0 mm. The maximum speedup of ∼127 was achieved for the highest energy and the largest field size. Conclusion: A GPU-based PB algorithm for proton dose calculations in Matlab was presented. A maximum speedup of ∼127 was achieved. Future directions of the current work include extension of our method for dose calculation in heterogeneous phantoms.« less

Revision workshops in elementary mathematics enhance student performance in routine laboratory calculations.

PubMed

Sawbridge, Jenny L; Qureshi, Haseeb K; Boyd, Matthew J; Brown, Angus M

2014-09-01

The ability to understand and implement calculations required for molarity and dilution computations that are routinely undertaken in the laboratory are essential skills that should be possessed by all students entering an undergraduate Life Sciences degree. However, it is increasingly recognized that the majority of these students are ill equipped to reliably carry out such calculations. There are several factors that conspire against students' understanding of this topic, with the alien concept of the mole in relation to the mass of compounds and the engineering notation required when expressing the relatively small quantities typically involved being two key examples. In this report, we highlight teaching methods delivered via revision workshops to undergraduate Life Sciences students at the University of Nottingham. Workshops were designed to 1) expose student deficiencies in basic numeracy skills and remedy these deficiencies, 2) introduce molarity and dilution calculations and illustrate their workings in a step-by-step manner, and 3) allow students to appreciate the magnitude of numbers. Preworkshop to postworkshop comparisons demonstrated a considerable improvement in students' performance, which attenuated with time. The findings of our study suggest that an ability to carry out laboratory calculations cannot be assumed in students entering Life Sciences degrees in the United Kingdom but that explicit instruction in the form of workshops improves proficiency to a level of competence that allows students to prosper in the laboratory environment. Copyright © 2014 The American Physiological Society.

Estimating the risks of cancer mortality and genetic defects resulting from exposures to low levels of ionizing radiation

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

Buhl, T.E.; Hansen, W.R.

1984-05-01

Estimators for calculating the risk of cancer and genetic disorders induced by exposure to ionizing radiation have been recommended by the US National Academy of Sciences Committee on the Biological Effects of Ionizing Radiations, the UN Scientific Committee on the Effects of Atomic Radiation, and the International Committee on Radiological Protection. These groups have also considered the risks of somatic effects other than cancer. The US National Council on Radiation Protection and Measurements has discussed risk estimate procedures for radiation-induced health effects. The recommendations of these national and international advisory committees are summarized and compared in this report. Based onmore » this review, two procedures for risk estimation are presented for use in radiological assessments performed by the US Department of Energy under the National Environmental Policy Act of 1969 (NEPA). In the first procedure, age- and sex-averaged risk estimators calculated with US average demographic statistics would be used with estimates of radiation dose to calculate the projected risk of cancer and genetic disorders that would result from the operation being reviewed under NEPA. If more site-specific risk estimators are needed, and the demographic information is available, a second procedure is described that would involve direct calculation of the risk estimators using recommended risk-rate factors. The computer program REPCAL has been written to perform this calculation and is described in this report. 25 references, 16 tables.« less

Design of planar microcoil-based NMR probe ensuring high SNR

NASA Astrophysics Data System (ADS)

Ali, Zishan; Poenar, D. P.; Aditya, Sheel

2017-09-01

A microNMR probe for ex vivo applications may consist of at least one microcoil, which can be used as the oscillating magnetic field (MF) generator as well as receiver coil, and a sample holder, with a volume in the range of nanoliters to micro-liters, placed near the microcoil. The Signal-to-Noise ratio (SNR) of such a probe is, however, dependent not only on its design but also on the measurement setup, and the measured sample. This paper introduces a performance factor P independent of both the proton spin density in the sample and the external DC magnetic field, and which can thus assess the performance of the probe alone. First, two of the components of the P factor (inhomogeneity factor K and filling factor η ) are defined and an approach to calculate their values for different probe variants from electromagnetic simulations is devised. A criterion based on dominant component of the magnetic field is then formulated to help designers optimize the sample volume which also affects the performance of the probe, in order to obtain the best SNR for a given planar microcoil. Finally, the P factor values are compared between different planar microcoils with different number of turns and conductor aspect ratios, and planar microcoils are also compared with conventional solenoids. These comparisons highlight which microcoil geometry-sample volume combination will ensure a high SNR under any external setup.

A Thermoelastic Damping Model for the Cone Microcantilever Resonator with Circular Cross-section

NASA Astrophysics Data System (ADS)

Li, Pu; Zhou, Hongyue

2017-07-01

Microbeams with variable cross-section have been applied in Microelectromechanical Systems (MEMS) resonators. Quality factor (Q-factor) is an important factor evaluating the performance of MEMS resonators, and high Q-factor stands for the excellent performance. Thermoelastic damping (TED), which has been verified as a fundamental energy lost mechanism for microresonators, determines the upper limit of Q-factor. TED can be calculated by the Zener’s model and Lifshits and Roukes (LR) model. However, for microbeam resonators with variable cross-sections, these two models become invalid in some cases. In this work, we derived the TED model for cone microcantilever with circular cross-section that is a representative non-uniform microbeam. The comparison of results obtained by the present model and Finite Element Method (FEM) model proves that the present model is valid for predicting TED value for cone microcantilever with circular cross-section. The results suggest that the first-order natural frequencies and TED values of cone microcantilever are larger than those of uniform microbeam for large aspect ratios (l/r 0). In addition, the Debye peak value of a uniform microcantilever is equal to 0.5ΔE, while that of cone microcantilever is about 0.438ΔE.

Intraocular lens calculation adjustment after laser refractive surgery using Scheimpflug imaging.

PubMed

Schuster, Alexander K; Schanzlin, David J; Thomas, Karin E; Heichel, Christopher W; Purcell, Tracy L; Barker, Patrick D

2016-02-01

To test a new method of intraocular lens (IOL) calculation after corneal refractive surgery using Scheimpflug imaging (Pentacam HR) and partial coherence interferometry (PCI) (IOLMaster) that does not require historical data; that is, the Schuster/Schanzlin-Thomas-Purcell (SToP) IOL calculator. Shiley Eye Center, San Diego, California, and Walter Reed National Military Medical Center, Bethesda, Maryland, USA. Retrospective data analysis and validation study. Data were retrospectively collected from patient charts including data from Scheimpflug imaging and refractive history. Target refraction was calculated using PCI and the Holladay 1 and SRK/T formulas. Regression analysis was performed to explain the deviation of the target refraction, taking into account the following influencing factors: ratio of posterior-to-anterior corneal radius, axial length (AL), and anterior corneal radius. The regression analysis study included 61 eyes (39 patients) that had laser in situ keratomileusis (57 eyes) or photorefractive keratectomy (4 eyes) and subsequent cataract. Two factors were found that explained the deviation of the target refraction using the Holladay 1 formula; that is, the ratio of the corneal radii and the AL and the ratio of corneal radii for the SRK/T formula. A new IOL adjustment calculator was derived and validated at a second center using 14 eyes (10 patients). The error in IOL calculation for normal eyes after laser refractive treatment was related to the ratio of posterior-to-anterior corneal radius. A formula requiring Scheimpflug data and suggested IOL power only yielded an improved postoperative result for patients with previous corneal laser refractive surgery having cataract surgery. No author has a financial or proprietary interest in any material or method mentioned. Copyright © 2016 ASCRS and ESCRS. All rights reserved.

Fate and Characterization Factors of Nanoparticles in Seventeen Subcontinental Freshwaters: A Case Study on Copper Nanoparticles.

PubMed

Pu, Yubing; Tang, Feng; Adam, Pierre-Michel; Laratte, Bertrand; Ionescu, Rodica Elena

2016-09-06

The lack of characterization factors (CFs) for engineered nanoparticles (ENPs) hampers the application of life cycle assessment (LCA) methodology in evaluating the potential environmental impacts of nanomaterials. Here, the framework of the USEtox model has been selected to solve this problem. On the basis of colloid science, a fate model for ENPs has been developed to calculate the freshwater fate factor (FF) of ENPs. We also give the recommendations for using the hydrological data from the USEtox model. The functionality of our fate model is proved by comparing our computed results with the reported scenarios in North America, Switzerland, and Europe. As a case study, a literature survey of the nano-Cu toxicology values has been performed to calculate the effect factor (EF). Seventeen freshwater CFs of nano-Cu are proposed as recommended values for subcontinental regions. Depending on the regions and the properties of the ENPs, the region most likely to be affected by nano-Cu is Africa (CF of 11.11 × 10(3) CTUe, comparative toxic units) and the least likely is north Australia (CF of 3.87 × 10(3) CTUe). Furthermore, from the sensitivity analysis of the fate model, 13 input parameters (such as depth of freshwater, radius of ENPs) show vastly different degrees of influence on the outcomes. The characterization of suspended particles in freshwater and the dissolution rate of ENPs are two significant factors.

Development and validation of 26-item dysfunctional attitude scale.

PubMed

Ebrahimi, Amrollah; Samouei, Rahele; Mousavii, Sayyed Ghafour; Bornamanesh, Ali Reza

2013-06-01

Dysfunctional Attitude Scale is one of the most common instruments used to assess cognitive vulnerability. This study aimed to develop and validate a short form of Dysfunctional Attitude Scale appropriate for an Iranian clinical population. Participants were 160 psychiatric patients from medical centers affiliated with Isfahan Medical University, as well as 160 non-patients. Research instruments were clinical interviews based on the Diagnostic and Statistical Manual-IV-TR, Dysfunctional Attitude Scale and General Heath Questionnaire (GHQ-28). Data was analyzed using multicorrelation calculations and factor analysis. Based on the results of factor analysis and item-total correlation, 14 items were judged candidates for omission. Analysis of the 26-item Dysfunctional Attitude Scale (DAS-26) revealed a Cronbach's alpha of 0.92. Evidence for the concurrent criterion validity was obtained through calculating the correlation between the Dysfunctional Attitude Scale and psychiatric diagnosis (r = 0.55), GHQ -28 (r = 0.56) and somatization, anxiety, social dysfunction, and depression subscales (0.45,0.53,0.48, and 0.57, respectively). Factor analysis deemed a four-factor structure the best. The factors were labeled as success-perfectionism, need for approval, need for satisfying others, and vulnerability-performance evaluation. The results showed that the Iranian version of the Dysfunctional Attitude Scale (DAS-26) bears satisfactory psychometric properties suggesting that this cognitive instrument is appropriate for use in an Iranian cultural context. Copyright © 2012 Wiley Publishing Asia Pty Ltd.

Diverse trends of electron correlation effects for properties with different radial and angular factors in an atomic system: a case study in Ca+

NASA Astrophysics Data System (ADS)

Kumar, Pradeep; Li, Cheng-Bin; Sahoo, B. K.

2018-03-01

Dependencies of electron correlation effects with the rank and radial behavior of spectroscopic properties are analyzed in the singly charged calcium ion (Ca+). To demonstrate these trends, we have determined field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Landé g J factors, and electric quadrupole moments that are described by electronic operators with different radial and angular factors. Radial dependencies are investigated by comparing correlation trends among the properties that have similar angular factors and vice versa. To highlight these observations, we present results from the mean-field approach to all-orders along with intermediate contributions. Contributions from higher relativistic corrections are also given. These findings suggest that sometime lower-order approximations can give results agreeing with the experimental results, but inclusion of some of higher-order correlation effects can cause large disagreement with the experimental values. Therefore, validity of a method for accurate evaluation of atomic properties can be tested by performing calculations of several properties simultaneously that have diverse dependencies on the angular and radial factors and comparing with the available experimental results. Nevertheless, it is imperative to include full triple and quadrupole excitations in the all-order many-body methods for high-precision calculations that are yet to be developed adopting spherical coordinate system for atomic studies.

Automated processing of first-pass radionuclide angiocardiography by factor analysis of dynamic structures.

PubMed

Cavailloles, F; Bazin, J P; Capderou, A; Valette, H; Herbert, J L; Di Paola, R

1987-05-01

A method for automatic processing of cardiac first-pass radionuclide study is presented. This technique, factor analysis of dynamic structures (FADS) provides an automatic separation of anatomical structures according to their different temporal behaviour, even if they are superimposed. FADS has been applied to 76 studies. A description of factor patterns obtained in various pathological categories is presented. FADS provides easy diagnosis of shunts and tricuspid insufficiency. Quantitative information derived from the factors (cardiac output and mean transit time) were compared to those obtained by the region of interest method. Using FADS, a higher correlation with cardiac catheterization was found for cardiac output calculation. Thus compared to the ROI method, FADS presents obvious advantages: a good separation of overlapping cardiac chambers is obtained; this operator independant method provides more objective and reproducible results. A number of parameters of the cardio-pulmonary function can be assessed by first-pass radionuclide angiocardiography (RNA) [1,2]. Usually, they are calculated using time-activity curves (TAC) from regions of interest (ROI) drawn on the cardiac chambers and the lungs. This method has two main drawbacks: (1) the lack of inter and intra-observers reproducibility; (2) the problem of crosstalk which affects the evaluation of the cardio-pulmonary performance. The crosstalk on planar imaging is due to anatomical superimposition of the cardiac chambers and lungs. The activity measured in any ROI is the sum of the activity in several organs and 'decontamination' of the TAC cannot easily be performed using the ROI method [3]. Factor analysis of dynamic structures (FADS) [4,5] can solve the two problems mentioned above. It provides an automatic separation of anatomical structures according to their different temporal behaviour, even if they are superimposed. The resulting factors are estimates of the time evolution of the activity in each structure (underlying physiological components), and the associated factor images are estimates of the spatial distribution of each factor. The aim of this study was to assess the reliability of FADS in first pass RNA and compare the results to those obtained by the ROI method which is generally considered as the routine procedure.

Effect of halogenation on the nonlinear optical properties of porthyrin and substituted porphyrins

NASA Technical Reports Server (NTRS)

Cardelino, Beatriz H.; Moore, Craig E.; Benloss, Angela; Thompson, Albert N., Jr.; Richards, Rosalie A.; Roney, Celeste A.; Sanghadasa, Mohan

1998-01-01

The effect that fluorine and chlorine substitution has on the nonlinear optical properties of porphyrin, tetramethylporphyrin and tetraphenylporphyrin has been theoretically studied. The calculations of nonlinear optical properties have been obtained by performing finite-field calculations on structures determined by semiempirical methods. In addition, tetra(p-chlorophenyl)porphyrin and tetra(p-bromophenyl)porphyrin were synthesized by the condensation of pyrrol and the appropriate aldehyde. Thin films of polymethylmethacrylate were obtained containing these materials, by spin coating onto glass substrates. The films were characterized by third-harmonic generation. It was determined that the experimental conditions enhance the third-order polarizability of the tetraphenylporphyrins by a factor of about 1.6.

Adherence to ACC/AHA performance measures for myocardial infarction in six Middle-Eastern countries: association with in-hospital mortality and clinical characteristics.

PubMed

Longenecker, Joseph C; Alfaddagh, Abdulhamied; Zubaid, Mohammad; Rashed, Wafa; Ridha, Mustafa; Alenezi, Fahad; Alhamdan, Rashed; Akbar, Mousa; Bulbanat, Bassam Y; Al-Suwaidi, Jassim

2013-08-20

This study assesses adherence to performance measures for acute myocardial infarction (AMI) in six Middle-Eastern countries, and its association with in-hospital mortality. Few studies have previously assessed these performance measures in the Middle East. This cohort study followed 5813 patients with suspected AMI upon admission to discharge. Proportions of eligible participants receiving the following performance measures were calculated: medications within 24 hours of admission (aspirin and beta-blocker) and on discharge (aspirin, beta-blockers, angiotensin converting enzyme inhibitors [ACEI], and lipid-lowering therapy), reperfusion therapy, and low-density lipoprotein (LDL) cholesterol measurement. A composite adherence score was calculated. Associations between performance measures and clinical characteristics were assessed using multivariate logistic regression. Adherence was above 90% for aspirin, reperfusion, and lipid-lowering therapies; between 60% and 82% for beta-blockers, ACEI, statin therapy, time-to-balloon within 90 minutes, and LDL-cholesterol measurement; and 33% for time-to-needle within 30 minutes. After adjustment, factors associated with high composite performance score (>85%) included Asian ethnicity (Odds Ratio, OR=1.3; p=0.01) and history of hyperlipidemia (OR=1.4; p=0.001). Factors associated with a lower score included atypical symptoms (OR=0.6; p=0.003) and high GRACE score (OR=0.6; p<0.001). Lower in-hospital mortality was associated with provision of reperfusion therapy (OR=0.54, p=0.047) and beta-blockers within 24 hours (OR=0.33, p=0.005). Overall adherence was lowest among the highest-risk patients. Lower in-hospital mortality was independently associated with adherence to early performance measures, comprising observational evidence for their effectiveness in a Middle East cohort. These data provide a focus for regional quality improvement initiatives and research. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Calculation Method of Lateral Strengths and Ductility Factors of Constructions with Shear Walls of Different Ductility

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

Yamaguchi, Nobuyoshi; Nakao, Masato; Murakami, Masahide

2008-07-08

For seismic design, ductility-related force modification factors are named R factor in Uniform Building Code of U.S, q factor in Euro Code 8 and Ds (inverse of R) factor in Japanese Building Code. These ductility-related force modification factors for each type of shear elements are appeared in those codes. Some constructions use various types of shear walls that have different ductility, especially for their retrofit or re-strengthening. In these cases, engineers puzzle the decision of force modification factors of the constructions. Solving this problem, new method to calculate lateral strengths of stories for simple shear wall systems is proposed andmore » named 'Stiffness--Potential Energy Addition Method' in this paper. This method uses two design lateral strengths for each type of shear walls in damage limit state and safety limit state. Two lateral strengths of stories in both limit states are calculated from these two design lateral strengths for each type of shear walls in both limit states. Calculated strengths have the same quality as values obtained by strength addition method using many steps of load-deformation data of shear walls. The new method to calculate ductility factors is also proposed in this paper. This method is based on the new method to calculate lateral strengths of stories. This method can solve the problem to obtain ductility factors of stories with shear walls of different ductility.« less

Optical properties of human colon tissues in the 350 – 2500 nm spectral range

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

Bashkatov, A N; Genina, E A; Kochubey, V I

2014-08-31

We present the optical characteristics of the mucosa and submucosa of human colon tissue. The experiments are performed in vitro using a LAMBDA 950 spectrophotometer in the 350 – 2500 nm spectral range. The absorption and scattering coefficients and the scattering anisotropy factor are calculated based on the measured diffuse reflectance and total and collimated transmittance spectra using the inverse Monte Carlo method. (laser biophotonics)

The Otto-engine-equivalent vehicle concept

NASA Technical Reports Server (NTRS)

Dowdy, M. W.; Couch, M. D.

1978-01-01

A vehicle comparison methodology based on the Otto-Engine Equivalent (OEE) vehicle concept is described. As an illustration of this methodology, the concept is used to make projections of the fuel economy potential of passenger cars using various alternative power systems. Sensitivities of OEE vehicle results to assumptions made in the calculational procedure are discussed. Factors considered include engine torque boundary, rear axle ratio, performance criteria, engine transient response, and transmission shift logic.

Risk factors associated with higher body fat in US Army female soldiers.

PubMed

Anderson, Morgan K; Grier, Tyson; Canham-Chervak, Michelle; Bushman, Timothy T; Jones, Bruce H

2014-01-01

Increased body fat among US Soldiers is a continuing challenge that contributes to increased health risks and decreased combat readiness. Factors contributing to higher body fat among US Army female Soldiers have been minimally investigated. To investigate the risk factors associated with exceeding US Army body fat standards among active duty women in a light infantry brigade. Investigated risk factors include personal characteristics, physical training, physical fitness, and injury history. Data were obtained by survey from women in 3 US Army infantry brigades. Body fat percentage was calculated, and the women were categorized as either meeting or exceeding the maximum Army body fat standard of 30% for ages 17-20, 32% for ages 21-27, 34% for ages 28-39, and 36% for age 40 years or more. Army Physical Fitness Test (APFT) results were converted into tertiles (T), where T1=lowest 1/3 of performance and T3=highest 1/3 of performance. Odds ratios (OR) and 95% confidence intervals (CI) were calculated from a multivariate analysis assessing risk associated with exceeding the Army body fat standards. Among the women surveyed (n=629), 22% exceeded Army body fat standards. Higher risk of being above the Army standard was associated with older age (≥29 years / ≤23 years) (OR=47, 95% CI, 1.24-4.92), and poor aerobic fitness (APFT 2-mile run) (T1/T3) OR=6.11, 95% CI, 2.62-14.24), (T1/T2) OR=2.66, 95% CI, 1.12-6.33). A marginal association was found for poor muscular strength (APFT sit-ups) (T1/T3). The results suggest that women who are older, and/or have poor aerobic fitness are more likely to exceed the maximum Army body fat standards.

Identification of low variability textural features for heterogeneity quantification of 18F-FDG PET/CT imaging.

PubMed

Cortes-Rodicio, J; Sanchez-Merino, G; Garcia-Fidalgo, M A; Tobalina-Larrea, I

To identify those textural features that are insensitive to both technical and biological factors in order to standardise heterogeneity studies on 18 F-FDG PET imaging. Two different studies were performed. First, nineteen series from a cylindrical phantom filled with different 18 F-FDG activity concentration were acquired and reconstructed using three different protocols. Seventy-two texture features were calculated inside a circular region of interest. The variability of each feature was obtained. Second, the data for 15 patients showing non-pathological liver were acquired. Anatomical and physiological features such as patient's weight, height, body mass index, metabolic active volume, blood glucose level, SUV and SUV standard deviation were also recorded. A liver covering region of interest was delineated and low variability textural features calculated in each patient. Finally, a multivariate Spearman's correlation analysis between biological factors and texture features was performed. Only eight texture features analysed show small variability (<5%) with activity concentration and reconstruction protocol making them suitable for heterogeneity quantification. On the other hand, there is a high statistically significant correlation between MAV and entropy (P<0.05). Entropy feature is, indeed, correlated (P<0.05) with all patient parameters, except body mass index. The textural features that are correlated with neither technical nor biological factors are run percentage, short-zone emphasis and intensity, making them suitable for quantifying functional changes or classifying patients. Other textural features are correlated with technical and biological factors and are, therefore, a source of errors if used for this purpose. Copyright © 2016 Elsevier España, S.L.U. y SEMNIM. All rights reserved.

Use of CAS in secondary school: a factor influencing the transition to university-level mathematics?

NASA Astrophysics Data System (ADS)

Varsavsky, Cristina

2012-01-01

Australian secondary school systems offer three levels of senior (year 12) mathematics studies, none of them compulsory: elementary, intermediate and advanced. The intermediate and advanced studies prepare students for further mathematics studies at university level. In the state of Victoria, there are two versions of intermediate mathematics: one where students learn and are examined with a computer algebra system (CAS) and another where students can only use scientific calculators. This study compares the performance of 1240 students as they transitioned to traditional university-level mathematics and according to whether they learned intermediate mathematics with or without the assistance of a CAS. This study concludes that students without CAS show a slight advantage, but the most important factor affecting student performance is the uptake of advanced-level mathematics studies in secondary school.

Annealing effects on room temperature thermoelectric performance of p-type thermally evaporated Bi-Sb-Te thin films

NASA Astrophysics Data System (ADS)

Singh, Sukhdeep; Singh, Janpreet; Tripathi, S. K.

2018-05-01

Bismuth antimony telluride (Bi-Sb-Te) compounds have been investigated for the past many decades for thermoelectric (TE) power generation and cooling purpose. We synthesized this compound with a stoichiometry Bi1.2Sb0.8Te3 through melt cool technique and thin films of as synthesized material were deposited by thermal evaporation. The prime focus of the present work is to study the influence of annealing temperature on the room temperature (RT) power factor of thin films. Electrical conductivity and Seebeck coefficient were studied and power factors were calculated which showed a peak value at 323 K. The compounds performance is comparable to some very efficient Bi-Sb-Te reported stoichiometries at RT scale. The values observed show that material has an enormous potential for energy production at ambient temperature scales.

Evaluating and enhancing quantum capacitance in graphene-based electrodes from first principles

NASA Astrophysics Data System (ADS)

Ogitsu, Tadashi; Otani, Minoru; Lee, Jonathan; Bagge-Hansen, Michael; Biener, Juergen; Wood, Brandon

2013-03-01

Graphene derivatives are attractive as supercapacitor electrodes because they are lightweight, chemically inert, have high surface area and conductivity, and are stable in electrolyte solutions. Nevertheless, devising reliable strategies for improving energy density relies on an understanding of the specific factors that control electrode performance. We use density-functional theory calculations of pristine and defective graphene to extract quantum capacitance, as well as to identify specific limiting factors. The effect of structural point defects and strain-related morphological changes on the density of states is also evaluated. The results are combined with predicted and measured in situ X-ray absorption spectra in order to give insight into the structural and chemical features present in synthesized carbon aerogel samples. Performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344.

Model-centric distribution automation: Capacity, reliability, and efficiency

DOE PAGES

Onen, Ahmet; Jung, Jaesung; Dilek, Murat; ...

2016-02-26

A series of analyses along with field validations that evaluate efficiency, reliability, and capacity improvements of model-centric distribution automation are presented. With model-centric distribution automation, the same model is used from design to real-time control calculations. A 14-feeder system with 7 substations is considered. The analyses involve hourly time-varying loads and annual load growth factors. Phase balancing and capacitor redesign modifications are used to better prepare the system for distribution automation, where the designs are performed considering time-varying loads. Coordinated control of load tap changing transformers, line regulators, and switched capacitor banks is considered. In evaluating distribution automation versus traditionalmore » system design and operation, quasi-steady-state power flow analysis is used. In evaluating distribution automation performance for substation transformer failures, reconfiguration for restoration analysis is performed. In evaluating distribution automation for storm conditions, Monte Carlo simulations coupled with reconfiguration for restoration calculations are used. As a result, the evaluations demonstrate that model-centric distribution automation has positive effects on system efficiency, capacity, and reliability.« less

Model-centric distribution automation: Capacity, reliability, and efficiency

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

Onen, Ahmet; Jung, Jaesung; Dilek, Murat

A series of analyses along with field validations that evaluate efficiency, reliability, and capacity improvements of model-centric distribution automation are presented. With model-centric distribution automation, the same model is used from design to real-time control calculations. A 14-feeder system with 7 substations is considered. The analyses involve hourly time-varying loads and annual load growth factors. Phase balancing and capacitor redesign modifications are used to better prepare the system for distribution automation, where the designs are performed considering time-varying loads. Coordinated control of load tap changing transformers, line regulators, and switched capacitor banks is considered. In evaluating distribution automation versus traditionalmore » system design and operation, quasi-steady-state power flow analysis is used. In evaluating distribution automation performance for substation transformer failures, reconfiguration for restoration analysis is performed. In evaluating distribution automation for storm conditions, Monte Carlo simulations coupled with reconfiguration for restoration calculations are used. As a result, the evaluations demonstrate that model-centric distribution automation has positive effects on system efficiency, capacity, and reliability.« less

A probabilistic model for deriving soil quality criteria based on secondary poisoning of top predators. I. Model description and uncertainty analysis.

PubMed

Traas, T P; Luttik, R; Jongbloed, R H

1996-08-01

In previous studies, the risk of toxicant accumulation in food chains was used to calculate quality criteria for surface water and soil. A simple algorithm was used to calculate maximum permissable concentrations [MPC = no-observed-effect concentration/bioconcentration factor(NOEC/BCF)]. These studies were limited to simple food chains. This study presents a method to calculate MPCs for more complex food webs of predators. The previous method is expanded. First, toxicity data (NOECs) for several compounds were corrected for differences between laboratory animals and animals in the wild. Second, for each compound, it was assumed these NOECs were a sample of a log-logistic distribution of mammalian and avian NOECs. Third, bioaccumulation factors (BAFs) for major food items of predators were collected and were assumed to derive from different log-logistic distributions of BAFs. Fourth, MPCs for each compound were calculated using Monte Carlo sampling from NOEC and BAF distributions. An uncertainty analysis for cadmium was performed to identify the most uncertain parameters of the model. Model analysis indicated that most of the prediction uncertainty of the model can be ascribed to uncertainty of species sensitivity as expressed by NOECs. A very small proportion of model uncertainty is contributed by BAFs from food webs. Correction factors for the conversion of NOECs from laboratory conditions to the field have some influence on the final value of MPC5, but the total prediction uncertainty of the MPC is quite large. It is concluded that the uncertainty in species sensitivity is quite large. To avoid unethical toxicity testing with mammalian or avian predators, it cannot be avoided to use this uncertainty in the method proposed to calculate MPC distributions. The fifth percentile of the MPC is suggested as a safe value for top predators.

Informatic support for processing the data regarding the environment factors possibly involved in the etiopathogenesis of insulin-dependent diabetes mellitus ETIODIAB.

PubMed

Alecu, S; Dadarlat, V; Stanciu, E; Ionescu-Tirgoviste, C; Konerth, A M

1997-01-01

Diabetes represents a heterogeneous group of disturbances, which can have a different aetiology, but have in common glucidic, lipidic and proteinic metabolic disturbances. Insulin-dependent diabetes appears in genetically susceptible persons, as an autoimmune disease activated by environment factors. Epidemiological studies performed in different countries, notice the increasing of diabetes cases in the last decades. Therefore the informatic system EtioDiab (from Etiopathological diabetes) has been developed. The purpose of this system is to assist the medical research regarding the environment factors involved in the etiopathogenesis of insulin-dependent diabetes. The system offers the possibility of calculation of many statistic indicators, of graphic representation of the recorded data, of verification of the statistical hypotheses.

Influence of socio-economic factors on emotional changes during the postnatal period.

PubMed

Wszołek, Katarzyna; Żak, Ewa; Żurawska, Joanna; Olszewska, Jolanta; Pięta, Beata; Bojar, Iwona

2018-03-14

The aim of the study was to identify socio-economic factors that may influence the emotional changes which occur among new mothers in the first days postpartum. A group of 541 women completed a questionnaire consisting of 30 multiple-choice questions, Edinburgh Postnatal Depression Scale (EPDS), and Hospital Anxiety and Depression Scale (HADS). Statistical calculations were performed with the use of Statistica v.10 and Cytel Studio v. 9.0.0. The findings revealed the presence of factors which might increase the risk of mood disorders during the postpartum period. Women who demonstrate warning symptoms should be screened for postnatal emotional changes and mood swings during their hospitalization after delivery. EPDS seems to be a suitable tool for early detection of emotional disturbances.

Performance evaluation of the zero-multipole summation method in modern molecular dynamics software.

PubMed

Sakuraba, Shun; Fukuda, Ikuo

2018-05-04

The zero-multiple summation method (ZMM) is a cutoff-based method for calculating electrostatic interactions in molecular dynamics simulations, utilizing an electrostatic neutralization principle as a physical basis. Since the accuracies of the ZMM have been revealed to be sufficient in previous studies, it is highly desirable to clarify its practical performance. In this paper, the performance of the ZMM is compared with that of the smooth particle mesh Ewald method (SPME), where the both methods are implemented in molecular dynamics software package GROMACS. Extensive performance comparisons against a highly optimized, parameter-tuned SPME implementation are performed for various-sized water systems and two protein-water systems. We analyze in detail the dependence of the performance on the potential parameters and the number of CPU cores. Even though the ZMM uses a larger cutoff distance than the SPME does, the performance of the ZMM is comparable to or better than that of the SPME. This is because the ZMM does not require a time-consuming electrostatic convolution and because the ZMM gains short neighbor-list distances due to the smooth damping feature of the pairwise potential function near the cutoff length. We found, in particular, that the ZMM with quadrupole or octupole cancellation and no damping factor is an excellent candidate for the fast calculation of electrostatic interactions. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

A general formalism for phase space calculations

NASA Technical Reports Server (NTRS)

Norbury, John W.; Deutchman, Philip A.; Townsend, Lawrence W.; Cucinotta, Francis A.

1988-01-01

General formulas for calculating the interactions of galactic cosmic rays with target nuclei are presented. Methods for calculating the appropriate normalization volume elements and phase space factors are presented. Particular emphasis is placed on obtaining correct phase space factors for 2-, and 3-body final states. Calculations for both Lorentz-invariant and noninvariant phase space are presented.

Modeling the acute health effects of astronauts from exposure to large solar particle events.

PubMed

Hu, Shaowen; Kim, Myung-Hee Y; McClellan, Gene E; Cucinotta, Francis A

2009-04-01

Radiation exposure from Solar Particle Events (SPE) presents a significant health concern for astronauts for exploration missions outside the protection of the Earth's magnetic field, which could impair their performance and result in the possibility of failure of the mission. Assessing the potential for early radiation effects under such adverse conditions is of prime importance. Here we apply a biologically based mathematical model that describes the dose- and time-dependent early human responses that constitute the prodromal syndromes to consider acute risks from SPEs. We examine the possible early effects on crews from exposure to some historically large solar events on lunar and/or Mars missions. The doses and dose rates of specific organs were calculated using the Baryon radiation transport (BRYNTRN) code and a computerized anatomical man model, while the hazard of the early radiation effects and performance reduction were calculated using the Radiation-Induced Performance Decrement (RIPD) code. Based on model assumptions we show that exposure to these historical events would cause moderate early health effects to crew members inside a typical spacecraft or during extra-vehicular activities, if effective shielding and medical countermeasure tactics were not provided. We also calculate possible even worse cases (double intensity, multiple occurrences in a short period of time, etc.) to estimate the severity, onset and duration of various types of early illness. Uncertainties in the calculation due to limited data on relative biological effectiveness and dose-rate modifying factors for protons and secondary radiation, and the identification of sensitive sites in critical organs are discussed.

Fast correlation method for passive-solar design

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

Wray, W.O.; Biehl, F.A.; Kosiewicz, C.E.

1982-01-01

A passive-solar design manual for single-family detached residences and dormitory-type buildings is being developed. The design procedure employed in the manual is a simplification of the original monthly solar load ratio (SLR) method. The new SLR correlations involve a single constant for each system. The correlation constant appears as a scale factor permitting the use of a universal performance curve for all passive systems. Furthermore, by providing location-dependent correlations between the annual solar heating fraction (SHF) and the minimum monthly SHF, we have eliminated the need to perform an SLR calculation for each month of the heating season.

A passive-solar design manual for the United States Navy

NASA Astrophysics Data System (ADS)

Wray, W. O.; Biehl, F. A.; Kosiewicz, C. E.; Miles, C. E.; Durlak, E. R.

1982-06-01

A passive solar design manual for single-family detached residences and dormitory-type buildings is developed. The design procedure employed in the manual is a simplification of the original monthly solar load ratio (SLR) method. The new SLR correlations involve a single constant for each system. The correlation constant appears as a scale factor permitting the use of a universal performance curve for all passive systems. Furthermore, by providing location-dependent correlations between the annual solar heating fraction (SHF) and the minimum monthly SHF, the need to perform an SLR calculation for each month of the heating season is eliminated.

Passive-solar design manual for the United States Navy

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

Wray, W.O.; Biehl, F.A.; Kosiewicz, C.R.

1982-01-01

A passive solar design manual for single-family detached residences and dormitory-type buildings is being developed. The design procedure employed in the manual is a simplification of the original monthly solar load ratio (SLR) method. The new SLR correlations involve a single constant for each system. The correlation constant appears as a scale factor permitting the use of a universal performance curve for all passive systems. Furthermore, by providing location-dependent correlations between the annual solar heating fraction (SHF)* and the minimum monthly SHF, we have eliminated the need to perform an SLR calculation for each month of the heating season.

Non-specific low back pain: occupational or lifestyle consequences?

PubMed

Stričević, Jadranka; Papež, Breda Jesenšek

2015-12-01

Nursing occupation was identified as a risk occupation for the development of low back pain (LBP). The aim of our study was to find out how much occupational factors influence the development of LBP in hospital nursing personnel. Non-experimental approach with a cross-sectional survey and statistical analysis. Nine hundred questionnaires were distributed among nursing personnel, 663 were returned and 659 (73.2 %) were considered for the analysis. Univariate and multivariate statistics for LBP risk was calculated by the binary logistic regression. The χ(2), influence factor, 95 % confidence interval and P value were calculated. Multivariate binary logistic regression was calculated by the Wald method to omit insignificant variables. Not performing exercises represented the highest risk for the development of LBP (OR 2.8, 95 % CI 1.7-4.4; p < 0.001). The second and third ranked risk factors were frequent manual lifting > 10 kg (OR 2.4, 95 % CI 1.5-3.8; p < 0.001) and duration of employment ≥ 19 years (OR 2.4, 95 % CI 1.6-3.7; p < 0.001). The fourth ranked risk factor was better physical condition by frequent recreation and sports, which reduced the risk for the development of LBP (OR 0.4, 95 % CI 0.3-0.7; p = 0.001). Work with the computer ≥ 2 h per day as last significant risk factor also reduced the risk for the development of LBP (OR 0.6, 95 % CI 0.4-0.1; p = 0.049). Risk factors for LBP established in our study (exercises, duration of employment, frequent manual lifting, recreation and sports and work with the computer) are not specifically linked to the working environment of the nursing personnel. Rather than focusing on mechanical causes and direct workload in the development of non-specific LBP, the complex approach to LBP including genetics, psychosocial environment, lifestyle and quality of life is coming more to the fore.

Renormalization group analysis of B →π form factors with B -meson light-cone sum rules

NASA Astrophysics Data System (ADS)

Shen, Yue-Long; Wei, Yan-Bing; Lü, Cai-Dian

2018-03-01

Within the framework of the B -meson light-cone sum rules, we review the calculation of radiative corrections to the three B →π transition form factors at leading power in Λ /mb. To resum large logarithmic terms, we perform the complete renormalization group evolution of the correlation function. We employ the integral transformation which diagonalizes evolution equations of the jet function and the B -meson light-cone distribution amplitude to solve these evolution equations and obtain renormalization group improved sum rules for the B →π form factors. Results of the form factors are extrapolated to the whole physical q2 region and are compared with that of other approaches. The effect of B -meson three-particle light-cone distribution amplitudes, which will contribute to the form factors at next-to-leading power in Λ /mb at tree level, is not considered in this paper.

Homogeneous nucleation and microstructure evolution in million-atom molecular dynamics simulation

PubMed Central

Shibuta, Yasushi; Oguchi, Kanae; Takaki, Tomohiro; Ohno, Munekazu

2015-01-01

Homogeneous nucleation from an undercooled iron melt is investigated by the statistical sampling of million-atom molecular dynamics (MD) simulations performed on a graphics processing unit (GPU). Fifty independent instances of isothermal MD calculations with one million atoms in a quasi-two-dimensional cell over a nanosecond reveal that the nucleation rate and the incubation time of nucleation as functions of temperature have characteristic shapes with a nose at the critical temperature. This indicates that thermally activated homogeneous nucleation occurs spontaneously in MD simulations without any inducing factor, whereas most previous studies have employed factors such as pressure, surface effect, and continuous cooling to induce nucleation. Moreover, further calculations over ten nanoseconds capture the microstructure evolution on the order of tens of nanometers from the atomistic viewpoint and the grain growth exponent is directly estimated. Our novel approach based on the concept of “melting pots in a supercomputer” is opening a new phase in computational metallurgy with the aid of rapid advances in computational environments. PMID:26311304

Comparison of measured and predicted performance of a SIS waveguide mixer at 345 GHz

NASA Technical Reports Server (NTRS)

Honingh, C. E.; Delange, G.; Dierichs, M. M. T. M.; Schaeffer, H. H. A.; Wezelman, J.; Vandekuur, J.; Degraauw, T.; Klapwijk, T. M.

1992-01-01

The measured gain and noise of a SIS waveguide mixer at 345 GHz have been compared with theoretical values, calculated from the quantum mixer theory using a three port model. As a mixing element, we use a series array of two Nb-Al2O3-Nb SIS junctions. The area of each junction is 0.8 sq microns and the normal state resistance is 52 omega. The embedding impedance of the mixer has been determined from the pumped DC-IV curves of the junction and is compared to results from scale model measurements (105 x). Good agreement was obtained. The measured mixer gain, however, is a factor of 0.45 plus or minus 0.5 lower than the theoretical predicted gain. The measured mixer noise temperature is a factor of 4-5 higher than the calculated one. These discrepancies are independent on pump power and are valid for a broad range of tuning conditions.

Standardisation of the (129)I, (151)Sm and (166m)Ho activity concentration using the CIEMAT/NIST efficiency tracing method.

PubMed

Altzitzoglou, Timotheos; Rožkov, Andrej

2016-03-01

The (129)I, (151)Sm and (166m)Ho standardisations using the CIEMAT/NIST efficiency tracing method, that have been carried out in the frame of the European Metrology Research Program project "Metrology for Radioactive Waste Management" are described. The radionuclide beta counting efficiencies were calculated using two computer codes CN2005 and MICELLE2. The sensitivity analysis of the code input parameters (ionization quenching factor, beta shape factor) on the calculated efficiencies was performed, and the results are discussed. The combined relative standard uncertainty of the standardisations of the (129)I, (151)Sm and (166m)Ho solutions were 0.4%, 0.5% and 0.4%, respectively. The stated precision obtained using the CIEMAT/NIST method is better than that previously reported in the literature obtained by the TDCR ((129)I), the 4πγ-NaI ((166m)Ho) counting or the CIEMAT/NIST method ((151)Sm). Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

A sensitivity analysis of volcanic aerosol dispersion in the stratosphere. [Mt. Fuego, Guatemala eruptions

NASA Technical Reports Server (NTRS)

Butler, C. F.

1979-01-01

A computer sensitivity analysis was performed to determine the uncertainties involved in the calculation of volcanic aerosol dispersion in the stratosphere using a 2 dimensional model. The Fuego volcanic event of 1974 was used. Aerosol dispersion processes that were included are: transport, sedimentation, gas phase sulfur chemistry, and aerosol growth. Calculated uncertainties are established from variations in the stratospheric aerosol layer decay times at 37 latitude for each dispersion process. Model profiles are also compared with lidar measurements. Results of the computer study are quite sensitive (factor of 2) to the assumed volcanic aerosol source function and the large variations in the parameterized transport between 15 and 20 km at subtropical latitudes. Sedimentation effects are uncertain by up to a factor of 1.5 because of the lack of aerosol size distribution data. The aerosol chemistry and growth, assuming that the stated mechanisms are correct, are essentially complete in several months after the eruption and cannot explain the differences between measured and modeled results.

Masticatory performance and oral health-related quality of life before and after complete denture treatment.

PubMed

Yamamoto, Saori; Shiga, Hiroshi

2018-03-13

To clarify the relationship between masticatory performance and oral health-related quality of life (OHRQoL) before and after complete denture treatment. Thirty patients wearing complete dentures were asked to chew a gummy jelly on their habitual chewing side, and the amount of glucose extraction during chewing was measured as the parameter of masticatory performance. Subjects were asked to answer the Oral Health Impact Profile (OHIP-J49) questionnaire, which consists of 49 questions related to oral problems. The total score of 49 question items along with individual domain scores within the seven domains (functional limitation, pain, psychological discomfort, physical disability, psychological disability, social disability and handicap) were calculated and used as the parameters of OHRQoL. These records were obtained before treatment and 3 months after treatment. Each parameter of masticatory performance and OHRQoL was compared before treatment and after treatment. The relationship between masticatory performance and OHRQoL was investigated, and a stepwise multiple linear regression analysis was performed. Both masticatory performance and OHRQoL were significantly improved after treatment. Furthermore, masticatory performance was significantly correlated with some parameters of OHRQoL. The stepwise multiple linear regression analysis showed functional limitation and pain as important factors affecting masticatory performance before treatment and functional limitation as important factors affecting masticatory performance after treatment. These results suggested that masticatory performance and OHRQoL are significantly improved after treatment and that there is a close relationship between the two. Moreover, functional limitation was found to be the most important factor affecting masticatory performance. Copyright © 2018 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

CP decomposition approach to blind separation for DS-CDMA system using a new performance index

NASA Astrophysics Data System (ADS)

Rouijel, Awatif; Minaoui, Khalid; Comon, Pierre; Aboutajdine, Driss

2014-12-01

In this paper, we present a canonical polyadic (CP) tensor decomposition isolating the scaling matrix. This has two major implications: (i) the problem conditioning shows up explicitly and could be controlled through a constraint on the so-called coherences and (ii) a performance criterion concerning the factor matrices can be exactly calculated and is more realistic than performance metrics used in the literature. Two new algorithms optimizing the CP decomposition based on gradient descent are proposed. This decomposition is illustrated by an application to direct-sequence code division multiplexing access (DS-CDMA) systems; computer simulations are provided and demonstrate the good behavior of these algorithms, compared to others in the literature.

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

Xu, H; Guerrero, M; Chen, S

Purpose: The TG-71 report was published in 2014 to present standardized methodologies for MU calculations and determination of dosimetric quantities. This work explores the clinical implementation of a TG71-based electron MU calculation algorithm and compares it with a recently released commercial secondary calculation program–Mobius3D (Mobius Medical System, LP). Methods: TG-71 electron dosimetry data were acquired, and MU calculations were performed based on the recently published TG-71 report. The formalism in the report for extended SSD using air-gap corrections was used. The dosimetric quantities, such PDD, output factor, and f-air factors were incorporated into an organized databook that facilitates data accessmore » and subsequent computation. The Mobius3D program utilizes a pencil beam redefinition algorithm. To verify the accuracy of calculations, five customized rectangular cutouts of different sizes–6×12, 4×12, 6×8, 4×8, 3×6 cm{sup 2}–were made. Calculations were compared to each other and to point dose measurements for electron beams of energy 6, 9, 12, 16, 20 MeV. Each calculation / measurement point was at the depth of maximum dose for each cutout in a 10×10 cm{sup 2} or 15×15cm{sup 2} applicator with SSDs 100cm and 110cm. Validation measurements were made with a CC04 ion chamber in a solid water phantom for electron beams of energy 9 and 16 MeV. Results: Differences between the TG-71 and the commercial system relative to measurements were within 3% for most combinations of electron energy, cutout size, and SSD. A 5.6% difference between the two calculation methods was found only for the 6MeV electron beam with 3×6 cm{sup 2}cutout in the 10×10{sup 2}cm applicator at 110cm SSD. Both the TG-71 and the commercial calculations show good consistency with chamber measurements: for 5 cutouts, <1% difference for 100cm SSD, and 0.5–2.7% for 110cm SSD. Conclusions: Based on comparisons with measurements, a TG71-based computation method and a Mobius3D program produce reasonably accurate MU calculations for electron-beam therapy.« less

Air Pathway Dose Modeling for the E-Area Low-Level Waste Facility

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

Dixon, K. L.; Minter, K. M.

2017-09-06

Dose-release factors (DRFs) were calculated for potential atmospheric releases of several radionuclides from the E-Area Low-Level Waste Facility (ELLWF). The ELLWF receives solid low-level radioactive waste from across the Savannah River Site (SRS) and offsite for disposal. These factors represent the maximum dose a receptor would receive if standing at either 100 m or 11,410 m (Site Boundary) from the edge of an ELLWF disposal unit which are points of assessment (POA) for Department of Energy (DOE) Order 435.1 performance assessments (PA). The DRFs were calculated for 1 Ci of the specified radionuclide being released from the ground surface tomore » the atmosphere (mrem per curie released). The calculation conservatively represented the ELLWF as a point source, and conservatively assumed the receptor was positioned at the center of the contaminant plume and continuously exposed for a period of one year. These DRFs can be refined to take into consideration disposal unit size, proximity and timing of peak dose to establish less conservative radionuclide specific disposal limits. DRFs were calculated for H-3 and C-14 in Revision 0 of this report. H-3 as HTO and C-14 as CO 2 were identified as volatile radionuclides of potential concern in earlier radionuclide screening studies. In Revision 1, DRFs were calculated for eight additional radionuclides identified by an updated screening analysis as potentially important volatile radionuclides. These include Ar-37, Ar-39, Ar-42, Hg-194, Hg- 203, Kr-81, Kr-85, and Xe-127.« less

Identification of regional activation by factorization of high-density surface EMG signals: A comparison of Principal Component Analysis and Non-negative Matrix factorization.

PubMed

Gallina, Alessio; Garland, S Jayne; Wakeling, James M

2018-05-22

In this study, we investigated whether principal component analysis (PCA) and non-negative matrix factorization (NMF) perform similarly for the identification of regional activation within the human vastus medialis. EMG signals from 64 locations over the VM were collected from twelve participants while performing a low-force isometric knee extension. The envelope of the EMG signal of each channel was calculated by low-pass filtering (8 Hz) the monopolar EMG signal after rectification. The data matrix was factorized using PCA and NMF, and up to 5 factors were considered for each algorithm. Association between explained variance, spatial weights and temporal scores between the two algorithms were compared using Pearson correlation. For both PCA and NMF, a single factor explained approximately 70% of the variance of the signal, while two and three factors explained just over 85% or 90%. The variance explained by PCA and NMF was highly comparable (R > 0.99). Spatial weights and temporal scores extracted with non-negative reconstruction of PCA and NMF were highly associated (all p < 0.001, mean R > 0.97). Regional VM activation can be identified using high-density surface EMG and factorization algorithms. Regional activation explains up to 30% of the variance of the signal, as identified through both PCA and NMF. Copyright © 2018 Elsevier Ltd. All rights reserved.

Context factors in consultations of general practitioner trainees and their impact on communication assessment in the authentic setting.

PubMed

Essers, Geurt; van Dulmen, Sandra; van Es, Judy; van Weel, Chris; van der Vleuten, Cees; Kramer, Anneke

2013-12-01

Acquiring adequate communication skills is an essential part of general practice (GP) specialty training. In assessing trainee proficiency, the context in which trainees communicate is usually not taken into account. The present paper aims to explore what context factors can be found in regular GP trainee consultations and how these influence their communication performance. In a randomly selected sample of 44 videotaped, real-life GP trainee consultations, we searched for context factors previously identified in GP consultations and explored how trainee ratings change if context factors are taken into account. Trainee performance was rated twice using the MAAS-Global, first without and then with incorporating context factors. Item score differences were calculated using a paired samples t-test and effect sizes were computed. All previously identified context factors were again observed in GP trainee consultations. In communication assessment scores, we found a significant difference in 5 out of 13 MAAS-Global items, mostly in a positive direction. The effect size was moderate (0.57). GP trainee communication is influenced by contextual factors; they seem to adapt to context in a professional way. GP specialty training needs to focus on a context-specific application of communication skills. Communication raters need to be taught how to incorporate context factors into their assessments. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

MISSE 2 PEACE Polymers Experiment Atomic Oxygen Erosion Yield Error Analysis

NASA Technical Reports Server (NTRS)

McCarthy, Catherine E.; Banks, Bruce A.; deGroh, Kim, K.

2010-01-01

Atomic oxygen erosion of polymers in low Earth orbit (LEO) poses a serious threat to spacecraft performance and durability. To address this, 40 different polymer samples and a sample of pyrolytic graphite, collectively called the PEACE (Polymer Erosion and Contamination Experiment) Polymers, were exposed to the LEO space environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of the Materials International Space Station Experiment 1 & 2 (MISSE 1 & 2). The purpose of the PEACE Polymers experiment was to obtain accurate mass loss measurements in space to combine with ground measurements in order to accurately calculate the atomic oxygen erosion yields of a wide variety of polymeric materials exposed to the LEO space environment for a long period of time. Error calculations were performed in order to determine the accuracy of the mass measurements and therefore of the erosion yield values. The standard deviation, or error, of each factor was incorporated into the fractional uncertainty of the erosion yield for each of three different situations, depending on the post-flight weighing procedure. The resulting error calculations showed the erosion yield values to be very accurate, with an average error of 3.30 percent.

46 CFR 42.15-25 - Hatchways closed by portable covers and secured weathertight by tarpaulins and battening devices.

Code of Federal Regulations, 2010 CFR

2010-10-01

... maximum stress thus calculated and the factor 4.25 shall not exceed the minimum ultimate strength of the... foot on hatchways in position 2 and the product of the maximum stress thus calculated and the factor 5... product of the maximum stress thus calculated and the factor 5 shall not exceed the minimum ultimate...

46 CFR 42.15-25 - Hatchways closed by portable covers and secured weathertight by tarpaulins and battening devices.

Code of Federal Regulations, 2011 CFR

2011-10-01

... maximum stress thus calculated and the factor 4.25 shall not exceed the minimum ultimate strength of the... foot on hatchways in position 2 and the product of the maximum stress thus calculated and the factor 5... product of the maximum stress thus calculated and the factor 5 shall not exceed the minimum ultimate...

46 CFR 42.15-25 - Hatchways closed by portable covers and secured weathertight by tarpaulins and battening devices.

Code of Federal Regulations, 2012 CFR

2012-10-01

... maximum stress thus calculated and the factor 4.25 shall not exceed the minimum ultimate strength of the... foot on hatchways in position 2 and the product of the maximum stress thus calculated and the factor 5... product of the maximum stress thus calculated and the factor 5 shall not exceed the minimum ultimate...

46 CFR 42.15-25 - Hatchways closed by portable covers and secured weathertight by tarpaulins and battening devices.

Code of Federal Regulations, 2014 CFR

2014-10-01

... maximum stress thus calculated and the factor 4.25 shall not exceed the minimum ultimate strength of the... foot on hatchways in position 2 and the product of the maximum stress thus calculated and the factor 5... product of the maximum stress thus calculated and the factor 5 shall not exceed the minimum ultimate...

46 CFR 42.15-25 - Hatchways closed by portable covers and secured weathertight by tarpaulins and battening devices.

Code of Federal Regulations, 2013 CFR

2013-10-01

... maximum stress thus calculated and the factor 4.25 shall not exceed the minimum ultimate strength of the... foot on hatchways in position 2 and the product of the maximum stress thus calculated and the factor 5... product of the maximum stress thus calculated and the factor 5 shall not exceed the minimum ultimate...

Performance Acceleration on Production Machines Using the Overall Equipment Effectiveness (OEE) Approach

NASA Astrophysics Data System (ADS)

Mansur, A.; Rayendra, R.; Mastur, MI

2016-01-01

Mistakes during working can trigger a decrease in production level that may lead financial loss to the company. The factors that affect the mistakes are called losses, such as breakdown loss, set up/ adjustment loss, idling and minor stoppage loss, reduced speed loss, reduced yield loss, and rework loss. The objective of the research is to accelerate the performance of the JSW 330T machine in PT. YogyaPresisiTehnikatamaIndustri. JSW 330T is a machine that has the highest downtime numbers. The method for measuring the effectiveness is using the Overall Equipment Effectiveness (OEE). The results of the research show that the JWQ 330T has average rate of the effectiveness (OEE) of 52.66%, availability ratioof 73.43%, performance efficiency rate of 83.58% and quality rate of 84.6%. From the six big losses calculation, the factor that affects the most on the low score of OEE is the breakdown loss which is 58.85% with total time loss of 929.65 hours in a year.

Diagnosis-Specific Prognostic Factors, Indexes, and Treatment Outcomes for Patients With Newly Diagnosed Brain Metastases: A Multi-Institutional Analysis of 4,259 Patients

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

Sperduto, Paul W., E-mail: psperduto@mropa.co; Chao, Samuel T.; Sneed, Penny K.

2010-07-01

Purpose: Controversy endures regarding the optimal treatment of patients with brain metastases (BMs). Debate persists, despite many randomized trials, perhaps because BM patients are a heterogeneous population. The purpose of the present study was to identify significant diagnosis-specific prognostic factors and indexes (Diagnosis-Specific Graded Prognostic Assessment [DS-GPA]). Methods and Materials: A retrospective database of 5,067 patients treated for BMs between 1985 and 2007 was generated from 11 institutions. After exclusion of the patients with recurrent BMs or incomplete data, 4,259 patients with newly diagnosed BMs remained eligible for analysis. Univariate and multivariate analyses of the prognostic factors and outcomes bymore » primary site and treatment were performed. The significant prognostic factors were determined and used to define the DS-GPA prognostic indexes. The DS-GPA scores were calculated and correlated with the outcomes, stratified by diagnosis and treatment. Results: The significant prognostic factors varied by diagnosis. For non-small-cell lung cancer and small-cell lung cancer, the significant prognostic factors were Karnofsky performance status, age, presence of extracranial metastases, and number of BMs, confirming the original GPA for these diagnoses. For melanoma and renal cell cancer, the significant prognostic factors were Karnofsky performance status and the number of BMs. For breast and gastrointestinal cancer, the only significant prognostic factor was the Karnofsky performance status. Two new DS-GPA indexes were thus designed for breast/gastrointestinal cancer and melanoma/renal cell carcinoma. The median survival by GPA score, diagnosis, and treatment were determined. Conclusion: The prognostic factors for BM patients varied by diagnosis. The original GPA was confirmed for non-small-cell lung cancer and small-cell lung cancer. New DS-GPA indexes were determined for other histologic types and correlated with the outcome, and statistical separation between the groups was confirmed. These data should be considered in the design of future randomized trials and in clinical decision-making.« less

Thrust stand evaluation of engine performance improvement algorithms in an F-15 airplane

NASA Technical Reports Server (NTRS)

Conners, Timothy R.

1992-01-01

An investigation is underway to determine the benefits of a new propulsion system optimization algorithm in an F-15 airplane. The performance seeking control (PSC) algorithm optimizes the quasi-steady-state performance of an F100 derivative turbofan engine for several modes of operation. The PSC algorithm uses an onboard software engine model that calculates thrust, stall margin, and other unmeasured variables for use in the optimization. As part of the PSC test program, the F-15 aircraft was operated on a horizontal thrust stand. Thrust was measured with highly accurate load cells. The measured thrust was compared to onboard model estimates and to results from posttest performance programs. Thrust changes using the various PSC modes were recorded. Those results were compared to benefits using the less complex highly integrated digital electronic control (HIDEC) algorithm. The PSC maximum thrust mode increased intermediate power thrust by 10 percent. The PSC engine model did very well at estimating measured thrust and closely followed the transients during optimization. Quantitative results from the evaluation of the algorithms and performance calculation models are included with emphasis on measured thrust results. The report presents a description of the PSC system and a discussion of factors affecting the accuracy of the thrust stand load measurements.

Analysis of neutron propagation from the skyshine port of a fusion neutron source facility

NASA Astrophysics Data System (ADS)

Wakisaka, M.; Kaneko, J.; Fujita, F.; Ochiai, K.; Nishitani, T.; Yoshida, S.; Sawamura, T.

2005-12-01

The process of neutron leaking from a 14 MeV neutron source facility was analyzed by calculations and experiments. The experiments were performed at the Fusion Neutron Source (FNS) facility of the Japan Atomic Energy Institute, Tokai-mura, Japan, which has a port on the roof for skyshine experiments, and a 3He counter surrounded with a polyethylene moderator of different thicknesses was used to estimate the energy spectra and dose distributions. The 3He counter with a 3-cm-thick moderator was also used for dose measurements, and the doses evaluated by the counter counts and the calculated count-to-dose conversion factor agreed with the calculations to within ˜30%. The dose distribution was found to fit a simple analytical expression, D(r)=Q{exp(-r/λD)}/{r} and the parameters Q and λD are discussed.

Synthesis, characterization, and DFT studies of a new chiral ionic liquid from (S)-1-phenylethylamine.

PubMed

Cui, Shuya; Wang, Tao; Hu, Xiaoli

2014-12-10

A new chiral ionic liquid was synthesized from (S)-1-phenylethylamine and it was studied by IR, Raman, polarimetry, NMR and X-ray crystal diffraction. Its vibrational spectral bands are precisely ascribed to the studied structure with the aid of DFT theoretical calculations. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. The vibrational spectral data obtained from IR and Raman spectra are assigned based on the results of the theoretical calculations by the DFT-B3LYP method at 6-311G(d,p) level. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies.The vibrational modes assignments were performed by using the animation option of GaussView5.0 graphical interface for Gaussian program. Copyright © 2014 Elsevier B.V. All rights reserved.

STRATOSPHERIC TEMPERATURES AND WATER LOSS FROM MOIST GREENHOUSE ATMOSPHERES OF EARTH-LIKE PLANETS

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

Kasting, James F.; Kopparapu, Ravi K.; Chen, Howard, E-mail: jfk4@psu.edu, E-mail: hwchen@bu.edu

A radiative-convective climate model is used to calculate stratospheric temperatures and water vapor concentrations for ozone-free atmospheres warmer than that of modern Earth. Cold, dry stratospheres are predicted at low surface temperatures, in agreement with recent 3D calculations. However, at surface temperatures above 350 K, the stratosphere warms and water vapor becomes a major upper atmospheric constituent, allowing water to be lost by photodissociation and hydrogen escape. Hence, a moist greenhouse explanation for loss of water from Venus, or some exoplanet receiving a comparable amount of stellar radiation, remains a viable hypothesis. Temperatures in the upper parts of such atmospheresmore » are well below those estimated for a gray atmosphere, and this factor should be taken into account when performing inverse climate calculations to determine habitable zone boundaries using 1D models.« less

Next-to-leading-logarithmic power corrections for N -jettiness subtraction in color-singlet production

NASA Astrophysics Data System (ADS)

Boughezal, Radja; Isgrò, Andrea; Petriello, Frank

2018-04-01

We present a detailed derivation of the power corrections to the factorization theorem for the 0-jettiness event shape variable T . Our calculation is performed directly in QCD without using the formalism of effective field theory. We analytically calculate the next-to-leading logarithmic power corrections for small T at next-to-leading order in the strong coupling constant, extending previous computations which obtained only the leading-logarithmic power corrections. We address a discrepancy in the literature between results for the leading-logarithmic power corrections to a particular definition of 0-jettiness. We present a numerical study of the power corrections in the context of their application to the N -jettiness subtraction method for higher-order calculations, using gluon-fusion Higgs production as an example. The inclusion of the next-to-leading-logarithmic power corrections further improves the numerical efficiency of the approach beyond the improvement obtained from the leading-logarithmic power corrections.

Experimental and numerical investigation of development of disturbances in the boundary layer on sharp and blunted cone

NASA Astrophysics Data System (ADS)

Borisov, S. P.; Bountin, D. A.; Gromyko, Yu. V.; Khotyanovsky, D. V.; Kudryavtsev, A. N.

2016-10-01

Development of disturbances in the supersonic boundary layer on sharp and blunted cones is studied both experimentally and theoretically. The experiments were conducted at the Transit-M hypersonic wind tunnel of the Institute of Theoretical and Applied Mechanics. Linear stability calculations use the basic flow profiles provided by the numerical simulations performed by solving the Navier-Stokes equations with the ANSYS Fluent and the in-house CFS3D code. Both the global pseudospectral Chebyshev method and the local iteration procedure are employed to solve the eigenvalue problem and determine linear stability characteristics. The calculated amplification factors for disturbances of various frequencies are compared with the experimentally measured pressure fluctuation spectra at different streamwise positions. It is shown that the linear stability calculations predict quite accurately the frequency of the most amplified disturbances and enable us to estimate reasonably well their relative amplitudes.

Finding trap stiffness of optical tweezers using digital filters.

PubMed

Almendarez-Rangel, Pedro; Morales-Cruzado, Beatriz; Sarmiento-Gómez, Erick; Pérez-Gutiérrez, Francisco G

2018-02-01

Obtaining trap stiffness and calibration of the position detection system is the basis of a force measurement using optical tweezers. Both calibration quantities can be calculated using several experimental methods available in the literature. In most cases, stiffness determination and detection system calibration are performed separately, often requiring procedures in very different conditions, and thus confidence of calibration methods is not assured due to possible changes in the environment. In this work, a new method to simultaneously obtain both the detection system calibration and trap stiffness is presented. The method is based on the calculation of the power spectral density of positions through digital filters to obtain the harmonic contributions of the position signal. This method has the advantage of calculating both trap stiffness and photodetector calibration factor from the same dataset in situ. It also provides a direct method to avoid unwanted frequencies that could greatly affect calibration procedure, such as electric noise, for example.

[CALCULATION OF THE PROBABILITY OF METALS INPUT INTO AN ORGANISM WITH DRINKING POTABLE WATERS].

PubMed

Tunakova, Yu A; Fayzullin, R I; Valiev, V S

2015-01-01

The work was performed in framework of the State program for the improvement of the competitiveness of Kazan (Volga) Federal University among the world's leading research and education centers and subsidies unveiled to Kazan Federal University to perform public tasks in the field of scientific research. In the current methodological recommendations "Guide for assessing the risk to public health under the influence of chemicals that pollute the environment," P 2.1.10.1920-04 there is regulated the determination of quantitative and/or qualitative characteristics of the harmful effects to human health from exposure to environmental factors. We proposed to complement the methodological approaches presented in P 2.1.10.1920-04, with the estimation of the probability of pollutants input in the body with drinking water which is the greater, the higher the order of the excess of the actual concentrations of the substances in comparison with background concentrations. In the paper there is proposed a method of calculation of the probability of exceeding the actual concentrations of metal cations above the background in samples of drinking water consumed by the population, which were selected at the end points of consumption in houses and apartments, to accommodate the passage of secondary pollution ofwater pipelines and distributing paths. Research was performed on the example of Kazan, divided into zones. The calculation of probabilities was made with the use of Bayes' theorem.

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

DOE PAGES

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola; ...

2017-05-01

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

Optimizing the performance and structure of the D0 Collie confidence limit evaluator

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

Fishchler, Mark; /Fermilab

2010-07-01

D0 Collie is a program used to perform limit calculations based on ensembles of pseudo-experiments ('PEs'). Since the application of this program to the crucial Higgs mass limit is quite CPU intensive, it has been deemed important to carefully review this program, with an eye toward identifying and implementing potential performance improvements. At the same time, we identify any coding errors or opportunities for potential structural (or algorithm) improvement discovered in the course of gaining sufficient understanding of the workings of Collie to sensibly explore for optimizations. Based on a careful analysis of the program, a series of code changesmore » with potential for improving performance has been identified. The implementation and evaluation of the most important parts of this series has been done, with gratifying speedup results. The bottom line: We have identified and implemented changes leading to a factor of 2.19 speedup in the example program provided, and expected to translate to a factor of roughly 4 speedup in typical realistic usage.« less

Performance and accuracy of criticality calculations performed using WARP – A framework for continuous energy Monte Carlo neutron transport in general 3D geometries on GPUs

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

Bergmann, Ryan M.; Rowland, Kelly L.; Radnović, Nikola

In this companion paper to "Algorithmic Choices in WARP - A Framework for Continuous Energy Monte Carlo Neutron Transport in General 3D Geometries on GPUs" (doi:10.1016/j.anucene.2014.10.039), the WARP Monte Carlo neutron transport framework for graphics processing units (GPUs) is benchmarked against production-level central processing unit (CPU) Monte Carlo neutron transport codes for both performance and accuracy. We compare neutron flux spectra, multiplication factors, runtimes, speedup factors, and costs of various GPU and CPU platforms running either WARP, Serpent 2.1.24, or MCNP 6.1. WARP compares well with the results of the production-level codes, and it is shown that on the newestmore » hardware considered, GPU platforms running WARP are between 0.8 to 7.6 times as fast as CPU platforms running production codes. Also, the GPU platforms running WARP were between 15% and 50% as expensive to purchase and between 80% to 90% as expensive to operate as equivalent CPU platforms performing at an equal simulation rate.« less

New technology in turbine aerodynamics

NASA Technical Reports Server (NTRS)

Glassman, A. J.; Moffitt, T. P.

1972-01-01

A cursory review is presented of some of the recent work that has been done in turbine aerodynamic research at NASA-Lewis Research Center. Topics discussed include the aerodynamic effect of turbine coolant, high work-factor (ratio of stage work to square of blade speed) turbines, and computer methods for turbine design and performance prediction. An extensive bibliography is included. Experimental cooled-turbine aerodynamics programs using two-dimensional cascades, full annular cascades, and cold rotating turbine stage tests are discussed with some typical results presented. Analytically predicted results for cooled blade performance are compared to experimental results. The problems and some of the current programs associated with the use of very high work factors for fan-drive turbines of high-bypass-ratio engines are discussed. Turbines currently being investigated make use of advanced blading concepts designed to maintain high efficiency under conditions of high aerodynamic loading. Computer programs have been developed for turbine design-point performance, off-design performance, supersonic blade profile design, and the calculation of channel velocities for subsonic and transonic flow fields. The use of these programs for the design and analysis of axial and radial turbines is discussed.

The scalar and electromagnetic form factors of the nucleon in dispersively improved Chiral EFT

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

Alarcon, Jose Manuel

We present a method for calculating the nucleon form factors of G-parity-even operators. This method combines chiral effective field theory (χEFT) and dispersion theory. Through unitarity we factorize the imaginary part of the form factors into a perturbative part, calculable with χEFT, and a non-perturbative part, obtained through other methods. We consider the scalar and electromagnetic (EM) form factors of the nucleon. The results show an important improvement compared to standard chiral calculations, and can be used in analysis of the low-energy properties of the nucleon.

Determination of K shell absorption jump factors and jump ratios of 3d transition metals by measuring K shell fluorescence parameters.

PubMed

Kaçal, Mustafa Recep; Han, İbrahim; Akman, Ferdi

2015-01-01

Energy dispersive X-ray fluorescence technique (EDXRF) has been employed for measuring K-shell absorption jump factors and jump ratios for Ti, Cr, Fe, Co, Ni and Cu elements. The jump factors and jump ratios for these elements were determined by measuring K shell fluorescence parameters such as the Kα X-ray production cross-sections, K shell fluorescence yields, Kβ-to-Kα X-rays intensity ratios, total atomic absorption cross sections and mass attenuation coefficients. The measurements were performed using a Cd-109 radioactive point source and an Si(Li) detector in direct excitation and transmission experimental geometry. The measured values for jump factors and jump ratios were compared with theoretically calculated and the ones available in the literature. Copyright © 2014 Elsevier Ltd. All rights reserved.

A case study of view-factor rectification procedures for diffuse-gray radiation enclosure computations

NASA Technical Reports Server (NTRS)

Taylor, Robert P.; Luck, Rogelio

1995-01-01

The view factors which are used in diffuse-gray radiation enclosure calculations are often computed by approximate numerical integrations. These approximately calculated view factors will usually not satisfy the important physical constraints of reciprocity and closure. In this paper several view-factor rectification algorithms are reviewed and a rectification algorithm based on a least-squares numerical filtering scheme is proposed with both weighted and unweighted classes. A Monte-Carlo investigation is undertaken to study the propagation of view-factor and surface-area uncertainties into the heat transfer results of the diffuse-gray enclosure calculations. It is found that the weighted least-squares algorithm is vastly superior to the other rectification schemes for the reduction of the heat-flux sensitivities to view-factor uncertainties. In a sample problem, which has proven to be very sensitive to uncertainties in view factor, the heat transfer calculations with weighted least-squares rectified view factors are very good with an original view-factor matrix computed to only one-digit accuracy. All of the algorithms had roughly equivalent effects on the reduction in sensitivity to area uncertainty in this case study.

Specifying an implementation framework for Veterans Affairs antimicrobial stewardship programmes: using a factor analysis approach.

PubMed

Chou, Ann F; Graber, Christopher J; Zhang, Yue; Jones, Makoto; Goetz, Matthew Bidwell; Madaras-Kelly, Karl; Samore, Matthew; Glassman, Peter A

2018-06-04

Inappropriate antibiotic use poses a serious threat to patient safety. Antimicrobial stewardship programmes (ASPs) may optimize antimicrobial use and improve patient outcomes, but their implementation remains an organizational challenge. Using the Promoting Action on Research Implementation in Health Services (PARiHS) framework, this study aimed to identify organizational factors that may facilitate ASP design, development and implementation. Among 130 Veterans Affairs facilities that offered acute care, we classified organizational variables supporting antimicrobial stewardship activities into three PARiHS domains: evidence to encompass sources of knowledge; contexts to translate evidence into practice; and facilitation to enhance the implementation process. We conducted a series of exploratory factor analyses to identify conceptually linked factor scales. Cronbach's alphas were calculated. Variables with large uniqueness values were left as single factors. We identified 32 factors, including six constructs derived from factor analyses under the three PARiHS domains. In the evidence domain, four factors described guidelines and clinical pathways. The context domain was broken into three main categories: (i) receptive context (15 factors describing resources, affiliations/networks, formalized policies/practices, decision-making, receptiveness to change); (ii) team functioning (1 factor); and (iii) evaluation/feedback (5 factors). Within facilitation, two factors described facilitator roles and tasks and five captured skills and training. We mapped survey data onto PARiHS domains to identify factors that may be adapted to facilitate ASP uptake. Our model encompasses mostly mutable factors whose relationships with performance outcomes may be explored to optimize antimicrobial use. Our framework also provides an analytical model for determining whether leveraging existing organizational processes can potentially optimize ASP performance.

Λc→N form factors from lattice QCD and phenomenology of Λc→n ℓ+νℓ and Λc→p μ+μ- decays

NASA Astrophysics Data System (ADS)

Meinel, Stefan

2018-02-01

A lattice QCD determination of the Λc→N vector, axial vector, and tensor form factors is reported. The calculation was performed with 2 +1 flavors of domain-wall fermions at lattice spacings of a ≈0.11 and 0.085 fm and pion masses in the range 230 MeV ≲mπ≲350 MeV . The form factors are extrapolated to the continuum limit and the physical pion mass using modified z expansions. The rates of the charged-current decays Λc→n e+νe and Λc→n μ+νμ are predicted to be (0.405 ±0.01 6stat±0.02 0syst) |Vc d|2 ps-1 and (0.396 ±0.01 6stat±0.02 0syst) |Vc d|2 ps-1 , respectively. The phenomenology of the rare charm decay Λc→p μ+μ- is also studied. The differential branching fraction, the fraction of longitudinally polarized dimuons, and the forward-backward asymmetry are calculated in the standard model and in an illustrative new-physics scenario.

Monte Carlo simulations for the shielding of the future high-intensity accelerator facility FAIR at GSI.

PubMed

Radon, T; Gutermuth, F; Fehrenbacher, G

2005-01-01

The Gesellschaft für Schwerionenforschung (GSI) is planning a significant expansion of its accelerator facilities. Compared to the present GSI facility, a factor of 100 in primary beam intensities and up to a factor of 10,000 in secondary radioactive beam intensities are key technical goals of the proposal. The second branch of the so-called Facility for Antiproton and Ion Research (FAIR) is the production of antiprotons and their storage in rings and traps. The facility will provide beam energies a factor of approximately 15 higher than presently available at the GSI for all ions, from protons to uranium. The shielding design of the synchrotron SIS 100/300 is shown exemplarily by using Monte Carlo calculations with the FLUKA code. The experimental area serving the investigation of compressed baryonic matter is analysed in the same way. In addition, a dose comparison is made for an experimental area operated with medium energy heavy-ion beams. Here, Monte Carlo calculations are performed by using either heavy-ion primary particles or proton beams with intensities scaled by the mass number of the corresponding heavy-ion beam.

Single-Image Super-Resolution Based on Rational Fractal Interpolation.

PubMed

Zhang, Yunfeng; Fan, Qinglan; Bao, Fangxun; Liu, Yifang; Zhang, Caiming

2018-08-01

This paper presents a novel single-image super-resolution (SR) procedure, which upscales a given low-resolution (LR) input image to a high-resolution image while preserving the textural and structural information. First, we construct a new type of bivariate rational fractal interpolation model and investigate its analytical properties. This model has different forms of expression with various values of the scaling factors and shape parameters; thus, it can be employed to better describe image features than current interpolation schemes. Furthermore, this model combines the advantages of rational interpolation and fractal interpolation, and its effectiveness is validated through theoretical analysis. Second, we develop a single-image SR algorithm based on the proposed model. The LR input image is divided into texture and non-texture regions, and then, the image is interpolated according to the characteristics of the local structure. Specifically, in the texture region, the scaling factor calculation is the critical step. We present a method to accurately calculate scaling factors based on local fractal analysis. Extensive experiments and comparisons with the other state-of-the-art methods show that our algorithm achieves competitive performance, with finer details and sharper edges.

VINE-A NUMERICAL CODE FOR SIMULATING ASTROPHYSICAL SYSTEMS USING PARTICLES. II. IMPLEMENTATION AND PERFORMANCE CHARACTERISTICS

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

Nelson, Andrew F.; Wetzstein, M.; Naab, T.

2009-10-01

We continue our presentation of VINE. In this paper, we begin with a description of relevant architectural properties of the serial and shared memory parallel computers on which VINE is intended to run, and describe their influences on the design of the code itself. We continue with a detailed description of a number of optimizations made to the layout of the particle data in memory and to our implementation of a binary tree used to access that data for use in gravitational force calculations and searches for smoothed particle hydrodynamics (SPH) neighbor particles. We describe the modifications to the codemore » necessary to obtain forces efficiently from special purpose 'GRAPE' hardware, the interfaces required to allow transparent substitution of those forces in the code instead of those obtained from the tree, and the modifications necessary to use both tree and GRAPE together as a fused GRAPE/tree combination. We conclude with an extensive series of performance tests, which demonstrate that the code can be run efficiently and without modification in serial on small workstations or in parallel using the OpenMP compiler directives on large-scale, shared memory parallel machines. We analyze the effects of the code optimizations and estimate that they improve its overall performance by more than an order of magnitude over that obtained by many other tree codes. Scaled parallel performance of the gravity and SPH calculations, together the most costly components of most simulations, is nearly linear up to at least 120 processors on moderate sized test problems using the Origin 3000 architecture, and to the maximum machine sizes available to us on several other architectures. At similar accuracy, performance of VINE, used in GRAPE-tree mode, is approximately a factor 2 slower than that of VINE, used in host-only mode. Further optimizations of the GRAPE/host communications could improve the speed by as much as a factor of 3, but have not yet been implemented in VINE. Finally, we find that although parallel performance on small problems may reach a plateau beyond which more processors bring no additional speedup, performance never decreases, a factor important for running large simulations on many processors with individual time steps, where only a small fraction of the total particles require updates at any given moment.« less

Night shift work at specific age ranges and chronic disease risk factors

PubMed Central

Ramin, Cody; Devore, Elizabeth E; Wang, Weike; Pierre-Paul, Jeffrey; Wegrzyn, Lani R; Schernhammer, Eva S

2014-01-01

Objectives We examined the association of night shift work history and age when night shift work was performed with cancer and cardiovascular disease risk factors among 54 724 women in the Nurses' Health Study (NHS) II. Methods We calculated age-adjusted and socioeconomic status-adjusted means and percentages for cancer and cardiovascular risk factors in 2009 across categories of night shift work history. We used multivariable-adjusted logistic regression to estimate odds ratios (ORs) and 95% CIs for key risk factors among 54 724 participants (72% ever shift workers). We further examined these associations by age (20–25, 26–35, 36– 45 and 46+ years) at which shift work was performed. Results Ever night shift workers had increased odds of obesity (body mass index ≥30 kg/m2; OR=1.37, 95% CI 1.31 to 1.43); higher caffeine intake (≥131 mg/day; OR=1.16, 95% CI 1.12 to 1.22) and total calorie intake (≥1715 kcal/day; OR=1.09, 95% CI 1.04 to 1.13); current smoking (OR=1.30, 95% CI 1.19 to 1.42); and shorter sleep durations (≤7 h of sleep/day; OR=1.19, 95% CI 1.15 to 1.24) compared to never night shift workers. These estimates varied depending on age at which night work was performed, with a suggestion that night shift work before age 25 was associated with fewer risk factors compared to night shift work at older ages. Conclusions Our results indicate that night shift work may contribute to an adverse chronic disease risk profile, and that risk factors may vary depending on the age at which night shift work was performed. PMID:25261528

Steel Rack Connections: Identification of Most Influential Factors and a Comparison of Stiffness Design Methods

PubMed Central

Shah, S. N. R.; Sulong, N. H. Ramli; Shariati, Mahdi; Jumaat, M. Z.

2015-01-01

Steel pallet rack (SPR) beam-to-column connections (BCCs) are largely responsible to avoid the sway failure of frames in the down-aisle direction. The overall geometry of beam end connectors commercially used in SPR BCCs is different and does not allow a generalized analytic approach for all types of beam end connectors; however, identifying the effects of the configuration, profile and sizes of the connection components could be the suitable approach for the practical design engineers in order to predict the generalized behavior of any SPR BCC. This paper describes the experimental behavior of SPR BCCs tested using a double cantilever test set-up. Eight sets of specimens were identified based on the variation in column thickness, beam depth and number of tabs in the beam end connector in order to investigate the most influential factors affecting the connection performance. Four tests were repeatedly performed for each set to bring uniformity to the results taking the total number of tests to thirty-two. The moment-rotation (M-θ) behavior, load-strain relationship, major failure modes and the influence of selected parameters on connection performance were investigated. A comparative study to calculate the connection stiffness was carried out using the initial stiffness method, the slope to half-ultimate moment method and the equal area method. In order to find out the more appropriate method, the mean stiffness of all the tested connections and the variance in values of mean stiffness according to all three methods were calculated. The calculation of connection stiffness by means of the initial stiffness method is considered to overestimate the values when compared to the other two methods. The equal area method provided more consistent values of stiffness and lowest variance in the data set as compared to the other two methods. PMID:26452047

Sea quarks contribution to the nucleon magnetic moment and charge radius at the physical point

NASA Astrophysics Data System (ADS)

Sufian, Raza Sabbir; Yang, Yi-Bo; Liang, Jian; Draper, Terrence; Liu, Keh-Fei; χ QCD Collaboration

2017-12-01

We report a comprehensive analysis of the light and strange disconnected-sea quarks contribution to the nucleon magnetic moment, charge radius, and the electric and magnetic form factors. The lattice QCD calculation includes ensembles across several lattice volumes and lattice spacings with one of the ensembles at the physical pion mass. We adopt a model-independent extrapolation of the nucleon magnetic moment and the charge radius. We have performed a simultaneous chiral, infinite volume, and continuum extrapolation in a global fit to calculate results in the continuum limit. We find that the combined light and strange disconnected-sea quarks contribution to the nucleon magnetic moment is μM(DI )=-0.022 (11 )(09 ) μN and to the nucleon mean square charge radius is ⟨r2⟩E(DI ) =-0.019 (05 )(05 ) fm2 which is about 1 /3 of the difference between the ⟨rp2⟩E of electron-proton scattering and that of a muonic atom and so cannot be ignored in obtaining the proton charge radius in the lattice QCD calculation. The most important outcome of this lattice QCD calculation is that while the combined light-sea and strange quarks contribution to the nucleon magnetic moment is small at about 1%, a negative 2.5(9)% contribution to the proton mean square charge radius and a relatively larger positive 16.3(6.1)% contribution to the neutron mean square charge radius come from the sea quarks in the nucleon. For the first time, by performing global fits, we also give predictions of the light and strange disconnected-sea quarks contributions to the nucleon electric and magnetic form factors at the physical point and in the continuum and infinite volume limits in the momentum transfer range of 0 ≤Q2≤0.5 GeV2 .

Gauge invariance and kaon production in deep inelastic scattering at low scales

NASA Astrophysics Data System (ADS)

Guerrero, Juan V.; Accardi, Alberto

2018-06-01

This paper focuses on hadron mass effects in calculations of semi-inclusive kaon production in lepton-Deuteron deeply inelastic scattering at HERMES and COMPASS kinematics. In the collinear factorization framework, the corresponding cross section is shown to factorize, at leading order and leading twist, into products of parton distributions and fragmentation functions evaluated in terms of kaon- and nucleon-mass-dependent scaling variables, and to respect gauge invariance. It is found that hadron mass corrections for integrated kaon multiplicities sizeably reduce the apparent large discrepancy between measurements of K++K- multiplicities performed by the two collaborations, and fully reconcile their K+/K- ratios.

Next-to-leading order weighted Sivers asymmetry in semi-inclusive deep inelastic scattering: three-gluon correlator

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

Dai, Lingyun; Prokudin, Alexei; Kang, Zhong-Bo

2015-09-01

We study the three-gluon correlation function contribution to the Sivers asymmetry in semi-inclusive deep inelastic scattering. We first establish the matching between the usual twist-3 collinear factorization approach and transverse momentum dependent factorization formalism for the moderate transverse momentum region. We then derive the so-called coefficient functions used in the usual TMD evolution formalism. Finally, we perform the next-to-leading order calculation for the transverse-momentum-weighted spin-dependent differential cross section, from which we identify the QCD collinear evolution of the twist-3 Qiu-Sterman function: the off-diagonal contribution from the three-gluon correlation functions.

The method of impedance transformation for electromagnetic waves propagating in one-dimension plasma photonic crystal

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

Yao, Jingfeng; Yuan, Chengxun, E-mail: yuancx@hit.edu.cn, E-mail: zhouzx@hit.edu.cn; Gao, Ruilin

2016-08-15

This study focuses on the transmission of normal-incidence electromagnetic waves in one-dimensional plasma photonic crystals. Using the Maxwell's equations in a medium, a method that is based on the concept of impendence is employed to perform the simulation. The accuracy of the method was evaluated by simulating a one-layer plasma and conventional photonic crystal. In frequency-domain, the transmission and reflection coefficients in the unmagnetized plasma photonic crystal were calculated, and the influence factors on plasma photonic crystals including dielectric constants of dielectric, spatial period, filling factor, plasma frequency, and collision frequency were studied.

Proton Range Uncertainty Due to Bone Cement Injected Into the Vertebra in Radiation Therapy Planning

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

Lim, Young Kyung; Hwang, Ui-Jung; Shin, Dongho, E-mail: dongho@ncc.re.kr

2011-10-01

We wanted to evaluate the influence of bone cement on the proton range and to derive a conversion factor predicting the range shift by correcting distorted computed tomography (CT) data as a reference to determine whether the correction is needed. Two CT datasets were obtained with and without a bone cement disk placed in a water phantom. Treatment planning was performed on a set of uncorrected CT images with the bone cement disk, and the verification plan was applied to the same set of CT images with an effective CT number for the bone cement disk. The effective CT numbermore » was determined by measuring the actual proton range with the bone cement disk. The effects of CT number, thicknesses, and position of bone cement on the proton range were evaluated in the treatment planning system (TPS) to draw a conversion factor predicting the range shift by correcting the CT number of bone cement. The effective CT number of bone cement was 260 Hounsfield units (HU). The calculated proton range for native CT data was significantly shorter than the measured proton range. However, the calculated range for the corrected CT data with the effective CT number coincided exactly with the measured range. The conversion factor was 209.6 [HU . cm/mm] for bone cement and predicted the range shift by approximately correcting the CT number. We found that the heterogeneity of bone cement could cause incorrect proton ranges in treatment plans using CT images. With an effective CT number of bone cement derived from the proton range and relative stopping power, a more actual proton range could be calculated in the TPS. The conversion factor could predict the necessity for CT data correction with sufficient accuracy.« less

TH-CD-207B-06: Swank Factor of Segmented Scintillators in Multi-Slice CT Detectors: Pulse Height Spectra and Light Escape

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

Howansky, A; Peng, B; Lubinsky, A

Purpose: Pulse height spectra (PHS) have been used to determine the Swank factor of a scintillator by measuring fluctuations in its light output per x-ray interaction. The Swank factor and x-ray quantum efficiency of a scintillator define the upper limit to its imaging performance, i.e. DQE(0). The Swank factor below the K-edge is dominated by optical properties, i.e. variations in light escape efficiency from different depths of interaction, denoted e(z). These variations can be optimized to improve tradeoffs in x-ray absorption, light yield, and spatial resolution. This work develops a quantitative model for interpreting measured PHS, and estimating e(z) onmore » an absolute scale. The method is used to investigate segmented ceramic GOS scintillators used in multi-slice CT detectors. Methods: PHS of a ceramic GOS plate (1 mm thickness) and segmented GOS array (1.4 mm thick) were measured at 46 keV. Signal and noise propagation through x-ray conversion gain, light escape, detection by a photomultiplier tube and dynode amplification were modeled using a cascade of stochastic gain stages. PHS were calculated with these expressions and compared to measurements. Light escape parameters were varied until modeled PHS agreed with measurements. The resulting estimates of e(z) were used to calculate PHS without measurement noise to determine the inherent Swank factor. Results: The variation in e(z) was 67.2–89.7% in the plate and 40.2–70.8% in the segmented sample, corresponding to conversion gains of 28.6–38.1 keV{sup −1} and 17.1–30.1 keV{sup −1}, respectively. The inherent Swank factors of the plate and segmented sample were 0.99 and 0.95, respectively. Conclusion: The high light escape efficiency in the ceramic GOS samples yields high Swank factors and DQE(0) in CT applications. The PHS model allows the intrinsic optical properties of scintillators to be deduced from PHS measurements, thus it provides new insights for evaluating the imaging performance of segmented ceramic GOS scintillators.« less

Determination of small-field correction factors for cylindrical ionization chambers using a semiempirical method

NASA Astrophysics Data System (ADS)

Park, Kwangwoo; Bak, Jino; Park, Sungho; Choi, Wonhoon; Park, Suk Won

2016-02-01

A semiempirical method based on the averaging effect of the sensitive volumes of different air-filled ionization chambers (ICs) was employed to approximate the correction factors for beam quality produced from the difference in the sizes of the reference field and small fields. We measured the output factors using several cylindrical ICs and calculated the correction factors using a mathematical method similar to deconvolution; in the method, we modeled the variable and inhomogeneous energy fluence function within the chamber cavity. The parameters of the modeled function and the correction factors were determined by solving a developed system of equations as well as on the basis of the measurement data and the geometry of the chambers. Further, Monte Carlo (MC) computations were performed using the Monaco® treatment planning system to validate the proposed method. The determined correction factors (k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} ) were comparable to the values derived from the MC computations performed using Monaco®. For example, for a 6 MV photon beam and a field size of 1  ×  1 cm2, k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} was calculated to be 1.125 for a PTW 31010 chamber and 1.022 for a PTW 31016 chamber. On the other hand, the k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} values determined from the MC computations were 1.121 and 1.031, respectively; the difference between the proposed method and the MC computation is less than 2%. In addition, we determined the k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} values for PTW 30013, PTW 31010, PTW 31016, IBA FC23-C, and IBA CC13 chambers as well. We devised a method for determining k{{Q\\text{msr}},Q}{{f\\text{smf}}, {{f}\\text{ref}}} from both the measurement of the output factors and model-based mathematical computation. The proposed method can be useful in case the MC simulation would not be applicable for the clinical settings.

The influence of the waterjet propulsion system on the ships' energy consumption and emissions inventories.

PubMed

Durán-Grados, Vanesa; Mejías, Javier; Musina, Liliya; Moreno-Gutiérrez, Juan

2018-08-01

In this study we consider the problems associated with calculating ships' energy and emission inventories. Various related uncertainties are described in many similar studies published in the last decade, and applying to Europe, the USA and Canada. However, none of them have taken into account the performance of ships' propulsion systems. On the one hand, when a ship uses its propellers, there is no unanimous agreement on the equations used to calculate the main engines load factor and, on the other, the performance of waterjet propulsion systems (for which this variable depends on the speed of the ship) has not been taken into account in any previous studies. This paper proposes that the efficiency of the propulsion system should be included as a new parameter in the equation that defines the actual power delivered by a ship's main engines, as applied to calculate energy consumption and emissions in maritime transport. To highlight the influence of the propulsion system on calculated energy consumption and emissions, the bottom-up method has been applied using data from eight fast ferries operating across the Strait of Gibraltar over the course of one year. This study shows that the uncertainty about the efficiency of the propulsion system should be added as one more uncertainty in the energy and emission inventories for maritime transport as currently prepared. After comparing four methods for this calculation, the authors propose a new method for eight cases. For the calculation of the Main Engine's fuel oil consumption, differences up to 22% between some methods were obtained at low loads. Copyright © 2018 Elsevier B.V. All rights reserved.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid

NASA Astrophysics Data System (ADS)

Karabacak, M.; Kose, E.; Sas, E. B.; Kurt, M.; Asiri, A. M.; Atac, A.

2015-02-01

The spectroscopic (FT-IR, FT-Raman, 1H and 13C NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)2), 3FPBA) were submitted by using both experimental techniques and theoretical methods (quantum chemical calculations) in this work. The experimental infrared and Raman spectra were obtained in the region 4000-400 cm-1 and 3500-10 cm-1, respectively. The equilibrium geometry and vibrational spectra were calculated by using DFT (B3LYP) with 6-311++G(d,p) basis set. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. The total energy distributions (TED) of the vibrational modes were performed for the assignments of the title molecule by using scaled quantum mechanics (SQM) method. The NMR chemical shifts (1H and 13C) were recorded in DMSO solution. The 1H and 13C NMR spectra were computed by using the gauge-invariant atomic orbital (GIAO) method, showing a good agreement with the experimental ones. The last one UV-Vis absorption spectra were analyzed in two solvents (ethanol and water), saved in the range of 200-400 nm. In addition these, HOMO and LUMO energies, the excitation energies, density of states (DOS) diagrams, thermodynamical properties and molecular electrostatic potential surface (MEPs) were presented. Nonlinear optical (NLO) properties and thermodynamic features were performed. The experimental results are combined with the theoretical calculations using DFT calculations to fortification of the paper. At the end of this work, the results were proved our paper had been indispensable for the literature backing.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.

PubMed

Karabacak, M; Kose, E; Sas, E B; Kurt, M; Asiri, A M; Atac, A

2015-02-05

The spectroscopic (FT-IR, FT-Raman, (1)H and (13)C NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)2), 3FPBA) were submitted by using both experimental techniques and theoretical methods (quantum chemical calculations) in this work. The experimental infrared and Raman spectra were obtained in the region 4000-400 cm(-1) and 3500-10 cm(-1), respectively. The equilibrium geometry and vibrational spectra were calculated by using DFT (B3LYP) with 6-311++G(d,p) basis set. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. The total energy distributions (TED) of the vibrational modes were performed for the assignments of the title molecule by using scaled quantum mechanics (SQM) method. The NMR chemical shifts ((1)H and (13)C) were recorded in DMSO solution. The (1)H and (13)C NMR spectra were computed by using the gauge-invariant atomic orbital (GIAO) method, showing a good agreement with the experimental ones. The last one UV-Vis absorption spectra were analyzed in two solvents (ethanol and water), saved in the range of 200-400 nm. In addition these, HOMO and LUMO energies, the excitation energies, density of states (DOS) diagrams, thermodynamical properties and molecular electrostatic potential surface (MEPs) were presented. Nonlinear optical (NLO) properties and thermodynamic features were performed. The experimental results are combined with the theoretical calculations using DFT calculations to fortification of the paper. At the end of this work, the results were proved our paper had been indispensable for the literature backing. Copyright © 2014 Elsevier B.V. All rights reserved.

Dosimetric validation and clinical implementation of two 3D dose verification systems for quality assurance in volumetric‐modulated arc therapy techniques

PubMed Central

Pérez‐Vara, Consuelo

2015-01-01

A pretreatment quality assurance program for volumetric techniques should include redundant calculations and measurement‐based verifications. The patient‐specific quality assurance process must be based in clinically relevant metrics. The aim of this study was to show the commission, clinical implementation, and comparison of two systems that allow performing a 3D redundant dose calculation. In addition, one of them is capable of reconstructing the dose on patient anatomy from measurements taken with a 2D ion chamber array. Both systems were compared in terms of reference calibration data (absolute dose, output factors, percentage depth‐dose curves, and profiles). Results were in good agreement for absolute dose values (discrepancies were below 0.5%) and output factors (mean differences were below 1%). Maximum mean discrepancies were located between 10 and 20 cm of depth for PDDs (‐2.7%) and in the penumbra region for profiles (mean DTA of 1.5 mm). Validation of the systems was performed by comparing point‐dose measurements with values obtained by the two systems for static, dynamic fields from AAPM TG‐119 report, and 12 real VMAT plans for different anatomical sites (differences better than 1.2%). Comparisons between measurements taken with a 2D ion chamber array and results obtained by both systems for real VMAT plans were also performed (mean global gamma passing rates better than 87.0% and 97.9% for the 2%/2 mm and 3%/3 mm criteria). Clinical implementation of the systems was evaluated by comparing dose‐volume parameters for all TG‐119 tests and real VMAT plans with TPS values (mean differences were below 1%). In addition, comparisons between dose distributions calculated by TPS and those extracted by the two systems for real VMAT plans were also performed (mean global gamma passing rates better than 86.0% and 93.0% for the 2%/2 mm and 3%/3 mm criteria). The clinical use of both systems was successfully evaluated. PACS numbers: 87.56.Fc, 87.56.‐v, 87.55.dk, 87.55.Qr, 87.55.‐x, 07.57.Kp, 85.25.Pb PMID:26103189

Measured and Monte Carlo calculated k{sub Q} factors: Accuracy and comparison

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

Muir, B. R.; McEwen, M. R.; Rogers, D. W. O.

2011-08-15

Purpose: The journal Medical Physics recently published two papers that determine beam quality conversion factors, k{sub Q}, for large sets of ion chambers. In the first paper [McEwen Med. Phys. 37, 2179-2193 (2010)], k{sub Q} was determined experimentally, while the second paper [Muir and Rogers Med. Phys. 37, 5939-5950 (2010)] provides k{sub Q} factors calculated using Monte Carlo simulations. This work investigates a variety of additional consistency checks to verify the accuracy of the k{sub Q} factors determined in each publication and a comparison of the two data sets. Uncertainty introduced in calculated k{sub Q} factors by possible variation ofmore » W/e with beam energy is investigated further. Methods: The validity of the experimental set of k{sub Q} factors relies on the accuracy of the NE2571 reference chamber measurements to which k{sub Q} factors for all other ion chambers are correlated. The stability of NE2571 absorbed dose to water calibration coefficients is determined and comparison to other experimental k{sub Q} factors is analyzed. Reliability of Monte Carlo calculated k{sub Q} factors is assessed through comparison to other publications that provide Monte Carlo calculations of k{sub Q} as well as an analysis of the sleeve effect, the effect of cavity length and self-consistencies between graphite-walled Farmer-chambers. Comparison between the two data sets is given in terms of the percent difference between the k{sub Q} factors presented in both publications. Results: Monitoring of the absorbed dose calibration coefficients for the NE2571 chambers over a period of more than 15 yrs exhibit consistency at a level better than 0.1%. Agreement of the NE2571 k{sub Q} factors with a quadratic fit to all other experimental data from standards labs for the same chamber is observed within 0.3%. Monte Carlo calculated k{sub Q} factors are in good agreement with most other Monte Carlo calculated k{sub Q} factors. Expected results are observed for the sleeve effect and the effect of cavity length on k{sub Q}. The mean percent differences between experimental and Monte Carlo calculated k{sub Q} factors are -0.08, -0.07, and -0.23% for the Elekta 6, 10, and 25 MV nominal beam energies, respectively. An upper limit on the variation of W/e in photon beams from cobalt-60 to 25 MV is determined as 0.4% with 95% confidence. The combined uncertainty on Monte Carlo calculated k{sub Q} factors is reassessed and amounts to between 0.40 and 0.49% depending on the wall material of the chamber. Conclusions: Excellent agreement (mean percent difference of only 0.13% for the entire data set) between experimental and calculated k{sub Q} factors is observed. For some chambers, k{sub Q} is measured for only one chamber of each type--the level of agreement observed in this study would suggest that for those chambers the measured k{sub Q} values are generally representative of the chamber type.« less

About Separation of Hadron and Electromagnetic Cascades in the Pamela Calorimeter

NASA Astrophysics Data System (ADS)

Stozhkov, Yuri I.; Basili, A.; Bencardino, R.; Casolino, M.; de Pascale, M. P.; Furano, G.; Menicucci, A.; Minori, M.; Morselli, A.; Picozza, P.; Sparvoli, R.; Wischnewski, R.; Bakaldin, A.; Galper, A. M.; Koldashov, S. V.; Korotkov, M. G.; Mikhailov, V. V.; Voronov, S. A.; Yurkin, Y. T.; Adriani, O.; Bonechi, L.; Bongi, M.; Papini, P.; Ricciarini, S. B.; Spillantini, P.; Straulino, S.; Taccetti, F.; Vannuccini, E.; Castellini, G.; Boezio, M.; Bonvicini, M.; Mocchiutti, E.; Schiavon, P.; Vacchi, A.; Zampa, G.; Zampa, N.; Carlson, P.; Lund, J.; Lundquist, J.; Orsi, S.; Pearce, M.; Barbarino, G. C.; Campana, D.; Osteria, G.; Rossi, G.; Russo, S.; Boscherini, M.; Mennh, W.; Simonh, M.; Bongiorno, L.; Ricci, M.; Ambriola, M.; Bellotti, R.; Cafagna, F.; Circella, M.; de Marzo, C.; Giglietto, N.; Mirizzi, N.; Romita, M.; Spinelli, P.; Bogomolov, E.; Krutkov, S.; Vasiljev, G.; Bazilevskaya, G. A.; Kvashnin, A. N.; Logachev, V. I.; Makhmutov, V. S.; Maksumov, O. S.; Stozhkov, Yu. I.; Mitchell, J. W.; Streitmatter, R. E.; Stochaj, S. J.

Results of calibration of the PAMELA instrument at the CERN facilities are discussed. In September, 2003, the calibration of the Neutron Detector together with the Calorimeter was performed with the CERN beams of electrons and protons with energies of 20 - 180 GeV. The implementation of the Neutron Detector increases a rejection factor of hadrons from electrons about ten times. The results of calibration are in agreement with calculations.

A Study of Data Entry Keyboards: The 4 x 4 Keypad.

DTIC Science & Technology

1985-06-01

Touch-Tone is a registered trademark of Bell Telephone Laboratories, Inc. OThe 0S-3 Event Recorder is a registered trademark of...the standard of • the industry--the Touch-Tone® telephone with a key arrangement adopted after considerable research by human factors engineers at Bell ...calculator manufacturers, a series of * important studies was performed by Peininger (5) of the Bell Laboratories * to establish the keypad array for

TH-AB-201-09 [Medical Physics, Jun 2016, v. 43(6)

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

Mirzakhanian, L; Benmakhlouf, H; Seuntjens, J

2016-06-15

Purpose: To determine the k-(Q-msr,Q)^(f-msr,f-ref ) factor, introduced in the small field formalism for five common type chambers used in the calibration of Leksell Gamma-Knife Perfexion model over a range of different phantom electron densities. Methods: Five chamber types including Exradin-A16, A14SL, A14, A1SL and IBA-CC04 are modeled in EGSnrc and PENELOPE Monte Carlo codes using the blueprints provided by the manufacturers. The chambers are placed in a previously proposed water-filled phantom and four 16-cm diameter spherical phantoms made of liquid water, Solid Water, ABS and polystyrene. Dose to the cavity of the chambers and a small water volume aremore » calculated using EGSnrc/PENELOPE codes. The calculations are performed over a range of phantom electron densities for two chamber orientations. Using the calculated dose-ratio in reference and machine specific reference field, the k-(Q-msr,Q)^(f-msr,f-ref ) factor can be determined. Results: When chambers are placed along the symmetry axis of the collimator block (z-axis), the CC04 requires the smallest correction followed by A1SL and A16. However, when detectors are placed perpendicular to z-axis, A14SL needs the smallest and A16 the largest correction. Moreover, an increase in the phantom electron density results in a linear increase in the k-(Q-msr,Q)^(f-msr,f-ref ). Depending on the chambers, the agreement between this study and a previous study performed varies between 0.05–0.70% for liquid water, 0.07–0.85% for Solid Water and 0.00–0.60% for ABS phantoms. After applying the EGSnrc-calculated k-(Q-msr,Q)^(f-msr,f-ref ) factors for A16 to the previously measured dose-rates in liquid water, Solid Water and ABS normalized to the dose-rate measured with TG-21 protocol and ABS phantom, the dose-rate ratios are found to be 1.004±0.002, 0.996±0.002 and 0.998±0.002 (3σ) respectively. Conclusion: Knowing the electron density of the phantoms, the calculated k-(Q-msr,Q)^(f-msr,f-ref ) values in this work will enable users to apply the appropriate correction for their own specific phantom material. LM acknowledges partial support by the CREATE Medical Physics Research Training Network grant of the Natural Sciences and Engineering Research Council (Grant number: 432290)« less

Simple new risk score model for adult cardiac extracorporeal membrane oxygenation: simple cardiac ECMO score.

PubMed

Peigh, Graham; Cavarocchi, Nicholas; Keith, Scott W; Hirose, Hitoshi

2015-10-01

Although the use of cardiac extracorporeal membrane oxygenation (ECMO) is increasing in adult patients, the field lacks understanding of associated risk factors. While standard intensive care unit risk scores such as SAPS II (simplified acute physiology score II), SOFA (sequential organ failure assessment), and APACHE II (acute physiology and chronic health evaluation II), or disease-specific scores such as MELD (model for end-stage liver disease) and RIFLE (kidney risk, injury, failure, loss of function, ESRD) exist, they may not apply to adult cardiac ECMO patients as their risk factors differ from variables used in these scores. Between 2010 and 2014, 73 ECMOs were performed for cardiac support at our institution. Patient demographics and survival were retrospectively analyzed. A new easily calculated score for predicting ECMO mortality was created using identified risk factors from univariate and multivariate analyses, and model discrimination was compared with other scoring systems. Cardiac ECMO was performed on 73 patients (47 males and 26 females) with a mean age of 48 ± 14 y. Sixty-four percent of patients (47/73) survived ECMO support. Pre-ECMO SAPS II, SOFA, APACHE II, MELD, RIFLE, PRESERVE, and ECMOnet scores, were not correlated with survival. Univariate analysis of pre-ECMO risk factors demonstrated that increased lactate, renal dysfunction, and postcardiotomy cardiogenic shock were risk factors for death. Applying these data into a new simplified cardiac ECMO score (minimal risk = 0, maximal = 5) predicted patient survival. Survivors had a lower risk score (1.8 ± 1.2) versus the nonsurvivors (3.0 ± 0.99), P < 0.0001. Common intensive care unit or disease-specific risk scores calculated for cardiac ECMO patients did not correlate with ECMO survival, whereas a new simplified cardiac ECMO score provides survival predictability. Copyright © 2015 Elsevier Inc. All rights reserved.

46 CFR 401.400 - Calculation of pilotage units and determination of weighting factor.

Code of Federal Regulations, 2010 CFR

2010-10-01

... weighting factor. 401.400 Section 401.400 Shipping COAST GUARD (GREAT LAKES PILOTAGE), DEPARTMENT OF... § 401.400 Calculation of pilotage units and determination of weighting factor. The equivalent pilotage... meters) Pilot Unit=(Length×Breadth×Depth)/10,000 (measured in feet) (b) Weighting factor table: Range of...

NECAP 4.1: NASA's Energy Cost Analysis Program thermal response factor routine

NASA Astrophysics Data System (ADS)

Weise, M. R.

1982-08-01

A thermal response factor is described and calculation sequences and flowcharts for RESFAC2 are provided. RESFAC is used by NASA's (NECAP) to calculate hourly heat transfer coefficients (thermal response factors) for each unique delayed surface. NECAP uses these response factors to compute each spaces' hourly heat gain/loss.

77 FR 77160 - Self-Regulatory Organizations; Chicago Mercantile Exchange Inc.; Notice of Filing of Proposed...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-31

... Liquidity Factor of CME's CDS Margin Methodology December 21, 2012. Pursuant to Section 19(b)(1) of the.... * * * * * CME CDS Liquidity Margin Factor Calculation Methodology The Liquidity Factor will be calculated as the... Liquidity Factor using the current Gross Notional Function with the following modifications: (1) the...

Calculation of astrophysical S-factor and reaction rate in 12C(p, γ)13N reaction

NASA Astrophysics Data System (ADS)

Moghadasi, A.; Sadeghi, H.; Pourimani, R.

2018-02-01

The 12C(p, γ)13N reaction is the first process in the CNO cycle. Also it is a source of low-energy solar neutrinos in various neutrino experiments. Therefore, it is of high interest to gain data of the astrophysical S-factor in low energies. By applying Faddeev's method, we calculated wave functions for the bound state of 13N. Then the cross sections for resonance and non-resonance were calculated through using Breit-Wigner and direct capture cross section formulae, respectively. After that, we calculated the total S-factor and compared it with previous experimental data, revealing a good agreement altogether. Then, we extrapolated the S-factor in zero energy and the result was 1.32 ± 0.19 (keV.b). In the end, we calculated reaction rate and compared it with NACRE data.

Prise en compte d'un couplage fin neutronique-thermique dans les calculs d'assemblage pour les reacteurs a eau pressurisee

NASA Astrophysics Data System (ADS)

Greiner, Nathan

Core simulations for Pressurized Water Reactors (PWR) is insured by a set of computer codes which allows, under certain assumptions, to approximate the physical quantities of interest, such as the effective multiplication factor or the power or temperature distributions. The neutronics calculation scheme relies on three great steps : -- the production of an isotopic cross-sections library ; -- the production of a reactor database through the lattice calculation ; -- the full-core calculation. In the lattice calculation, in which Boltzmann's transport equation is solved over an assembly geometry, the temperature distribution is uniform and constant during irradiation. This represents a set of approximations since, on the one hand, the temperature distribution in the assembly is not uniform (strong temperature gradients in the fuel pins, discrepancies between the fuel pins) and on the other hand, irradiation causes the thermal properties of the pins to change, which modifies the temperature distribution. Our work aims at implementing and introducing a neutronics-thermomechanics coupling into the lattice calculation to finely discretize the temperature distribution and to study its effects. To perform the study, CEA (Commissariat a l'Energie Atomique et aux Energies Alternatives) lattice code APOLLO2 was used for neutronics and EDF (Electricite De France) code C3THER was used for the thermal calculations. We show very small effects of the pin-scaled coupling when comparing the use of a temperature profile with the use of an uniform temperature over UOX-type and MOX-type fuels. We next investigate the thermal feedback using an assembly-scaled coupling taking into account the presence of large water gaps on an UOX-type assembly at burnup 0. We show the very small impact on the calculation of the hot spot factor. Finally, the coupling is introduced into the isotopic depletion calculation and we show that reactivity and isotopic number densities deviations remain small albeit not negligible for UOX-type and MOX-type assemblies. The specific behavior of gadolinium-stuffed fuel pins in an UO2Gd2O 3-type assembly is highlighted.

Gyromagnetic ratios of excited states in 198Pt; measurements and interacting boson approximation model calculations

NASA Astrophysics Data System (ADS)

Stuchbery, A. E.; Ryan, C. G.; Bolotin, H. H.; Morrison, I.; Sie, S. H.

1981-07-01

The enhanced transient hyperfine field manifest at the nuclei of swiftly recoiling ions traversing magnetized ferromagnetic materials was utilized to measure the gyromagnetic ratios of the 2 +1, 2 +2 and 4 +1 states in 198Pt by the thin-foil technique. The states of interest were populated by Coulomb excitation using a beam of 220 MeV 58Ni ions. The results obtained were: g(2 +1) = 0.324 ± 0.026; g(2 +2) = 0.34 ± 0.06; g(4 +1) = 0.34 ± 0.06. In addition, these measurements served to discriminate between the otherwise essentially equally probable values previously reported for the E2/M1 ratio of the 2 +2 → 2 +1 transition in 198Pt. We also performed interacting boson approximation (IBA) model-based calculations in the O(6) limit symmetry, with and without inclusion of a small degree of symmetry breaking, and employed the M1 operator in both first- and second-order to obtain M1 selection rules and to calculate gyromagnetic ratios of levels. When O(6) symmetry is broken, there is a predicted departure from constancy of the g-factors which provides a good test of the nuclear wave function. Evaluative comparisons are made between these experimental and predicted g-factors.

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, and trimethylgermyl derivatives of 3,3-dimethylcyclopropene II. 3,3-Dimethyl-1,2-bis(trimethylsilyl)cyclopropene

NASA Astrophysics Data System (ADS)

Panchenko, Yu. N.; De Maré, G. R.; Abramenkov, A. V.; Baird, M. S.; Tverezovsky, V. V.; Nizovtsev, A. V.; Bolesov, I. G.

2003-07-01

The IR and Raman spectra of 3,3-dimethyl-1,2-bis(trimethylsilyl)cyclopropene (I) (synthesised using standard procedures) were measured in the liquid phase. Total geometry optimisation was performed at the HF/6-31G* level. The HF/6-31G*//HF/6-31G* quantum mechanical force field (QMFF) was calculated and used to determine the theoretical fundamental vibrational frequencies, their predicted IR intensities, Raman activities, and Raman depolarisation ratios. Using Pulay's scaling method and the theoretical molecular geometry, the QMFF of I was scaled by a set of scaling factors used previously for 3,3-dimethyl-1,2-bis(tert-butyl)cyclopropene (17 scale factors for a 105-dimensional problem). The scaled QMFF obtained was used to solve the vibrational problem. The quantum mechanical values of the Raman activities were converted to differential Raman cross sections. The figures for the experimental and theoretical Raman and IR spectra are presented. Assignments of the experimental vibrational spectra of I are given. They take into account the calculated potential energy distribution and the correlation between the estimations of the experimental IR and Raman intensities and Raman depolarisation ratios and the corresponding theoretical values (including Raman cross sections) calculated using the unscaled QMFF.

Cardiovascular Risk Reduction is Important for Improving Patient and Graft Survival After Ligation and Bypass Surgery for Popliteal Artery Aneurysm.

PubMed

Dattani, N; Ali, M; Aber, A; Kannan, R Yap; Choke, E C; Bown, M J; Sayers, R D; Davies, R S

2017-07-01

To report outcomes following ligation and bypass (LGB) surgery for popliteal artery aneurysm (PAA) and study factors influencing patient and graft survival. A retrospective review of patients undergoing LGB surgery for PAA between September 1999 and August 2012 at a tertiary referral vascular unit was performed. Primary graft patency (PGP), primary-assisted graft patency (PAGP), and secondary graft patency (SGP) rates were calculated using survival analyses. Patient, graft aneurysm-free survival (GAFS), aneurysm reperfusion-free survival (ARFS), and amputation-free survival (AFS) rates were also calculated. Log-rank testing and Cox proportional hazards modeling were used to perform univariate and multivariate analysis of influencing factors, respectively. Eighty-four LGB repairs in 69 patients (mean age 71.3 years, 68 males) were available for study. The 5-year PGP, PAGP, SGP, and patient survival rates were 58.1%, 84.4%, 85.2%, and 81.1%, respectively. On multivariate analysis, the principal determinants of PGP were urgency of operation ( P = .009) and smoking status ( P = .019). The principal determinants of PAGP were hyperlipidemia status ( P = .048) and of SGP were hyperlipidemia ( P = .042) and cerebrovascular disease (CVD) status ( P = .045). The principal determinants of patient survival were previous myocardial infarction ( P = .004) and CVD ( P = .001). The 5-year GAFS, ARFS, and AFS rates were 87.9%, 91.6%, and 96.1%, respectively. This study has shown that traditional cardiovascular risk factors, such as a smoking and ischemic heart disease, are the most important predictors of early graft failure and patient death following LGB surgery for PAA.

Calculated hydroxyl A2 sigma --> X2 pi (0, 0) band emission rate factors applicable to atmospheric spectroscopy

NASA Technical Reports Server (NTRS)

Cageao, R. P.; Ha, Y. L.; Jiang, Y.; Morgan, M. F.; Yung, Y. L.; Sander, S. P.

1997-01-01

A calculation of the A2 sigma --> X2 pi (0, 0) band emission rate factors and line center absorption cross sections of OH applicable to its measurement using solar resonant fluorescence in the terrestrial atmosphere is presented in this paper. The most accurate available line parameters have been used. Special consideration has been given to the solar input flux because of its highly structured Fraunhofer spectrum. The calculation for the OH atmospheric emission rate factor in the solar resonant fluorescent case is described in detail with examples and intermediate results. Results of this calculation of OH emission rate factors for individual rotational lines are on average 30% lower than the values obtained in an earlier work.

Air-kerma strength determination of a new directional (103)Pd source.

PubMed

Aima, Manik; Reed, Joshua L; DeWerd, Larry A; Culberson, Wesley S

2015-12-01

A new directional (103)Pd planar source array called a CivaSheet™ has been developed by CivaTech Oncology, Inc., for potential use in low-dose-rate (LDR) brachytherapy treatments. The array consists of multiple individual polymer capsules called CivaDots, containing (103)Pd and a gold shield that attenuates the radiation on one side, thus defining a hot and cold side. This novel source requires new methods to establish a source strength metric. The presence of gold material in such close proximity to the active (103)Pd region causes the source spectrum to be significantly different than the energy spectra of seeds normally used in LDR brachytherapy treatments. In this investigation, the authors perform air-kerma strength (S(K)) measurements, develop new correction factors for these measurements based on an experimentally verified energy spectrum, and test the robustness of transferring S(K) to a well-type ionization chamber. S(K) measurements were performed with the variable-aperture free-air chamber (VAFAC) at the University of Wisconsin Medical Radiation Research Center. Subsequent measurements were then performed in a well-type ionization chamber. To realize the quantity S(K) from a directional source with gold material present, new methods and correction factors were considered. Updated correction factors were calculated using the MCNP 6 Monte Carlo code in order to determine S(K) with the presence of gold fluorescent energy lines. In addition to S(K) measurements, a low-energy high-purity germanium (HPGe) detector was used to experimentally verify the calculated spectrum, a sodium iodide (NaI) scintillating counter was used to verify the azimuthal and polar anisotropy, and a well-type ionization chamber was used to test the feasibility of disseminating S(K) values for a directional source within a cylindrically symmetric measurement volume. The UW VAFAC was successfully used to measure the S(K) of four CivaDots with reproducibilities within 0.3%. Monte Carlo methods were used to calculate the UW VAFAC correction factors and the calculated spectrum emitted from a CivaDot was experimentally verified with HPGe detector measurements. The well-type ionization chamber showed minimal variation in response (<1.5%) as a function of source positioning angle, indicating that an American Association of Physicists in Medicine (AAPM) Accredited Dosimetry Calibration Laboratory calibrated well chamber would be a suitable device to transfer an S(K)-based calibration to a clinical user. S(K) per well-chamber ionization current ratios were consistent among the four dots measured. Additionally, the measurements and predictions of anisotropy show uniform emission within the solid angle of the VAFAC, which demonstrates the robustness of the S(K) measurement approach. This characterization of a new (103)Pd directional brachytherapy source helps to establish calibration methods that could ultimately be used in the well-established AAPM Task Group 43 formalism. Monte Carlo methods accurately predict the changes in the energy spectrum caused by the fluorescent x-rays produced in the gold shield.

Air-kerma strength determination of a new directional 103Pd source

PubMed Central

Reed, Joshua L.; DeWerd, Larry A.; Culberson, Wesley S.

2015-01-01

Purpose: A new directional 103Pd planar source array called a CivaSheet™ has been developed by CivaTech Oncology, Inc., for potential use in low-dose-rate (LDR) brachytherapy treatments. The array consists of multiple individual polymer capsules called CivaDots, containing 103Pd and a gold shield that attenuates the radiation on one side, thus defining a hot and cold side. This novel source requires new methods to establish a source strength metric. The presence of gold material in such close proximity to the active 103Pd region causes the source spectrum to be significantly different than the energy spectra of seeds normally used in LDR brachytherapy treatments. In this investigation, the authors perform air-kerma strength (SK) measurements, develop new correction factors for these measurements based on an experimentally verified energy spectrum, and test the robustness of transferring SK to a well-type ionization chamber. Methods: SK measurements were performed with the variable-aperture free-air chamber (VAFAC) at the University of Wisconsin Medical Radiation Research Center. Subsequent measurements were then performed in a well-type ionization chamber. To realize the quantity SK from a directional source with gold material present, new methods and correction factors were considered. Updated correction factors were calculated using the mcnp 6 Monte Carlo code in order to determine SK with the presence of gold fluorescent energy lines. In addition to SK measurements, a low-energy high-purity germanium (HPGe) detector was used to experimentally verify the calculated spectrum, a sodium iodide (NaI) scintillating counter was used to verify the azimuthal and polar anisotropy, and a well-type ionization chamber was used to test the feasibility of disseminating SK values for a directional source within a cylindrically symmetric measurement volume. Results: The UW VAFAC was successfully used to measure the SK of four CivaDots with reproducibilities within 0.3%. Monte Carlo methods were used to calculate the UW VAFAC correction factors and the calculated spectrum emitted from a CivaDot was experimentally verified with HPGe detector measurements. The well-type ionization chamber showed minimal variation in response (<1.5%) as a function of source positioning angle, indicating that an American Association of Physicists in Medicine (AAPM) Accredited Dosimetry Calibration Laboratory calibrated well chamber would be a suitable device to transfer an SK-based calibration to a clinical user. SK per well-chamber ionization current ratios were consistent among the four dots measured. Additionally, the measurements and predictions of anisotropy show uniform emission within the solid angle of the VAFAC, which demonstrates the robustness of the SK measurement approach. Conclusions: This characterization of a new 103Pd directional brachytherapy source helps to establish calibration methods that could ultimately be used in the well-established AAPM Task Group 43 formalism. Monte Carlo methods accurately predict the changes in the energy spectrum caused by the fluorescent x-rays produced in the gold shield. PMID:26632069

Kinetic analyses and pyrolytic behavior of Para grass (Urochloa mutica) for its bioenergy potential.

PubMed

Ahmad, Muhammad Sajjad; Mehmood, Muhammad Aamer; Al Ayed, Omar S; Ye, Guangbin; Luo, Huibo; Ibrahim, Muhammad; Rashid, Umer; Arbi Nehdi, Imededdine; Qadir, Ghulam

2017-01-01

The biomass of Urochloa mutica was subjected to thermal degradation analyses to understand its pyrolytic behavior for bioenergy production. Thermal degradation experiments were performed at three different heating rates, 10, 30 and 50°Cmin -1 using simultaneous thermogravimetric-differential scanning calorimetric analyzer, under an inert environment. The kinetic analyses were performed using isoconversional models of Kissenger-Akahira-Sunose (KAS) and Flynn-Wall-Ozawa (FWO). The high heating value was calculated as 15.04MJmol -1 . The activation energy (E) values were shown to be ranging from 103 through 233 kJmol -1 . Pre-exponential factors (A) indicated the reaction to follow first order kinetics. Gibbs free energy (ΔG) was measured to be ranging from 169 to 173kJmol -1 and 168 to 172kJmol -1 , calculated by KAS and FWO methods, respectively. We have shown that Para grass biomass has considerable bioenergy potential comparable to established bioenergy crops such as switchgrass and miscanthus. Copyright © 2016 Elsevier Ltd. All rights reserved.

First-principles studies on the equation-of-state, thermal-conductivity, and opacity of deuterium-tritium and polystyrene (CH) for inertial confinement fusion applications

DOE PAGES

Hu, Suxing; Collins, Lee A.; Goncharov, V. N.; ...

2016-05-26

Using first-principles (FP) methods, we have performed ab initio compute for the equation of state (EOS), thermal conductivity, and opacity of deuterium-tritium (DT) in a wide range of densities and temperatures for inertial confinement fusion (ICF) applications. These systematic investigations have recently been expanded to accurately compute the plasma properties of CH ablators under extreme conditions. In particular, the first-principles EOS and thermal-conductivity tables of CH are self-consistently built from such FP calculations, which are benchmarked by experimental measurements. When compared with the traditional models used for these plasma properties in hydrocodes, significant differences have been identified in the warmmore » dense plasma regime. When these FP-calculated properties of DT and CH were used in our hydrodynamic simulations of ICF implosions, we found that the target performance in terms of neutron yield and energy gain can vary by a factor of 2 to 3, relative to traditional model simulations.« less

Epidemiologic programs for computers and calculators. A microcomputer program for multiple logistic regression by unconditional and conditional maximum likelihood methods.

PubMed

Campos-Filho, N; Franco, E L

1989-02-01

A frequent procedure in matched case-control studies is to report results from the multivariate unmatched analyses if they do not differ substantially from the ones obtained after conditioning on the matching variables. Although conceptually simple, this rule requires that an extensive series of logistic regression models be evaluated by both the conditional and unconditional maximum likelihood methods. Most computer programs for logistic regression employ only one maximum likelihood method, which requires that the analyses be performed in separate steps. This paper describes a Pascal microcomputer (IBM PC) program that performs multiple logistic regression by both maximum likelihood estimation methods, which obviates the need for switching between programs to obtain relative risk estimates from both matched and unmatched analyses. The program calculates most standard statistics and allows factoring of categorical or continuous variables by two distinct methods of contrast. A built-in, descriptive statistics option allows the user to inspect the distribution of cases and controls across categories of any given variable.

Relative Velocity as a Metric for Probability of Collision Calculations

NASA Technical Reports Server (NTRS)

Frigm, Ryan Clayton; Rohrbaugh, Dave

2008-01-01

Collision risk assessment metrics, such as the probability of collision calculation, are based largely on assumptions about the interaction of two objects during their close approach. Specifically, the approach to probabilistic risk assessment can be performed more easily if the relative trajectories of the two close approach objects are assumed to be linear during the encounter. It is shown in this analysis that one factor in determining linearity is the relative velocity of the two encountering bodies, in that the assumption of linearity breaks down at low relative approach velocities. The first part of this analysis is the determination of the relative velocity threshold below which the assumption of linearity becomes invalid. The second part is a statistical study of conjunction interactions between representative asset spacecraft and the associated debris field environment to determine the likelihood of encountering a low relative velocity close approach. This analysis is performed for both the LEO and GEO orbit regimes. Both parts comment on the resulting effects to collision risk assessment operations.

Novel magnetic hollow zein nanoparticles for preconcentration of chlorpyrifos from water and soil samples prior to analysis via high-performance liquid chromatography (HPLC).

PubMed

Rahimi Moghadam, Mojtaba; Zargar, Behrooz; Rastegarzadeh, Saadat

2018-04-30

Herein, magnetically hollow zein nanoparticles were synthesized and used as a magnetic sorbent for the preconcentration of chlorpyrifos and its analysis by high-performance liquid chromatography (HPLC). Morphology of the sorbent was characterized by transmission electron microscopy (TEM). In this study, the effects of important parameters such as pH of the solution, adsorption and desorption time, type and volume of desorption solvent, and salt addition were investigated. Under optimized experimental conditions, the linear range was from 50 to 2000 μg mL-1, and an LOD of 25 μg L-1 was calculated. The relative standard deviations (RSD) varied from 3.8 to 5.1% (n = 5). The enrichment factors for 50 and 100 μg L-1 samples were calculated as 187 and 210, respectively. The developed method was successfully applied in soil and water samples and showed good extraction recoveries.

The effect of safety factor profile on transport in steady-state, high-performance scenarios

DOE PAGES

Holcomb, C. T.; Ferron, J. R.; Luce, T. C.; ...

2012-03-09

In this study, an analysis of the dependence of transport on the safety factor profile in high-performance, steady-state scenario discharges is presented. This is based on experimental scans of q 95 and q min taken with fixed β N, toroidal field, double-null plasma shape, divertor pumping, and electron cyclotron current drive input. The temperature and thermal diffusivity profiles were found to vary considerably with the q-profile, and these variations were significantly different for electrons and ions. With fixed q 95, both temperature profiles increase and broaden as q min is increased and the magnetic shear becomes low or negative inmore » the inner half radius, but these temperature profile changes are stronger for the electrons. Power balance calculations show the peak in the ion thermal diffusivity (χ i) at ρ – 0.6 – 0.8 increases with q 95 or q min.« less

Optimization and performance of the Robert Stobie Spectrograph Near-InfraRed detector system

NASA Astrophysics Data System (ADS)

Mosby, Gregory; Indahl, Briana; Eggen, Nathan; Wolf, Marsha; Hooper, Eric; Jaehnig, Kurt; Thielman, Don; Burse, Mahesh

2018-01-01

At the University of Wisconsin-Madison, we are building and testing the near-infrared (NIR) spectrograph for the Southern African Large Telescope-RSS-NIR. RSS-NIR will be an enclosed cooled integral field spectrograph. The RSS-NIR detector system uses a HAWAII-2RG (H2RG) HgCdTe detector from Teledyne controlled by the SIDECAR ASIC and an Inter-University Centre for Astronomy and Astrophysics (IUCCA) ISDEC card. We have successfully characterized and optimized the detector system and report on the optimization steps and performance of the system. We have reduced the CDS read noise to ˜20 e- for 200 kHz operation by optimizing ASIC settings. We show an additional factor of 3 reduction of read noise using Fowler sampling techniques and a factor of 2 reduction using up-the-ramp group sampling techniques. We also provide calculations to quantify the conditions for sky-limited observations using these sampling techniques.

Developing an Emergency Physician Productivity Index Using Descriptive Health Analytics.

PubMed

Khalifa, Mohamed

2015-01-01

Emergency department (ED) crowding became a major barrier to receiving timely emergency care. At King Faisal Specialist Hospital and Research Center, Saudi Arabia, we identified variables and factors affecting crowding and performance to develop indicators to help evaluation and improvement. Measuring efficiency of work and activity of throughput processes; it was important to develop an ED physician productivity index. Data on all ED patients' encounters over the last six months of 2014 were retrieved and descriptive health analytics methods were used. Three variables were identified for their influence on productivity and performance; Number of Treated Patients per Physician, Patient Acuity Level and Treatment Time. The study suggested a formula to calculate the productivity index of each physician through dividing the Number of Treated Patients by Patient Acuity Level squared and Treatment Time to identify physicians with low productivity index and investigate causes and factors.

Hypothesis Testing Using Factor Score Regression

PubMed Central

Devlieger, Ines; Mayer, Axel; Rosseel, Yves

2015-01-01

In this article, an overview is given of four methods to perform factor score regression (FSR), namely regression FSR, Bartlett FSR, the bias avoiding method of Skrondal and Laake, and the bias correcting method of Croon. The bias correcting method is extended to include a reliable standard error. The four methods are compared with each other and with structural equation modeling (SEM) by using analytic calculations and two Monte Carlo simulation studies to examine their finite sample characteristics. Several performance criteria are used, such as the bias using the unstandardized and standardized parameterization, efficiency, mean square error, standard error bias, type I error rate, and power. The results show that the bias correcting method, with the newly developed standard error, is the only suitable alternative for SEM. While it has a higher standard error bias than SEM, it has a comparable bias, efficiency, mean square error, power, and type I error rate. PMID:29795886

Pubertal Stage, Body Mass Index, and Cardiometabolic Risk in Children and Adolescents in Bogotá, Colombia: The Cross-Sectional Fuprecol Study

PubMed Central

Ramírez-Vélez, Robinson; García-Hermoso, Antonio; Agostinis-Sobrinho, Cesar; Mota, Jorge; Santos, Rute; Correa-Bautista, Jorge Enrique; Peña-Guzmán, Carlos Andrés; Domínguez-Sánchez, María Andrea; Schmidt-RioValle, Jacqueline; González-Jiménez, Emilio

2017-01-01

This study explored the association between pubertal stage and anthropometric and cardiometabolic risk factors in youth. A cross-sectional study was conducted in 2877 Colombian children and adolescents (9–17.9 years of age). Weight, height, and waist circumference were measured and body mass index (BMI) was calculated. A biochemical study was performed to determine the cardiometabolic risk index (CMRI). Blood pressure was evaluated and pubertal stage was assessed with the Tanner criteria. Hierarchical multiple regression analyses were performed. The most significant variable (p < 0.05) in the prognosis of cardiometabolic risk was found to be the BMI in both boys and girls. In the case of girls, the pubertal stage was also a CMRI predictive factor. In conclusion, BMI was an important indicator of cardiovascular risk in both sexes. Pubertal stage was associated with cardiovascular risk only in the girls. PMID:28640231

Pubertal Stage, Body Mass Index, and Cardiometabolic Risk in Children and Adolescents in Bogotá, Colombia: The Cross-Sectional Fuprecol Study.

PubMed

Ramírez-Vélez, Robinson; García-Hermoso, Antonio; Agostinis-Sobrinho, Cesar; Mota, Jorge; Santos, Rute; Correa-Bautista, Jorge Enrique; Peña-Guzmán, Carlos Andrés; Domínguez-Sánchez, María Andrea; Schmidt-RioValle, Jacqueline; González-Jiménez, Emilio

2017-06-22

This study explored the association between pubertal stage and anthropometric and cardiometabolic risk factors in youth. A cross-sectional study was conducted in 2877 Colombian children and adolescents (9-17.9 years of age). Weight, height, and waist circumference were measured and body mass index (BMI) was calculated. A biochemical study was performed to determine the cardiometabolic risk index (CMRI). Blood pressure was evaluated and pubertal stage was assessed with the Tanner criteria. Hierarchical multiple regression analyses were performed. The most significant variable ( p < 0.05) in the prognosis of cardiometabolic risk was found to be the BMI in both boys and girls. In the case of girls, the pubertal stage was also a CMRI predictive factor. In conclusion, BMI was an important indicator of cardiovascular risk in both sexes. Pubertal stage was associated with cardiovascular risk only in the girls.

Electromagnetic radiation from nuclear collisions at ultrarelativistic energies

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

Turbide, Simon; Gale, Charles; Frodermann, Evan

2008-02-15

The hot and dense strongly interacting matter created in collisions of heavy nuclei at RHIC energies is modeled with relativistic hydrodynamics, and the spectra of real and virtual photons produced at midrapidity in these events are calculated. Several different sources are considered, and their relative importance is compared. Specifically, we include jet fragmentation, jet-plasma interactions, the emission of radiation from the thermal medium and from primordial hard collisions. Our calculations consistently take into account jet energy loss, as evaluated in the AMY formalism. We obtain results for the spectra, the nuclear modification factor (R{sub AA}{sup {gamma}}), and the azimuthal anisotropymore » (v{sub 2}{sup {gamma}}) that agree with the photon measurements performed by the PHENIX Collaboration at RHIC.« less

Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids.

PubMed

Thummuru, Dhileep Nagi Reddy; Mallik, Bhabani S

2017-10-26

We performed classical molecular dynamics simulations to investigate the structure and dynamics of protic ionic liquids, 2-hydroxy ethylammonium acetate, ethylammonium hydroxyacetate, and 2-hydroxyethylammonium hydroxyacetate at ambient conditions. Structural properties such as density, radial distribution functions, spatial distribution functions, and structure factors have been calculated. Dynamic properties such as mean square displacements, as well as residence and hydrogen bond dynamics have also been calculated. Hydrogen bond lifetimes and residence times change with the addition of hydroxyl groups. We observe that when a hydroxyl group is present on the cation, dynamics become very slow and it forms a strong hydrogen bond with carboxylate oxygen atoms of the anion. The hydroxyl functionalized ILs show more dynamic diversity than structurally similar ILs.

A simple nonlocal damage model for predicting failure of notched laminates

NASA Technical Reports Server (NTRS)

Kennedy, T. C.; Nahan, M. F.

1995-01-01

The ability to predict failure loads in notched composite laminates is a requirement in a variety of structural design circumstances. A complicating factor is the development of a zone of damaged material around the notch tip. The objective of this study was to develop a computational technique that simulates progressive damage growth around a notch in a manner that allows the prediction of failure over a wide range of notch sizes. This was accomplished through the use of a relatively simple, nonlocal damage model that incorporates strain-softening. This model was implemented in a two-dimensional finite element program. Calculations were performed for two different laminates with various notch sizes under tensile loading, and the calculations were found to correlate well with experimental results.

Radiotherapy Monte Carlo simulation using cloud computing technology.

PubMed

Poole, C M; Cornelius, I; Trapp, J V; Langton, C M

2012-12-01

Cloud computing allows for vast computational resources to be leveraged quickly and easily in bursts as and when required. Here we describe a technique that allows for Monte Carlo radiotherapy dose calculations to be performed using GEANT4 and executed in the cloud, with relative simulation cost and completion time evaluated as a function of machine count. As expected, simulation completion time decreases as 1/n for n parallel machines, and relative simulation cost is found to be optimal where n is a factor of the total simulation time in hours. Using the technique, we demonstrate the potential usefulness of cloud computing as a solution for rapid Monte Carlo simulation for radiotherapy dose calculation without the need for dedicated local computer hardware as a proof of principal.

Rainfall thresholds for the initiation of shallow landslides in the Wiśnicz Foothills region (the Flysch Carpathians Mountain, Poland)

NASA Astrophysics Data System (ADS)

Demczuk, Piotr; Zydroń, Tymoteusz; Siłuch, Marcin

2017-04-01

Determination of the magnitude of the rainfall threshold is a complex task, as it depends on the properties of the engineering-geological formations deposited on slopes and lithological conditions; it is also a resultant of the intensity and duration of precipitation. Meteorological monitoring and knowledge of the geological structure and adequate engineering tools (models of the soil and rock substrate) can greatly contribute to identification of the magnitude of rainfall that can pose a threat to slope stability. Calculation programs, which include the physical description of changes in the stress state in the soil substrate, are widely used tools for assessment of the slope stability conditions. Such programs take into account only the impact of rainfall on slope stability conditions and disregard the role of other meteorological factors. Development of a model that would be able to estimate these values is difficult; hence, this paper presents an attempt to determine the impact of precipitation on slope stability of selected shallow landslide slopes located in the area of the Wiśnicz Foothills (Outer Carpathians, Poland) using physically-based model taking into account meteorological conditions. Firstly, based on the meteorological data from 2004-2013 calculations of slope stability were performed to verify the geotechnical parameters of the soils. The calculations also yielded the range of pore pressure changes in the analysed period of 2004-2013, which simultaneously facilitated determination of extreme slope stability conditions prevailing during the growing seasons in the analysed years. Further investigations were focused on determination of changes in slope stability induced in response to 120-day long rainfalls with increasing, constant, and decreasing intensities characterised by a 1-99% probability of occurrence. For the analysis, three systems of pore pressure distribution in the slope were employed. Two of them corresponded to the maximum and minimum soil wetness values at the beginning of the growing seasons in 2004-2013 (period between late March and late July, which substantially coincides with periods of intensification of mass movements in Polish Flysch Carpathians). The analyses were performed with the calculation modules of the GeoSlope Inc. package: - Vadose/W was used to determine the impact of meteorological conditions (temperature, humidity, wind speed, precipitation) on the pore pressure distribution in the slope, - Slope/W - calculations of slope stability. The stability calculations have confirmed that the rainfall threshold values are a function of many variables, primarily the hydraulic properties of slope covers and rock substratum, temporal distribution of precipitation, and wetness conditions (degree of slope cover saturation). The major mechanism of stability failure by the analysed slopes in the Wiśnicz Foothills is the saturation of slope covers. Given this mechanism, observations of the groundwater table can be an important factor in assessment of the susceptibility of slopes to mass movements, besides meteorological observations. It also seems that slope stability calculations can be an important tool for assessment of landslide hazards. Importantly, the calculations have to take into account not only precipitation data but also other meteorological factors, which have impact on the amount of water accumulated in slope covers.

On the physics of waves in the solar atmosphere: Wave heating and wind acceleration

NASA Technical Reports Server (NTRS)

Musielak, Z. E.

1992-01-01

In the area of solar physics, new calculations of the acoustic wave energy fluxes generated in the solar convective zone was performed. The original theory developed was corrected by including a new frequency factor describing temporal variations of the turbulent energy spectrum. We have modified the original Stein code by including this new frequency factor, and tested the code extensively. Another possible source of the mechanical energy generated in the solar convective zone is the excitation of magnetic flux tube waves which can carry energy along the tubes far away from the region. The problem as to how efficiently those waves are generated in the Sun was recently solved. The propagation of nonlinear magnetic tube waves in the solar atmosphere was calculated, and mode coupling, shock formation, and heating of the local medium was studied. The wave trapping problems and evaluation of critical frequencies for wave reflection in the solar atmosphere was studied. It was shown that the role played by Alfven waves in the wind accelerations and the coronal hole heating is dominant. Presently, we are performing calculations of wave energy fluxes generated in late-type dwarf stars and studying physical processes responsible for the heating of stellar chromospheres and coronae. In the area of physics of waves, a new analytical approach for studying linear Alfven waves in smoothly nonuniform media was recently developed. This approach is presently being extended to study the propagation of linear and nonlinear magnetohydrodynamic (MHD) waves in stratified, nonisothermal and solar atmosphere. The Lighthill theory of sound generation to nonisothermal media (with a special temperature distribution) was extended. Energy cascade by nonlinear MHD waves and possible chaos driven by these waves are presently considered.

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

DOE PAGES

Hong, A. J.; Li, L.; He, R.; ...

2016-03-07

The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half- Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k codemore » and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Tidoped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. Lastly, the present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.« less

DFT calculation and vibrational spectroscopic studies of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine

NASA Astrophysics Data System (ADS)

Premkumar, S.; Jawahar, A.; Mathavan, T.; Kumara Dhas, M.; Sathe, V. G.; Milton Franklin Benial, A.

2014-08-01

The molecular structure of 2-(tert-butoxycarbonyl (Boc) -amino)-5-bromopyridine (BABP) was optimized by the DFT/B3LYP method with 6-311G (d,p), 6-311++G (d,p) and cc-pVTZ basis sets using the Gaussian 09 program. The most stable optimized structure of the molecule was predicted by the DFT/B3LYP method with cc-pVTZ basis set. The vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals and thermodynamical parameters were calculated. These calculations were done at the ground state energy level of BABP without applying any constraint on the potential energy surface. The vibrational spectra were experimentally recorded using Fourier Transform-Infrared (FT-IR) and micro-Raman spectrometer. The computed vibrational frequencies were scaled by scale factors to yield a good agreement with observed experimental vibrational frequencies. The complete theoretically calculated and experimentally observed vibrational frequencies were assigned on the basis of Potential Energy Distribution (PED) calculation using the VEDA 4.0 program. The vibrational modes assignments were performed by using the animation option of GaussView 05 graphical interface for Gaussian program. The Mulliken atomic charge distribution was calculated for BABP molecule. The molecular reactivity and stability of BABP were also studied by frontier molecular orbitals (FMOs) analysis.

Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

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

Hong, A. J.; Li, L.; He, R.

The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half- Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k codemore » and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Tidoped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. Lastly, the present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.« less

Multi-Collinearity Based Model Selection for Landslide Susceptibility Mapping: A Case Study from Ulus District of Karabuk, Turkey

NASA Astrophysics Data System (ADS)

Sahin, E. K.; Colkesen, I., , Dr; Kavzoglu, T.

2017-12-01

Identification of localities prone to landslide areas plays an important role for emergency planning, disaster management and recovery planning. Due to its great importance for disaster management, producing accurate and up-to-date landslide susceptibility maps is essential for hazard mitigation purpose and regional planning. The main objective of the present study was to apply multi-collinearity based model selection approach for the production of a landslide susceptibility map of Ulus district of Karabuk, Turkey. It is a fact that data do not contain enough information to describe the problem under consideration when the factors are highly correlated with each other. In such cases, choosing a subset of the original features will often lead to better performance. This paper presents multi-collinearity based model selection approach to deal with the high correlation within the dataset. Two collinearity diagnostic factors (Tolerance (TOL) and the Variance Inflation Factor (VIF)) are commonly used to identify multi-collinearity. Values of VIF that exceed 10.0 and TOL values less than 1.0 are often regarded as indicating multi-collinearity. Five causative factors (slope length, curvature, plan curvature, profile curvature and topographical roughness index) were found highly correlated with each other among 15 factors available for the study area. As a result, the five correlated factors were removed from the model estimation, and performances of the models including the remaining 10 factors (aspect, drainage density, elevation, lithology, land use/land cover, NDVI, slope, sediment transport index, topographical position index and topographical wetness index) were evaluated using logistic regression. The performance of prediction model constructed with 10 factors was compared to that of 15-factor model. The prediction performance of two susceptibility maps was evaluated by overall accuracy and the area under the ROC curve (AUC) values. Results showed that overall accuracy and AUC was calculated as 77.15% and 96.62% respectively for the model with 10 selected factors whilst they were estimated as 73.45% and 89.45% respectively for the model with all factors. It is clear that the multi-collinearity based model outperformed the conventional model in the mapping of landslide susceptibility.

Automation and uncertainty analysis of a method for in-vivo range verification in particle therapy.

PubMed

Frey, K; Unholtz, D; Bauer, J; Debus, J; Min, C H; Bortfeld, T; Paganetti, H; Parodi, K

2014-10-07

We introduce the automation of the range difference calculation deduced from particle-irradiation induced β(+)-activity distributions with the so-called most-likely-shift approach, and evaluate its reliability via the monitoring of algorithm- and patient-specific uncertainty factors. The calculation of the range deviation is based on the minimization of the absolute profile differences in the distal part of two activity depth profiles shifted against each other. Depending on the workflow of positron emission tomography (PET)-based range verification, the two profiles under evaluation can correspond to measured and simulated distributions, or only measured data from different treatment sessions. In comparison to previous work, the proposed approach includes an automated identification of the distal region of interest for each pair of PET depth profiles and under consideration of the planned dose distribution, resulting in the optimal shift distance. Moreover, it introduces an estimate of uncertainty associated to the identified shift, which is then used as weighting factor to 'red flag' problematic large range differences. Furthermore, additional patient-specific uncertainty factors are calculated using available computed tomography (CT) data to support the range analysis. The performance of the new method for in-vivo treatment verification in the clinical routine is investigated with in-room PET images for proton therapy as well as with offline PET images for proton and carbon ion therapy. The comparison between measured PET activity distributions and predictions obtained by Monte Carlo simulations or measurements from previous treatment fractions is performed. For this purpose, a total of 15 patient datasets were analyzed, which were acquired at Massachusetts General Hospital and Heidelberg Ion-Beam Therapy Center with in-room PET and offline PET/CT scanners, respectively. Calculated range differences between the compared activity distributions are reported in a 2D map in beam-eye-view. In comparison to previously proposed approaches, the new most-likely-shift method shows more robust results for assessing in-vivo the range from strongly varying PET distributions caused by differing patient geometry, ion beam species, beam delivery techniques, PET imaging concepts and counting statistics. The additional visualization of the uncertainties and the dedicated weighting strategy contribute to the understanding of the reliability of observed range differences and the complexity in the prediction of activity distributions. The proposed method promises to offer a feasible technique for clinical routine of PET-based range verification.

Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory

NASA Astrophysics Data System (ADS)

Zahedifar, Maedeh; Kratzer, Peter

2018-01-01

Various ab initio approaches to the band structure of A NiSn and A CoSb half-Heusler compounds (A = Ti, Zr, Hf) are compared and their consequences for the prediction of thermoelectric properties are explored. Density functional theory with the generalized-gradient approximation (GGA), as well as the hybrid density functional HSE06 and ab initio many-body perturbation theory in the form of the G W0 approach, are employed. The G W0 calculations confirm the trend of a smaller band gap (0.75 to 1.05 eV) in A NiSn compared to the A CoSb compounds (1.13 to 1.44 eV) already expected from the GGA calculations. While in A NiSn materials the G W0 band gap is 20% to 50% larger than in HSE06, the fundamental gap of A CoSb materials is smaller in G W0 compared to HSE06. This is because G W0 , similar to PBE, locates the valence band maximum at the L point of the Brillouin zone, whereas it is at the Γ point in the HSE06 calculations. The differences are attributed to the observation that the relative positions of the d levels of the transition metal atoms vary among the different methods. Using the calculated band structures and scattering rates taking into account the band effective masses at the extrema, the Seebeck coefficients, thermoelectric power factors, and figures of merit Z T are predicted for all six half-Heusler compounds. Comparable performance is predicted for the n -type A NiSn materials, whereas clear differences are found for the p -type A CoSb materials. Using the most reliable G W0 electronic structure, ZrCoSb is predicted to be the most efficient material with a power factor of up to 0.07 W/(K2 m) at a temperature of 600 K. We find strong variations among the different ab initio methods not only in the prediction of the maximum power factor and Z T value of a given material, but also in comparing different materials to each other, in particular in the p -type thermoelectric materials. Thus we conclude that the most elaborate, but also most costly G W0 method is required to perform a reliable computational search for the optimum material.

Automation and uncertainty analysis of a method for in-vivo range verification in particle therapy

NASA Astrophysics Data System (ADS)

Frey, K.; Unholtz, D.; Bauer, J.; Debus, J.; Min, C. H.; Bortfeld, T.; Paganetti, H.; Parodi, K.

2014-10-01

We introduce the automation of the range difference calculation deduced from particle-irradiation induced β+-activity distributions with the so-called most-likely-shift approach, and evaluate its reliability via the monitoring of algorithm- and patient-specific uncertainty factors. The calculation of the range deviation is based on the minimization of the absolute profile differences in the distal part of two activity depth profiles shifted against each other. Depending on the workflow of positron emission tomography (PET)-based range verification, the two profiles under evaluation can correspond to measured and simulated distributions, or only measured data from different treatment sessions. In comparison to previous work, the proposed approach includes an automated identification of the distal region of interest for each pair of PET depth profiles and under consideration of the planned dose distribution, resulting in the optimal shift distance. Moreover, it introduces an estimate of uncertainty associated to the identified shift, which is then used as weighting factor to ‘red flag’ problematic large range differences. Furthermore, additional patient-specific uncertainty factors are calculated using available computed tomography (CT) data to support the range analysis. The performance of the new method for in-vivo treatment verification in the clinical routine is investigated with in-room PET images for proton therapy as well as with offline PET images for proton and carbon ion therapy. The comparison between measured PET activity distributions and predictions obtained by Monte Carlo simulations or measurements from previous treatment fractions is performed. For this purpose, a total of 15 patient datasets were analyzed, which were acquired at Massachusetts General Hospital and Heidelberg Ion-Beam Therapy Center with in-room PET and offline PET/CT scanners, respectively. Calculated range differences between the compared activity distributions are reported in a 2D map in beam-eye-view. In comparison to previously proposed approaches, the new most-likely-shift method shows more robust results for assessing in-vivo the range from strongly varying PET distributions caused by differing patient geometry, ion beam species, beam delivery techniques, PET imaging concepts and counting statistics. The additional visualization of the uncertainties and the dedicated weighting strategy contribute to the understanding of the reliability of observed range differences and the complexity in the prediction of activity distributions. The proposed method promises to offer a feasible technique for clinical routine of PET-based range verification.

Aspects of baryon structure in lattice QCD

NASA Astrophysics Data System (ADS)

Babich, Ronald

Despite the long success of Quantum Chromodynamics (QCD) as the theory of the strong interactions, there remains much to be understood about the structure of hadrons and the consequences of QCD in the nonperturbative regime. Lattice gauge theory, a framework nearly as old as QCD itself, makes calculations in this regime possible, starting from first principles. With advances in theoretical understanding, methods, and computer technology, the lattice has found application to an ever-widening range of problems. In this dissertation, I consider two such problems having to do with the structure of baryons. The first concerns the contribution of sea quarks, and the strange quark in particular, to form factors of the nucleon. This has been a long-standing challenge for the lattice, because such contributions involve the insertion of a current on a quark loop, demanding the full inversion of the discretized Dirac operator, conceptually a large sparse matrix. I discuss methods for addressing this challenge and present a calculation of the strange scalar form factor and the related parameter fTs. The latter is of great theoretical interest, since it enters into the cross section for the scattering of dark matter off nuclei in supersymmetric extensions of the standard model. As such, it represents a major uncertainty in the interpretation of direct detection experiments. I also present results for the strange quark contribution to the nucleon's axial and electromagnetic form factors, which are themselves the subject of active experimental programs. These calculations were performed using the Wilson fermion formulation on a 243 x 64 anisotropic lattice. In the second part of the dissertation, I turn to the valence sector and address the role of diquark correlations in the observed spectrum of hadrons and their properties. A diquark is a correlated pair of quarks, thought to play an important role in certain phenomenological models of hadrons. I present results for baryon wave functions, evaluated in both the Coulomb and Landau gauges. By comparing baryons that differ in their diquark content, I find evidence for enhanced correlation in the scalar diquark channel, as favored by QCD-inspired quark models. I also present results for diquark mass splittings, determined from diquark correlators in the Landau gauge. This second set of calculations was performed with the overlap Dirac operator on quenched gauge configurations at beta = 6.

SU-D-BRD-01: Cloud-Based Radiation Treatment Planning: Performance Evaluation of Dose Calculation and Plan Optimization

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

Na, Y; Kapp, D; Kim, Y

2014-06-01

Purpose: To report the first experience on the development of a cloud-based treatment planning system and investigate the performance improvement of dose calculation and treatment plan optimization of the cloud computing platform. Methods: A cloud computing-based radiation treatment planning system (cc-TPS) was developed for clinical treatment planning. Three de-identified clinical head and neck, lung, and prostate cases were used to evaluate the cloud computing platform. The de-identified clinical data were encrypted with 256-bit Advanced Encryption Standard (AES) algorithm. VMAT and IMRT plans were generated for the three de-identified clinical cases to determine the quality of the treatment plans and computationalmore » efficiency. All plans generated from the cc-TPS were compared to those obtained with the PC-based TPS (pc-TPS). The performance evaluation of the cc-TPS was quantified as the speedup factors for Monte Carlo (MC) dose calculations and large-scale plan optimizations, as well as the performance ratios (PRs) of the amount of performance improvement compared to the pc-TPS. Results: Speedup factors were improved up to 14.0-fold dependent on the clinical cases and plan types. The computation times for VMAT and IMRT plans with the cc-TPS were reduced by 91.1% and 89.4%, respectively, on average of the clinical cases compared to those with pc-TPS. The PRs were mostly better for VMAT plans (1.0 ≤ PRs ≤ 10.6 for the head and neck case, 1.2 ≤ PRs ≤ 13.3 for lung case, and 1.0 ≤ PRs ≤ 10.3 for prostate cancer cases) than for IMRT plans. The isodose curves of plans on both cc-TPS and pc-TPS were identical for each of the clinical cases. Conclusion: A cloud-based treatment planning has been setup and our results demonstrate the computation efficiency of treatment planning with the cc-TPS can be dramatically improved while maintaining the same plan quality to that obtained with the pc-TPS. This work was supported in part by the National Cancer Institute (1R01 CA133474) and by Leading Foreign Research Institute Recruitment Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (MSIP) (Grant No.2009-00420)« less

Determining the nuclear data uncertainty on MONK10 and WIMS10 criticality calculations

NASA Astrophysics Data System (ADS)

Ware, Tim; Dobson, Geoff; Hanlon, David; Hiles, Richard; Mason, Robert; Perry, Ray

2017-09-01

The ANSWERS Software Service is developing a number of techniques to better understand and quantify uncertainty on calculations of the neutron multiplication factor, k-effective, in nuclear fuel and other systems containing fissile material. The uncertainty on the calculated k-effective arises from a number of sources, including nuclear data uncertainties, manufacturing tolerances, modelling approximations and, for Monte Carlo simulation, stochastic uncertainty. For determining the uncertainties due to nuclear data, a set of application libraries have been generated for use with the MONK10 Monte Carlo and the WIMS10 deterministic criticality and reactor physics codes. This paper overviews the generation of these nuclear data libraries by Latin hypercube sampling of JEFF-3.1.2 evaluated data based upon a library of covariance data taken from JEFF, ENDF/B, JENDL and TENDL evaluations. Criticality calculations have been performed with MONK10 and WIMS10 using these sampled libraries for a number of benchmark models of fissile systems. Results are presented which show the uncertainty on k-effective for these systems arising from the uncertainty on the input nuclear data.

New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations.

PubMed

Fleming, Kelly L; Tiwary, Pratyush; Pfaendtner, Jim

2016-01-21

Herein, we demonstrate a convenient approach to systematically investigate chemical reaction dynamics using the metadynamics (MetaD) family of enhanced sampling methods. Using a symmetric SN2 reaction as a model system, we applied infrequent metadynamics, a theoretical framework based on acceleration factors, to quantitatively estimate the rate of reaction from biased and unbiased simulations. A systematic study of the algorithm and its application to chemical reactions was performed by sampling over 5000 independent reaction events. Additionally, we quantitatively reweighed exhaustive free-energy calculations to obtain the reaction potential-energy surface and showed that infrequent metadynamics works to effectively determine Arrhenius-like activation energies. Exact agreement with unbiased high-temperature kinetics is also shown. The feasibility of using the approach on actual ab initio molecular dynamics calculations is then presented by using Car-Parrinello MD+MetaD to sample the same reaction using only 10-20 calculations of the rare event. Owing to the ease of use and comparatively low-cost of computation, the approach has extensive potential applications for catalysis, combustion, pyrolysis, and enzymology.

Determination of the NPP Kr\\vsko spent fuel decay heat

NASA Astrophysics Data System (ADS)

Kromar, Marjan; Kurinčič, Bojan

2017-07-01

Nuclear fuel is designed to support fission process in a reactor core. Some of the isotopes, formed during the fission, decay and produce decay heat and radiation. Accurate knowledge of the nuclide inventory producing decay heat is important after reactor shut down, during the fuel storage and subsequent reprocessing or disposal. In this paper possibility to calculate the fuel isotopic composition and determination of the fuel decay heat with the Serpent code is investigated. Serpent is a well-known Monte Carlo code used primarily for the calculation of the neutron transport in a reactor. It has been validated for the burn-up calculations. In the calculation of the fuel decay heat different set of isotopes is important than in the neutron transport case. Comparison with the Origen code is performed to verify that the Serpent is taking into account all isotopes important to assess the fuel decay heat. After the code validation, a sensitivity study is carried out. Influence of several factors such as enrichment, fuel temperature, moderator temperature (density), soluble boron concentration, average power, burnable absorbers, and burnup is analyzed.

Head rice rate measurement based on concave point matching

PubMed Central

Yao, Yuan; Wu, Wei; Yang, Tianle; Liu, Tao; Chen, Wen; Chen, Chen; Li, Rui; Zhou, Tong; Sun, Chengming; Zhou, Yue; Li, Xinlu

2017-01-01

Head rice rate is an important factor affecting rice quality. In this study, an inflection point detection-based technology was applied to measure the head rice rate by combining a vibrator and a conveyor belt for bulk grain image acquisition. The edge center mode proportion method (ECMP) was applied for concave points matching in which concave matching and separation was performed with collaborative constraint conditions followed by rice length calculation with a minimum enclosing rectangle (MER) to identify the head rice. Finally, the head rice rate was calculated using the sum area of head rice to the overall coverage of rice. Results showed that bulk grain image acquisition can be realized with test equipment, and the accuracy rate of separation of both indica rice and japonica rice exceeded 95%. An increase in the number of rice did not significantly affect ECMP and MER. High accuracy can be ensured with MER to calculate head rice rate by narrowing down its relative error between real values less than 3%. The test results show that the method is reliable as a reference for head rice rate calculation studies. PMID:28128315

Wavelets in electronic structure calculations

NASA Astrophysics Data System (ADS)

Modisette, Jason Perry

1997-09-01

Ab initio calculations of the electronic structure of bulk materials and large clusters are not possible on today's computers using current techniques. The storage and diagonalization of the Hamiltonian matrix are the limiting factors in both memory and execution time. The scaling of both quantities with problem size can be reduced by using approximate diagonalization or direct minimization of the total energy with respect to the density matrix in conjunction with a localized basis. Wavelet basis members are much more localized than conventional bases such as Gaussians or numerical atomic orbitals. This localization leads to sparse matrices of the operators that arise in SCF multi-electron calculations. We have investigated the construction of the one-electron Hamiltonian, and also the effective one- electron Hamiltonians that appear in density-functional and Hartree-Fock theories. We develop efficient methods for the generation of the kinetic energy and potential matrices, the Hartree and exchange potentials, and the local exchange-correlation potential of the LDA. Test calculations are performed on one-electron problems with a variety of potentials in one and three dimensions.

Explicit finite-volume time-marching calculations of total temperature distributions in turbulent flow

NASA Technical Reports Server (NTRS)

Nicholson, Stephen; Moore, Joan G.; Moore, John

1987-01-01

A method was developed which calculates two-dimensional, transonic, viscous flow in ducts. The finite volume, time-marching formulation is used to obtain steady flow solutions of the Reynolds-averaged form of the Navier-Stokes equations. The entire calculation is performed in the physical domain. This paper investigates the introduction of a new formulation of the energy equation which gives improved transient behavior as the calculation converges. The effect of variable Prandtl number on the temperature distribution through the boundary layer is also investigated. A turbulent boundary layer in an adverse pressure gradient (M = 0.55) is used to demonstrate the improved transient temperature distribution obtained when the new formulation of the energy equation is used. A flat plate turbulent boundary layer with a supersonic free-stream Mach number of 2.8 is used to investigate the effect of Prandtl number on the distribution of properties through the boundary layer. The computed total temperature distribution and recovery factor agree well with the measurements when a variable Prandtl number is used through the boundary layer.

Explicit finite-volume time-marching calculations of total temperature distributions in turbulent flow

NASA Technical Reports Server (NTRS)

Nicholson, Stephen; Moore, Joan G.; Moore, John

1986-01-01

A method was developed which calculates two-dimensional, transonic, viscous flow in ducts. The finite volume, time-marching formulation is used to obtain steady flow solutions of the Reynolds-averaged form of the Navier-Stokes equations. The entire calculation is performed in the physical domain. This paper investigates the introduction of a new formulation of the energy equation which gives improved transient behavior as the calculation converges. The effect of variable Prandtl number on the temperature distribution through the boundary layer is also investigated. A turbulent boundary layer in an adverse pressure gradient (M = 0.55) is used to demonstrate the improved transient temperature distribution obtained when the new formulation of the energy equation is used. A flat plate turbulent boundary layer with a supersonic free-stream Mach number of 2.8 is used to investigate the effect of Prandtl number on the distribution of properties through the boundary layer. The computed total temperature distribution and recovery factor agree well with the measurements when a variable Prandtl number is used through the boundary layer.

Oily wastewater treatment by ultrafiltration using Taguchi experimental design.

PubMed

Salahi, A; Mohammadi, T

2011-01-01

In this research, results of an experimental investigation on separation of oil from a real oily wastewater using an ultrafiltration (UF) polymeric membrane are presented. In order to enhance the performance of UF in API separator effluent treatment and to get more permeation flux (PF), effects of operating factors on the yield of PF were studied. Five factors at four levels were investigated: trans-membrane pressure (TMP), temperature (T), cross flow velocity (CFV), pH and salt concentration (SC). Taguchi method (L(16) orthogonal array (OA)) was used. Analysis of variance (ANOVA) was applied to calculate sum of square, variance, error variance and contribution percentage of each factor on response. The optimal levels thus determined for the four influential factors were: TMP, 3 bar; T, 40˚C; CFV, 1.0 m/s; SC, 25 g/L and pH, 8. The results showed that CFV and SC are the most and the least effective factors on PF, respectively. Increasing CFV, TMP, T and pH caused the better performance of UF membrane process due to enhancement of driving force and fouling residence. Also, effects of oil concentration (OC) in the wastewater on PF and total organic carbon (TOC) rejection were investigated. Finally, the highest TOC rejection was found to be 85%.

Hospital performance measures and 30-day readmission rates.

PubMed

Stefan, Mihaela S; Pekow, Penelope S; Nsa, Wato; Priya, Aruna; Miller, Lauren E; Bratzler, Dale W; Rothberg, Michael B; Goldberg, Robert J; Baus, Kristie; Lindenauer, Peter K

2013-03-01

Lowering hospital readmission rates has become a primary target for the Centers for Medicare & Medicaid Services, but studies of the relationship between adherence to the recommended hospital care processes and readmission rates have provided inconsistent and inconclusive results. To examine the association between hospital performance on Medicare's Hospital Compare process quality measures and 30-day readmission rates for patients with acute myocardial infarction (AMI), heart failure and pneumonia, and for those undergoing major surgery. We assessed hospital performance on process measures using the 2007 Hospital Inpatient Quality Reporting Program. The process measures for each condition were aggregated in two separate measures: Overall Measure (OM) and Appropriate Care Measure (ACM) scores. Readmission rates were calculated using Medicare claims. Risk-standardized 30-day all-cause readmission rate was calculated as the ratio of predicted to expected rate standardized by the overall mean readmission rate. We calculated predicted readmission rate using hierarchical generalized linear models and adjusting for patient-level factors. Among patients aged ≥ 66 years, the median OM score ranged from 79.4 % for abdominal surgery to 95.7 % for AMI, and the median ACM scores ranged from 45.8 % for abdominal surgery to 87.9 % for AMI. We observed a statistically significant, but weak, correlation between performance scores and readmission rates for pneumonia (correlation coefficient R = 0.07), AMI (R = 0.10), and orthopedic surgery (R = 0.06). The difference in the mean readmission rate between hospitals in the 1st and 4th quartiles of process measure performance was statistically significant only for AMI (0.25 percentage points) and pneumonia (0.31 percentage points). Performance on process measures explained less than 1 % of hospital-level variation in readmission rates. Hospitals with greater adherence to recommended care processes did not achieve meaningfully better 30-day hospital readmission rates compared to those with lower levels of performance.

The concerted calculation of the BN-600 reactor for the deterministic and stochastic codes

NASA Astrophysics Data System (ADS)

Bogdanova, E. V.; Kuznetsov, A. N.

2017-01-01

The solution of the problem of increasing the safety of nuclear power plants implies the existence of complete and reliable information about the processes occurring in the core of a working reactor. Nowadays the Monte-Carlo method is the most general-purpose method used to calculate the neutron-physical characteristic of the reactor. But it is characterized by large time of calculation. Therefore, it may be useful to carry out coupled calculations with stochastic and deterministic codes. This article presents the results of research for possibility of combining stochastic and deterministic algorithms in calculation the reactor BN-600. This is only one part of the work, which was carried out in the framework of the graduation project at the NRC “Kurchatov Institute” in cooperation with S. S. Gorodkov and M. A. Kalugin. It is considering the 2-D layer of the BN-600 reactor core from the international benchmark test, published in the report IAEA-TECDOC-1623. Calculations of the reactor were performed with MCU code and then with a standard operative diffusion algorithm with constants taken from the Monte - Carlo computation. Macro cross-section, diffusion coefficients, the effective multiplication factor and the distribution of neutron flux and power were obtained in 15 energy groups. The reasonable agreement between stochastic and deterministic calculations of the BN-600 is observed.

Neutron density profile in the lunar subsurface produced by galactic cosmic rays

NASA Astrophysics Data System (ADS)

Ota, Shuya; Sihver, Lembit; Kobayashi, Shingo; Hasebe, Nobuyuki

Neutron production by galactic cosmic rays (GCR) in the lunar subsurface is very important when performing lunar and planetary nuclear spectroscopy and space dosimetry. Further im-provements to estimate the production with increased accuracy is therefore required. GCR, which is a main contributor to the neutron production in the lunar subsurface, consists of not only protons but also of heavy components such as He, C, N, O, and Fe. Because of that, it is important to precisely estimate the neutron production from such components for the lunar spectroscopy and space dosimetry. Therefore, the neutron production from GCR particles in-cluding heavy components in the lunar subsurface was simulated with the Particle and Heavy ion Transport code System (PHITS), using several heavy ion interaction models. This work presents PHITS simulations of the neutron density as a function of depth (neutron density profile) in the lunar subsurface and the results are compared with experimental data obtained by Apollo 17 Lunar Neutron Probe Experiment (LNPE). From our previous study, it has been found that the accuracy of the proton-induced neutron production models is the most influen-tial factor when performing precise calculations of neutron production in the lunar subsurface. Therefore, a benchmarking of proton-induced neutron production models against experimental data was performed to estimate and improve the precision of the calculations. It was found that the calculated neutron production using the best model of Cugnon Old (E < 3 GeV) and JAM (E > 3 GeV) gave up to 30% higher values than experimental results. Therefore, a high energy nuclear data file (JENDL-HE) was used instead of the Cugnon Old model at the energies below 3 GeV. Then, the calculated neutron density profile successfully reproduced the experimental data from LNPE within experimental errors of 15% (measurement) + 30% (systematic). In this presentation, we summarize and discuss our calculated results of neutron production in the lunar subsurface.

Parametric Methods for Determining the Characteristics of Long-Term Metal Strength

NASA Astrophysics Data System (ADS)

Nikitin, V. I.; Rybnikov, A. I.

2018-06-01

A large number of parametric methods were proposed to calculate the characteristics of the long-term strength of metals. All of them are based on the fact that temperature and time are mutually compensating factors in the processes of metal degradation at high temperature under the action of a constant stress. The analysis of the well-known Larson-Miller, Dorn-Shcherby, Menson-Haferd, Graham-Wallace, and Trunin parametric equations is performed. The widely used Larson-Miller parameter was subjected to a detailed analysis. The application of this parameter to the calculation of ultimate long-term strength for steels and alloys is substantiated provided that the laws of exponential dependence on temperature and power dependence on strength for the heat resistance are observed. It is established that the coefficient C in the Larson- Miller equation is a characteristic of the heat resistance and is different for each material. Therefore, the use of a universal constant C = 20 in parametric calculations, as well as an a priori presetting of numerical C values for each individual group of materials, is unacceptable. It is shown in what manner it is possible to determine an exact value of coefficient C for any material of interest as well as to obtain coefficient C depending on stress in case such a dependence is manifested. At present, the calculation of long-term strength characteristics can be performed to a sufficient accuracy using Larson-Miller's parameter and its refinements described therein as well as on the condition that a linear law in logσ- P dependence is observed and calculations in the interpolation range is performed. The use of the presented recommendations makes it possible to obtain a linear parametric logσ- P dependence, which makes it possible to determine to a sufficient accuracy the values of ultimate long-term strength for different materials.

The interdependence of profile drag and lift with Joukowski type and related airfoils

NASA Technical Reports Server (NTRS)

Muttray, H

1935-01-01

On the basis of a systematic investigation of Gottingen wind-tunnel data on Joukowski type and related airfoils, it is shown in what manner the profile drag coefficient is dependent on the lift coefficient. The individual factors for the construction of the profile drag polars are given. They afford a more accurate calculation of the performance coefficients of airplane designs than otherwise attainable with the conventional assumption of constant drag coefficient.

Central arterial pressure assessment with intensity POF sensor

NASA Astrophysics Data System (ADS)

Leitão, Cátia; Gonçalves, Steve; Antunes, Paulo; Bastos, José M.; Pinto, João. L.; André, Paulo

2015-09-01

The central pressure monitoring is considered a new key factor in hypertension assessment and cardiovascular prevention. In this work, it is presented the central arterial systolic pressure assessment with an intensity based POF sensor. The device was tested in four subjects, and stable pulse waves were obtained, allowing the calculation of the central pressure for all the subjects. The results shown that the sensor performs reliably, being a simple and low-cost solution to the intended application.

Instrumental color control for metallic coatings

NASA Astrophysics Data System (ADS)

Chou, W.; Han, Bing; Cui, Guihua; Rigg, Bryan; Luo, Ming R.

2002-06-01

This paper describes work investigating a suitable color quality control method for metallic coatings. A set of psychological experiments was carried out based upon 50 pairs of samples. The results were used to test the performance of various color difference formulae. Different techniques were developed by optimising the weights and/or the lightness parametric factors of colour differences calculated from the four measuring angles. The results show that the new techniques give a significant improvement compared to conventional techniques.

The Performance of Wavelets for Data Compression in Selected Military Applications

DTIC Science & Technology

1990-02-23

reported. 14. SUBJECT TERMS IS. NUMBER OF PAGES 56 16. PRICE CODE 17. SICURITY CLASSIFICATION I lL SECURITY CLASSIFICATION 19. SECURITY CLASSIF4CATION 20...compression ratio is conservative in the sense that it understates the theoretical compression ratio by taking into account the actual memory...effect of reducing the compresion ratios quoted in the table by the factor 7.8/8.0 = 0.975. AWARE, Inc. 14 registration was then calculated for each

Use of the Ishikawa diagram in a case-control analysis to assess the causes of a diffuse lamellar keratitis outbreak.

PubMed

Lira, Luis Henrique; Hirai, Flávio E; Oliveira, Marivaldo; Portellinha, Waldir; Nakano, Eliane Mayumi

2017-01-01

To identify the causes of a diffuse lamellar keratitis (DLK) outbreak using a systematic search tool in a case-control analysis. An Ishikawa diagram was used to guide physicians to determine the potential risk factors involved in this outbreak. Coherence between the occurrences and each possible cause listed in the diagram was verified, and the total number of eyes at risk was used to calculate the proportion of affected eyes. Multivariate analysis was performed using logistic regression to determine the independent effect of the risk factors, after controlling for confounders and test interactions. All DLK cases were reported in 2007 between June 13 and December 21; during this period, 3,698 procedures were performed. Of the 1,682 flap-related procedures, 204 eyes of 141 individuals presented with DLK. No direct relationship was observed between the occurrence of DLK and the presence of any specific factors; however, flap-lifting enhancements, procedures performed during the morning shift, and non-use of therapeutic contact lenses after the surgery were significantly related to higher occurrence percentages of this condition. The Ishikawa diagram, like most quality tools, is a visualization and knowledge organization tool. This systematization allowed the investigators to thoroughly assess all the possible causes of DLK outbreak. A clear view of the entire surgical logistics permitted even more rigid management of the main factors involved in the process and, as a result, highlighted factors that deserved attention. The case-control analysis on every factor raised by the Ishikawa diagram indicated that the commonly suspected factors such as biofilm contamination of the water reservoir in autoclaves, the air-conditioning filter system, glove powder, microkeratome motor oil, and gentian violet markers were not related to the outbreak.

Measurement of total Zn and Zn isotope ratios by quadrupole ICP-MS for evaluation of Zn uptake in gills of brown trout (Salmo trutta) and rainbow trout (Oncorhynchus mykiss)

USGS Publications Warehouse

Wolf, R.E.; Todd, A.S.; Brinkman, S.; Lamothe, P.J.; Smith, K.S.; Ranville, J.F.

2009-01-01

This study evaluates the potential use of stable zinc isotopes in toxicity studies measuring zinc uptake by the gills of brown trout (Salmo trutta) and rainbow trout (Oncorhynchus mykiss). The use of stable isotopes in such studies has several advantages over the use of radioisotopes, including cost, ease of handling, elimination of permit requirements, and waste disposal. A pilot study using brown trout was performed to evaluate sample preparation methods and the ability of a quadrupole inductively coupled plasma mass spectrometer (ICP-MS) system to successfully measure changes in the 67Zn/66Zn ratios for planned exposure levels and duration. After completion of the pilot study, a full-scale zinc exposure study using rainbow trout was performed. The results of these studies indicate that there are several factors that affect the precision of the measured 67Zn/66Zn ratios in the sample digests, including variations in sample size, endogenous zinc levels, and zinc uptake rates by individual fish. However, since these factors were incorporated in the calculation of the total zinc accumulated by the gills during the exposures, the data obtained were adequate for their intended use in calculating zinc binding and evaluating the influences of differences in water quality parameters.

Impact of interpatient variability on organ dose estimates according to MIRD schema: Uncertainty and variance-based sensitivity analysis.

PubMed

Zvereva, Alexandra; Kamp, Florian; Schlattl, Helmut; Zankl, Maria; Parodi, Katia

2018-05-17

Variance-based sensitivity analysis (SA) is described and applied to the radiation dosimetry model proposed by the Committee on Medical Internal Radiation Dose (MIRD) for the organ-level absorbed dose calculations in nuclear medicine. The uncertainties in the dose coefficients thus calculated are also evaluated. A Monte Carlo approach was used to compute first-order and total-effect SA indices, which rank the input factors according to their influence on the uncertainty in the output organ doses. These methods were applied to the radiopharmaceutical (S)-4-(3- 18 F-fluoropropyl)-L-glutamic acid ( 18 F-FSPG) as an example. Since 18 F-FSPG has 11 notable source regions, a 22-dimensional model was considered here, where 11 input factors are the time-integrated activity coefficients (TIACs) in the source regions and 11 input factors correspond to the sets of the specific absorbed fractions (SAFs) employed in the dose calculation. The SA was restricted to the foregoing 22 input factors. The distributions of the input factors were built based on TIACs of five individuals to whom the radiopharmaceutical 18 F-FSPG was administered and six anatomical models, representing two reference, two overweight, and two slim individuals. The self-absorption SAFs were mass-scaled to correspond to the reference organ masses. The estimated relative uncertainties were in the range 10%-30%, with a minimum and a maximum for absorbed dose coefficients for urinary bladder wall and heart wall, respectively. The applied global variance-based SA enabled us to identify the input factors that have the highest influence on the uncertainty in the organ doses. With the applied mass-scaling of the self-absorption SAFs, these factors included the TIACs for absorbed dose coefficients in the source regions and the SAFs from blood as source region for absorbed dose coefficients in highly vascularized target regions. For some combinations of proximal target and source regions, the corresponding cross-fire SAFs were found to have an impact. Global variance-based SA has been for the first time applied to the MIRD schema for internal dose calculation. Our findings suggest that uncertainties in computed organ doses can be substantially reduced by performing an accurate determination of TIACs in the source regions, accompanied by the estimation of individual source region masses along with the usage of an appropriate blood distribution in a patient's body and, in a few cases, the cross-fire SAFs from proximal source regions. © 2018 American Association of Physicists in Medicine.

MO-FG-CAMPUS-IeP1-05: New Ionization Chamber Dosimetry of Absorbed Dose to Water in Diagnostic KV X-Ray Beams

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

Araki, F; Ohno, T

Purpose: To develop new ionization chamber dosimetry of absorbed dose to water in diagnostic kV x-ray beams, by using a beam quality conversion factor, kQ, for Co-60 to kV x-ray and an ionization conversion factor for a water-substitute plastic phantom. Methods: kQ was calculated for aluminum half value-layers (Al-HVLs) of 1.5 mm to 8 mm which were generated by kV x-ray beams of 50 to 120 kVp. Twenty-two energy spectra for ten effective energies (Eeff) were calculated by a SpecCalc program. Depth doses in water were calculated at 5 × 5 to 30 × 30 cm{sup 2} fields. Output factorsmore » were also obtained from the dose ratio for a 10 × 10 cm{sup 2} field. kQ was obtained for a PTW30013 Former ion chamber. In addition, an ionization conversion factor of the PWDT phantom to water was calculated. All calculations were performed with EGSnrc/cavity code and egs-chamber codes. Results: The x-ray beam energies for 1.5 mm to 8 mm Al-HVLs ranged in Eeff of 25.7 to 54.3 keV. kQ for 1.5 mm to 8 mm Al-HVLs were 0.831 to 0.897, at 1 and 2 cm depths for a 10 × 10 cm2 field. Similarly, output factors for 5 × 5 to 30 × 30 cm{sup 2} fields were 0.937 to 1.033 for 25.7 keV and 0.857 to 1.168 for 54.3 keV. The depth dose in a PWDT phantom decreased up to 5% compared to that in water at depth of ten percent of maximum dose for 1.5 mm Al-HVL. The ionization ratios of water/PWDT phantoms for the PTW30013 chamber were 1.012 to 1.007 for 1.5 mm to 8 mm Al-HVLs at 1 cm depth. Conclusion: It became possible to directly measure the absorbed dose to water with the ionization chamber in diagnostic kV x-ray beams, by using kQ and the PWDT phantom.« less

[Urodynamics foundations: contractile potency and urethral doppler].

PubMed

Benítez Navío, Julio; Caballero Gómez, Pilar; Delgado Elipe, Ildefonso

2002-12-01

To calculate the bladder softening factor, elastic constant and contractile potency. For the analysis we considered bladder behavior like that of a spring. See articles 1 and 2 published in this issue. Using flowmetry, Doppler ultrasound and abdominal pressure (Transrectal pressure register catheter) an analytical solution that permits calculation of factors defining bladder behavior was looked for. Doppler ultrasound allows us to know urine velocity through the prostatic urethra and, therefore, to calculate bladder contractile potency. Equations are solved reaching an analytical solution that allows calculating those factors that define bladder behavior: Bladder contractile potency, detrusor elastic constant, considering it behaves like a spring, and calculation of muscle resistance to movement. All thanks to Doppler ultrasound that allows to know urine speed. The bladder voiding phase is defined with the aforementioned factors; storage phase behavior can be indirectly inferred. Only uroflowmetry curves, Doppler ultrasound and abdominal pressure value are used. We comply with the so called non invasive urodynamics although for us it is just another phase in the biomechanical study of the detrusor muscle. Main conclusion is the addition of Doppler ultrasound to the urodynamist armamentarium as an essential instrument for the comprehension of bladder dynamics and calculation of bladder behavior defining factors. It is not a change in the focus but in the methods, gaining knowledge and diminishing invasion.

Towards a dispersive determination of the pion transition form factor

NASA Astrophysics Data System (ADS)

Leupold, Stefan; Hoferichter, Martin; Kubis, Bastian; Niecknig, Franz; Schneider, Sebastian P.

2018-01-01

We start with a brief motivation why the pion transition form factor is interesting and, in particular, how it is related to the high-precision standard-model calculation of the gyromagnetic ratio of the muon. Then we report on the current status of our ongoing project to calculate the pion transition form factor using dispersion theory. Finally we present and discuss a wish list of experimental data that would help to improve the input for our calculations and/or to cross-check our results.

Psychometric properties of stress and anxiety measures among nulliparous women.

PubMed

Bann, Carla M; Parker, Corette B; Grobman, William A; Willinger, Marian; Simhan, Hyagriv N; Wing, Deborah A; Haas, David M; Silver, Robert M; Parry, Samuel; Saade, George R; Wapner, Ronald J; Elovitz, Michal A; Miller, Emily S; Reddy, Uma M

2017-03-01

To examine the psychometric properties of three measures, the perceived stress scale (PSS), pregnancy experience scale (PES), and state trait anxiety inventory (STAI), for assessing stress and anxiety during pregnancy among a large sample of nulliparous women. The sample included 10,002 pregnant women participating in the Nulliparous Pregnancy Outcomes Study: Monitoring Mothers-to-Be (nMoM2b). Internal consistency reliability was assessed with Cronbach's alpha and factorial validity with confirmatory factor analyses. Intraclass correlations (ICCs) were calculated to determine stability of PSS scales over time. Psychometric properties were examined for the overall sample, as well as subgroups based on maternal age, race/ethnicity and language. All three scales demonstrated good internal consistency reliability. Confirmatory factor analyses supported the factor structures of the PSS and the PES. However, a one-factor solution of the trait-anxiety subscale from the STAI did not fit well; a two-factor solution, splitting the items into factors based on direction of item wording (positive versus negative) provided a better fit. Scores on the PSS were generally stable over time (ICC = 0.60). Subgroup analyses revealed a few items that did not perform well on Spanish versions of the scales. Overall, the scales performed well, suggesting they could be useful tools for identifying women experiencing high levels of stress and anxiety during pregnancy and allowing for the implementation of interventions to help reduce maternal stress and anxiety.

Using phylogeny and functional traits for assessing community assembly along environmental gradients: A deterministic process driven by elevation.

PubMed

Xu, Jinshi; Chen, Yu; Zhang, Lixia; Chai, Yongfu; Wang, Mao; Guo, Yaoxin; Li, Ting; Yue, Ming

2017-07-01

Community assembly processes is the primary focus of community ecology. Using phylogenetic-based and functional trait-based methods jointly to explore these processes along environmental gradients are useful ways to explain the change of assembly mechanisms under changing world. Our study combined these methods to test assembly processes in wide range gradients of elevation and other habitat environmental factors. We collected our data at 40 plots in Taibai Mountain, China, with more than 2,300 m altitude difference in study area and then measured traits and environmental factors. Variance partitioning was used to distinguish the main environment factors leading to phylogeny and traits change among 40 plots. Principal component analysis (PCA) was applied to colligate other environment factors. Community assembly patterns along environmental gradients based on phylogenetic and functional methods were studied for exploring assembly mechanisms. Phylogenetic signal was calculated for each community along environmental gradients in order to detect the variation of trait performance on phylogeny. Elevation showed a better explanatory power than other environment factors for phylogenetic and most traits' variance. Phylogenetic and several functional structure clustered at high elevation while some conserved traits overdispersed. Convergent tendency which might be caused by filtering or competition along elevation was detected based on functional traits. Leaf dry matter content (LDMC) and leaf nitrogen content along PCA 1 axis showed conflicting patterns comparing to patterns showed on elevation. LDMC exhibited the strongest phylogenetic signal. Only the phylogenetic signal of maximum plant height showed explicable change along environmental gradients. Synthesis . Elevation is the best environment factors for predicting phylogeny and traits change. Plant's phylogenetic and some functional structures show environmental filtering in alpine region while it shows different assembly processes in middle- and low-altitude region by different trait/phylogeny. The results highlight deterministic processes dominate community assembly in large-scale environmental gradients. Performance of phylogeny and traits along gradients may be independent with each other. The novel method for calculating functional structure which we used in this study and the focus of phylogenetic signal change along gradients may provide more useful ways to detect community assembly mechanisms.

Assessment of ionization chamber correction factors in photon beams using a time saving strategy with PENELOPE code.

PubMed

Reis, C Q M; Nicolucci, P

2016-02-01

The purpose of this study was to investigate Monte Carlo-based perturbation and beam quality correction factors for ionization chambers in photon beams using a saving time strategy with PENELOPE code. Simulations for calculating absorbed doses to water using full spectra of photon beams impinging the whole water phantom and those using a phase-space file previously stored around the point of interest were performed and compared. The widely used NE2571 ionization chamber was modeled with PENELOPE using data from the literature in order to calculate absorbed doses to the air cavity of the chamber. Absorbed doses to water at reference depth were also calculated for providing the perturbation and beam quality correction factors for that chamber in high energy photon beams. Results obtained in this study show that simulations with phase-space files appropriately stored can be up to ten times shorter than using a full spectrum of photon beams in the input-file. Values of kQ and its components for the NE2571 ionization chamber showed good agreement with published values in the literature and are provided with typical statistical uncertainties of 0.2%. Comparisons to kQ values published in current dosimetry protocols such as the AAPM TG-51 and IAEA TRS-398 showed maximum percentage differences of 0.1% and 0.6% respectively. The proposed strategy presented a significant efficiency gain and can be applied for a variety of ionization chambers and clinical photon beams. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Transfer factors of natural radionuclides and (137)Cs from soil to plants used in traditional medicine in central Serbia.

PubMed

Djelic, Gorica; Krstic, Dragana; Stajic, Jelena M; Milenkovic, Biljana; Topuzovic, Marina; Nikezic, Dragoslav; Vucic, Dusica; Zeremski, Tijana; Stankovic, Milan; Kostic, Dragana

2016-07-01

Transfer factors of natural radionuclides and (137)Cs from soil to plants used in traditional medicine were determined. The transfer factors (TF) were calculated as Bq kg(-1) of dry plant per Bq kg(-1) of dry soil. Mass activity concentrations of (226)Ra, (232)Th, (40)K and (137)Cs in soil and plant samples were measured with high purity germanium detector (HPGe). The concentrations of As, Co, Cr, Cu, Mn, Ni, Pb and Zn were determined, as well as the cation exchange capacity (CEC) and the content of exchangeable cations (Ca, Mg, K, Na). Wide ranges of values were obtained for all the metals, especially for Cr and Ni. The Absalom model was used for determination of the amount of (137)Cs transferred from soil to plant based on soil characteristics such as pH, exchangeable potassium, humus and clay contents. The estimated transfer factors were in the range from 0.011 to 0.307 with an arithmetic mean of 0.071, median of 0.050, geometric mean of 0.053 and geometric standard deviation (GSD) of 2.08. This value agreed well with that calculated from the measurements of 0.069, geometric mean 0.040 and GSD 3.19. Correlations between radionuclides, metals, physicochemical properties and transfer factors were determined by Spearman correlation coefficient. There was a strong positive correlation between (137)Cs transfer factor and the ratio of transfer factor for K and (137)Cs. Principal Component Analysis (PCA) was performed in order to identify some pattern of data. Copyright © 2016. Published by Elsevier Ltd.

40 CFR Table Nn-1 to Subpart Hh of... - Default Factors for Calculation Methodology 1 of This Subpart

Code of Federal Regulations, 2011 CFR

2011-07-01

... Calculation Methodology 1 of This Subpart Fuel Default high heating value factor Default CO2 emission factor (kg CO2/MMBtu) Natural Gas 1.028 MMBtu/Mscf 53.02 Propane 3.822 MMBtu/bbl 61.46 Normal butane 4.242...

40 CFR Table Nn-1 to Subpart Hh of... - Default Factors for Calculation Methodology 1 of This Subpart

Code of Federal Regulations, 2013 CFR

2013-07-01

... Calculation Methodology 1 of This Subpart Fuel Default high heating value factor Default CO2 emission factor (kg CO2/MMBtu) Natural Gas 1.028 MMBtu/Mscf 53.02 Propane 3.822 MMBtu/bbl 61.46 Normal butane 4.242...

40 CFR Table Nn-1 to Subpart Hh of... - Default Factors for Calculation Methodology 1 of This Subpart

Code of Federal Regulations, 2012 CFR

2012-07-01

... Calculation Methodology 1 of This Subpart Fuel Default high heating value factor Default CO2 emission factor (kg CO2/MMBtu) Natural Gas 1.028 MMBtu/Mscf 53.02 Propane 3.822 MMBtu/bbl 61.46 Normal butane 4.242...

42 CFR 422.264 - Calculation of savings.

Code of Federal Regulations, 2010 CFR

2010-10-01

...), adjusted using the factors described in paragraph (c) of this section. (3) The risk adjusted MA region... the upcoming calendar year the risk adjustment factors described in paragraph (c)(1) or (c)(2) of this... of calculating savings for MA local plans CMS has the authority to apply risk adjustment factors that...

42 CFR 422.264 - Calculation of savings.

Code of Federal Regulations, 2011 CFR

2011-10-01

...), adjusted using the factors described in paragraph (c) of this section. (3) The risk adjusted MA region... the upcoming calendar year the risk adjustment factors described in paragraph (c)(1) or (c)(2) of this... of calculating savings for MA local plans CMS has the authority to apply risk adjustment factors that...

40 CFR 98.253 - Calculating GHG emissions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... (metric tons/year). 0.98 = Assumed combustion efficiency of a flare. 0.001 = Unit conversion factor... measurement values within the day to calculate a daily average. MVC = Molar volume conversion factor (849.5....001 = Unit conversion factor (metric tons per kilogram, mt/kg). n = Number of measurement periods. The...

Algorithms for the optimization of RBE-weighted dose in particle therapy.

PubMed

Horcicka, M; Meyer, C; Buschbacher, A; Durante, M; Krämer, M

2013-01-21

We report on various algorithms used for the nonlinear optimization of RBE-weighted dose in particle therapy. Concerning the dose calculation carbon ions are considered and biological effects are calculated by the Local Effect Model. Taking biological effects fully into account requires iterative methods to solve the optimization problem. We implemented several additional algorithms into GSI's treatment planning system TRiP98, like the BFGS-algorithm and the method of conjugated gradients, in order to investigate their computational performance. We modified textbook iteration procedures to improve the convergence speed. The performance of the algorithms is presented by convergence in terms of iterations and computation time. We found that the Fletcher-Reeves variant of the method of conjugated gradients is the algorithm with the best computational performance. With this algorithm we could speed up computation times by a factor of 4 compared to the method of steepest descent, which was used before. With our new methods it is possible to optimize complex treatment plans in a few minutes leading to good dose distributions. At the end we discuss future goals concerning dose optimization issues in particle therapy which might benefit from fast optimization solvers.

Algorithms for the optimization of RBE-weighted dose in particle therapy

NASA Astrophysics Data System (ADS)

Horcicka, M.; Meyer, C.; Buschbacher, A.; Durante, M.; Krämer, M.

2013-01-01

We report on various algorithms used for the nonlinear optimization of RBE-weighted dose in particle therapy. Concerning the dose calculation carbon ions are considered and biological effects are calculated by the Local Effect Model. Taking biological effects fully into account requires iterative methods to solve the optimization problem. We implemented several additional algorithms into GSI's treatment planning system TRiP98, like the BFGS-algorithm and the method of conjugated gradients, in order to investigate their computational performance. We modified textbook iteration procedures to improve the convergence speed. The performance of the algorithms is presented by convergence in terms of iterations and computation time. We found that the Fletcher-Reeves variant of the method of conjugated gradients is the algorithm with the best computational performance. With this algorithm we could speed up computation times by a factor of 4 compared to the method of steepest descent, which was used before. With our new methods it is possible to optimize complex treatment plans in a few minutes leading to good dose distributions. At the end we discuss future goals concerning dose optimization issues in particle therapy which might benefit from fast optimization solvers.

Automated Power Assessment for Helicopter Turboshaft Engines

NASA Technical Reports Server (NTRS)

Simon, Donald L.; Litt, Jonathan S.

2008-01-01

An accurate indication of available power is required for helicopter mission planning purposes. Available power is currently estimated on U.S. Army Blackhawk helicopters by performing a Maximum Power Check (MPC), a manual procedure performed by maintenance pilots on a periodic basis. The MPC establishes Engine Torque Factor (ETF), an indication of available power. It is desirable to replace the current manual MPC procedure with an automated approach that will enable continuous real-time assessment of available power utilizing normal mission data. This report presents an automated power assessment approach which processes data currently collected within helicopter Health and Usage Monitoring System (HUMS) units. The overall approach consists of: 1) a steady-state data filter which identifies and extracts steady-state operating points within HUMS data sets; 2) engine performance curve trend monitoring and updating; and 3) automated ETF calculation. The algorithm is coded in MATLAB (The MathWorks, Inc.) and currently runs on a PC. Results from the application of this technique to HUMS mission data collected from UH-60L aircraft equipped with T700-GE-701C engines are presented and compared to manually calculated ETF values. Potential future enhancements are discussed.

Investigation of two and three parameter equations of state for cryogenic fluids

NASA Technical Reports Server (NTRS)

Jenkins, Susan L.; Majumdar, Alok K.; Hendricks, Robert C.

1990-01-01

Two-phase flows are a common occurrence in cryogenic engines and an accurate evaluation of the heat-transfer coefficient in two-phase flow is of significant importance in their analysis and design. The thermodynamic equation of state plays a key role in calculating the heat transfer coefficient which is a function of thermodynamic and thermophysical properties. An investigation has been performed to study the performance of two- and three-parameter equations of state to calculate the compressibility factor of cryogenic fluids along the saturation loci. The two-parameter equations considered here are van der Waals and Redlich-Kwong equations of state. The three-parameter equation represented here is the generalized Benedict-Webb-Rubin (BWR) equation of Lee and Kesler. Results have been compared with the modified BWR equation of Bender and the extended BWR equations of Stewart. Seven cryogenic fluids have been tested; oxygen, hydrogen, helium, nitrogen, argon, neon, and air. The performance of the generalized BWR equation is poor for hydrogen and helium. The van der Waals equation is found to be inaccurate for air near the critical point. For helium, all three equations of state become inaccurate near the critical point.

NLOphoric rigid pyrazino-phenanthroline donor-π-acceptor compounds: Investigation of structural and solvent effects on non-linear optical properties using computational methods

NASA Astrophysics Data System (ADS)

Kothavale, Shantaram; Katariya, Santosh; Sekar, Nagaiyan

2018-01-01

Rigid pyrazino-phenanthroline based donor-π-acceptor-π-auxiliary acceptor type compounds have been studied for their linear and non-linear optical properties. The non-linear optical (NLO) behavior of these dyes was studied by calculating the values of static α , β and γ using solvatochromic as well as computational methods. The results obtained by solvatochromic method are correlated theoretically with Density Functional Theory (DFT) using B3LYP/6-31G (d), CAM B3LYP/6-31 G(d), B3LYP/6-31++ g(d,P) and CAM B3LYP/6-31++ g(d,P) methods. The results reveal that, among all four computational methods CAM-B3LYP/6-31++ g(d,P) performs well for the calculation of linear polarizability (α) and first order hyperpolarizability (β), while CAM-B3LYP/6-31 g(d,P) for the calculation of second order hyperpolarizability (ϒ). Overall TPA depends on the molecular structure variation with increase in complexity and molecular weight, which implies that both the number of branches and the size of π-framework are important factors for the molecular TPA in this chromophoric system. Generalized Mulliken-Hush (GMH) analysis is performed to study the effective charge transfer from donor to acceptor.

Evaluation of image quality metrics for the prediction of subjective best focus.

PubMed

Kilintari, Marina; Pallikaris, Aristophanis; Tsiklis, Nikolaos; Ginis, Harilaos S

2010-03-01

Seven existing and three new image quality metrics were evaluated in terms of their effectiveness in predicting subjective cycloplegic refraction. Monochromatic wavefront aberrations (WA) were measured in 70 eyes using a Shack-Hartmann based device (Complete Ophthalmic Analysis System; Wavefront Sciences). Subjective cycloplegic spherocylindrical correction was obtained using a standard manifest refraction procedure. The dioptric amount required to optimize each metric was calculated and compared with the subjective refraction result. Metrics included monochromatic and polychromatic variants, as well as variants taking into consideration the Stiles and Crawford effect (SCE). WA measurements were performed using infrared light and converted to visible before all calculations. The mean difference between subjective cycloplegic and WA-derived spherical refraction ranged from 0.17 to 0.36 diopters (D), while paraxial curvature resulted in a difference of 0.68 D. Monochromatic metrics exhibited smaller mean differences between subjective cycloplegic and objective refraction. Consideration of the SCE reduced the standard deviation (SD) of the difference between subjective and objective refraction. All metrics exhibited similar performance in terms of accuracy and precision. We hypothesize that errors pertaining to the conversion between infrared and visible wavelengths rather than calculation method may be the limiting factor in determining objective best focus from near infrared WA measurements.

A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.

PubMed

Saheb, Vahid; Sheikhshoaie, Iran; Setoodeh, Nasim; Rudbari, Hadi Amiri; Bruno, Giuseppe

2013-06-01

A new Cu(II) complex [Cu(L)(NCS)] has been synthesized, using 1-(N-salicylideneimino)-2-(N,N-methyl)-aminoethane as tridentate ONN donor Schiff base ligand (HL). The dark green crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FT-IR) and UV-Visible spectra. Electronic structure calculations at the B3LYP and MP2 levels of theory are performed to optimize the molecular geometry and to calculate the UV-Visible and FT-IR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TD-DFT) method is used to calculate the electronic transitions of the complex. A scaling factor of 1.015 is obtained for vibrational frequencies computed at the B3LYP level using basis sets 6-311G(d,p). It is found that solvent has a profound effect on the electronic absorption spectrum. The UV-Visible spectrum of the complex recorded in DMSO and DMF solution can be correctly predicted by a model in which DMSO and DMF molecules are coordinated to the central Cu atom via their oxygen atoms. Copyright © 2013 Elsevier B.V. All rights reserved.

How to harvest solar energy with the photosynthetic reaction center

NASA Astrophysics Data System (ADS)

Balaeff, Alexander; Reyes, Justin

Photosynthetic reaction center (PRC) is a protein complex that performs a key step in photosynthesis: the electron-hole separation driven by photon absorbtion. The PRC has a great promise for applications in solar energy harvesting and photosensing. Such applications, however, are hampered by the difficulty in extracting the photogenerated electric charge from the PRC. To that end, it was proposed to attach the PRC to a molecular wire through which the charge could be collected. In order to find the attachment point for the wire that would maximize the rate of charge outflow from the PRC, we performed a computational study of the PRC from the R. virdis bacterium. An ensemble of PRC structures generated by a molecular dynamics simulation was used to calculate the rate of charge transport from the site of initial charge separation to several trial sites on the protein surface. The Pathways model was used to calculate the charge transfer rate in each step of the network of heme co-factors through which the charge transport was presumed to proceed. A simple kinetic model was then used to determine the overall rate of the multistep charge transport. The calculations revealed several candidate sites for the molecular wire attachment, recommended for experimental verification.

Dynamic Magnification Factor in a Box-Shape Steel Girder

NASA Astrophysics Data System (ADS)

Rahbar-Ranji, A.

2014-01-01

The dynamic effect of moving loads on structures is treated as a dynamic magnification factor when resonant is not imminent. Studies have shown that the calculated magnification factors from field measurements could be higher than the values specified in design codes. It is the main aim of present paper to investigate the applicability and accuracy of a rule-based expression for calculation of dynamic magnification factor for lifting appliances used in marine industry. A steel box shape girder of a crane is considered and transient dynamic analysis using computer code ANSYS is implemented. Dynamic magnification factor is calculated for different loading conditions and compared with rule-based equation. The effects of lifting speeds, acceleration, damping ratio and position of cargo are examined. It is found that rule-based expression underestimate dynamic magnification factor.

Theoretical studies of surface enhanced hyper-Raman spectroscopy: The chemical enhancement mechanism

NASA Astrophysics Data System (ADS)

Valley, Nicholas; Jensen, Lasse; Autschbach, Jochen; Schatz, George C.

2010-08-01

Hyper-Raman spectra for pyridine and pyridine on the surface of a tetrahedral 20 silver atom cluster are calculated using static hyperpolarizability derivatives obtained from time dependent density functional theory. The stability of the results with respect to choice of exchange-correlation functional and basis set is verified by comparison with experiment and with Raman spectra calculated for the same systems using the same methods. Calculated Raman spectra were found to match well with experiment and previous theoretical calculations. The calculated normal and surface enhanced hyper-Raman spectra closely match experimental results. The chemical enhancement factors for hyper-Raman are generally larger than for Raman (102-104 versus 101-102). Integrated hyper-Raman chemical enhancement factors are presented for a set of substituted pyridines. A two-state model is developed to predict these chemical enhancement factors and this was found to work well for the majority of the molecules considered, providing a rationalization for the difference between hyper-Raman and Raman enhancement factors.

Using CyberShake Workflows to Manage Big Seismic Hazard Data on Large-Scale Open-Science HPC Resources

NASA Astrophysics Data System (ADS)

Callaghan, S.; Maechling, P. J.; Juve, G.; Vahi, K.; Deelman, E.; Jordan, T. H.

2015-12-01

The CyberShake computational platform, developed by the Southern California Earthquake Center (SCEC), is an integrated collection of scientific software and middleware that performs 3D physics-based probabilistic seismic hazard analysis (PSHA) for Southern California. CyberShake integrates large-scale and high-throughput research codes to produce probabilistic seismic hazard curves for individual locations of interest and hazard maps for an entire region. A recent CyberShake calculation produced about 500,000 two-component seismograms for each of 336 locations, resulting in over 300 million synthetic seismograms in a Los Angeles-area probabilistic seismic hazard model. CyberShake calculations require a series of scientific software programs. Early computational stages produce data used as inputs by later stages, so we describe CyberShake calculations using a workflow definition language. Scientific workflow tools automate and manage the input and output data and enable remote job execution on large-scale HPC systems. To satisfy the requests of broad impact users of CyberShake data, such as seismologists, utility companies, and building code engineers, we successfully completed CyberShake Study 15.4 in April and May 2015, calculating a 1 Hz urban seismic hazard map for Los Angeles. We distributed the calculation between the NSF Track 1 system NCSA Blue Waters, the DOE Leadership-class system OLCF Titan, and USC's Center for High Performance Computing. This study ran for over 5 weeks, burning about 1.1 million node-hours and producing over half a petabyte of data. The CyberShake Study 15.4 results doubled the maximum simulated seismic frequency from 0.5 Hz to 1.0 Hz as compared to previous studies, representing a factor of 16 increase in computational complexity. We will describe how our workflow tools supported splitting the calculation across multiple systems. We will explain how we modified CyberShake software components, including GPU implementations and migrating from file-based communication to MPI messaging, to greatly reduce the I/O demands and node-hour requirements of CyberShake. We will also present performance metrics from CyberShake Study 15.4, and discuss challenges that producers of Big Data on open-science HPC resources face moving forward.

Gauge invariance and kaon production in deep inelastic scattering at low scales

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

Guerrero, Juan V.; Accardi, Alberto

This work focuses on hadron mass effects in calculations of semi-inclusive kaon production in lepton-Deuteron deeply inelastic scattering at HERMES and COMPASS kinematics. In the collinear factorization framework, the corresponding cross section is shown to factorize, at leading order and leading twist, into products of parton distributions and fragmentation functions evaluated in terms of kaon- and nucleon-mass-dependent scaling variables, and to respect gauge invariance. It is found that hadron mass corrections for integrated kaon multiplicities sizeably reduce the apparent large discrepancy between measurements of K + + K - multiplicities performed by the two collaborations, and fully reconcile their Kmore » +/K - ratios.« less

Influencing Factors and Workpiece's Microstructure in Laser-Assisted Milling of Titanium

NASA Astrophysics Data System (ADS)

Wiedenmann, R.; Liebl, S.; Zaeh, M. F.

Today's lightweight components have to withstand increasing mechanical and thermal loads. Therefore, advanced materials substitute conventional materials like steel or aluminum alloys. Using these high-performance materials the associated costs become prohibitively high. This paper presents the newest fundamental investigations on the hybrid process 'laser-assisted milling' which is an innovative technique to process such materials. The focus is on the validation of a numerical database for a CAD/CAM process control unit which is calculated by using simulation. Prior to that, the influencing factors on a laser-assisted milling process are systematically investigated using Design of Experiments (DoE) to identify the main influencing parameters coming from the laser and the milling operation.

Research on the Additional Secondary Phase Factor for Automatic Identification System Signals Transmitted over a Rough Sea Surface

PubMed Central

Zhang, Shufang; Sun, Xiaowen

2018-01-01

This paper investigates the Additional Secondary Phase Factor (ASF) characteristics of Automatic Identification System (AIS) signals spreading over a rough sea surface. According to the change of the ASFs for AIS signals in different signal form, the influences of the different propagation conditions on the ASFs are analyzed. The expression, numerical calculation, and simulation analysis of the ASFs of AIS signal are performed in the rough sea surface. The results contribute to the high-accuracy propagation delay measurement of AIS signals spreading over the rough sea surface as, well as providing a reference for reliable communication link design in marine engineering for Very High Frequency (VHF) signals. PMID:29462995

Selected highly charged ions as prospective candidates for optical clocks with quality factors larger than 1015

NASA Astrophysics Data System (ADS)

Yu, Yan-mei; Sahoo, B. K.

2018-04-01

The Ni12 +, Cu13 +, Pd12 +, and Ag13 + highly charged ions (HCIs) are proposed for making very accurate optical clocks with the fractional uncertainties below 10-19 level. These HCIs have simple atomic energy levels, clock transitions with quality factors larger than 1015, and optical magnetic-dipole (M 1 ) transitions that can be used for laser cooling and detecting quantum jumps on the clock transitions by the shelving method. To demonstrate the projected fractional uncertainties, we estimate orders of magnitude of the Zeeman, Stark, blackbody radiation, and electric quadrupole shifts of the clock transitions by performing calculations of the relevant atomic properties in the above HCIs.

Gauge invariance and kaon production in deep inelastic scattering at low scales

DOE PAGES

Guerrero, Juan V.; Accardi, Alberto

2018-06-08

This work focuses on hadron mass effects in calculations of semi-inclusive kaon production in lepton-Deuteron deeply inelastic scattering at HERMES and COMPASS kinematics. In the collinear factorization framework, the corresponding cross section is shown to factorize, at leading order and leading twist, into products of parton distributions and fragmentation functions evaluated in terms of kaon- and nucleon-mass-dependent scaling variables, and to respect gauge invariance. It is found that hadron mass corrections for integrated kaon multiplicities sizeably reduce the apparent large discrepancy between measurements of K + + K - multiplicities performed by the two collaborations, and fully reconcile their Kmore » +/K - ratios.« less

Galerkin-collocation domain decomposition method for arbitrary binary black holes

NASA Astrophysics Data System (ADS)

Barreto, W.; Clemente, P. C. M.; de Oliveira, H. P.; Rodriguez-Mueller, B.

2018-05-01

We present a new computational framework for the Galerkin-collocation method for double domain in the context of ADM 3 +1 approach in numerical relativity. This work enables us to perform high resolution calculations for initial sets of two arbitrary black holes. We use the Bowen-York method for binary systems and the puncture method to solve the Hamiltonian constraint. The nonlinear numerical code solves the set of equations for the spectral modes using the standard Newton-Raphson method, LU decomposition and Gaussian quadratures. We show convergence of our code for the conformal factor and the ADM mass. Thus, we display features of the conformal factor for different masses, spins and linear momenta.

The Distribution of Thai Mental State Examination Scores among Non-Demented Elderly in Suburban Bangkok Metropolitan and Associated Factors.

PubMed

Muangpaisan, Weerasak; Assantachai, Prasert; Sitthichai, Kobkul; Richardson, Kathryn; Brayne, Carol

2015-09-01

To obtain the distribution of Thai Mental State Examination (TMSE) scores in the Thai population across different age groups and educational levels in men and women aged 50 years and older and its relationship with demographic factors. The different cutpoints in literate and illiterate participants and item performance in both groups were also determined. Community-dwelling participants aged 50 years and over were invited to join the study. Personal information, general health history, and specific illness questionnaires including the activities of daily living, designed by the Survey in Europe on Nutrition and the Elderly, a ConcertedAction (SENECA), and the Thai Mental State Examination (TMSE) were completed in the face-to-face interview. There were 4,459 participants with no specific reported conditions that could potentially influence cognitive performance. The mean (SD) age was 64.2 (7.9) years and mostparticipants were women (71.7%). The median (interquartile range) of the TMSE was 27 (25-29) and 23 (19-26) in literate and illiterate participants, respectively. The distribution of TMSE scores were reported here determined by age, gender and educational level. Percentage of correct response in each TMSE item was low in recall and calculation performance. TMSE score declined with age in both genders and had greater variation with increasing age. TMSE score also increased with increasing levels of education and better financial status. Gender was not associated with the TMSE score adjusting for age, educational level, and economic status. Age, education, and economic status have an influence on the TMSE performance. Controllingfor these three factors, genders does not contribute to significant differences in TMSE performance. Norms adjustedfor these factors should be considered before employing single cutpoints to identify impairment.

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2014 CFR

2014-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2013 CFR

2013-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2011 CFR

2011-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2010 CFR

2010-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

47 CFR 73.35 - Calculation of improvement factors.

Code of Federal Regulations, 2012 CFR

2012-10-01

... for an allotment (See § 73.30) in the 1605-1705 kHz band filed by an existing fulltime AM station licensed in the 535-1605 kHz band will be ranked according to the station's calculated improvement factor... calculations excluding the subject station. The cumulative gain in the above service area is the numerator of...

Multi-threading performance of Geant4, MCNP6, and PHITS Monte Carlo codes for tetrahedral-mesh geometry.

PubMed

Han, Min Cheol; Yeom, Yeon Soo; Lee, Hyun Su; Shin, Bangho; Kim, Chan Hyeong; Furuta, Takuya

2018-05-04

In this study, the multi-threading performance of the Geant4, MCNP6, and PHITS codes was evaluated as a function of the number of threads (N) and the complexity of the tetrahedral-mesh phantom. For this, three tetrahedral-mesh phantoms of varying complexity (simple, moderately complex, and highly complex) were prepared and implemented in the three different Monte Carlo codes, in photon and neutron transport simulations. Subsequently, for each case, the initialization time, calculation time, and memory usage were measured as a function of the number of threads used in the simulation. It was found that for all codes, the initialization time significantly increased with the complexity of the phantom, but not with the number of threads. Geant4 exhibited much longer initialization time than the other codes, especially for the complex phantom (MRCP). The improvement of computation speed due to the use of a multi-threaded code was calculated as the speed-up factor, the ratio of the computation speed on a multi-threaded code to the computation speed on a single-threaded code. Geant4 showed the best multi-threading performance among the codes considered in this study, with the speed-up factor almost linearly increasing with the number of threads, reaching ~30 when N  =  40. PHITS and MCNP6 showed a much smaller increase of the speed-up factor with the number of threads. For PHITS, the speed-up factors were low when N  =  40. For MCNP6, the increase of the speed-up factors was better, but they were still less than ~10 when N  =  40. As for memory usage, Geant4 was found to use more memory than the other codes. In addition, compared to that of the other codes, the memory usage of Geant4 more rapidly increased with the number of threads, reaching as high as ~74 GB when N  =  40 for the complex phantom (MRCP). It is notable that compared to that of the other codes, the memory usage of PHITS was much lower, regardless of both the complexity of the phantom and the number of threads, hardly increasing with the number of threads for the MRCP.

Organ-specific SPECT activity calibration using 3D printed phantoms for molecular radiotherapy dosimetry.

PubMed

Robinson, Andrew P; Tipping, Jill; Cullen, David M; Hamilton, David; Brown, Richard; Flynn, Alex; Oldfield, Christopher; Page, Emma; Price, Emlyn; Smith, Andrew; Snee, Richard

2016-12-01

Patient-specific absorbed dose calculations for molecular radiotherapy require accurate activity quantification. This is commonly derived from Single-Photon Emission Computed Tomography (SPECT) imaging using a calibration factor relating detected counts to known activity in a phantom insert. A series of phantom inserts, based on the mathematical models underlying many clinical dosimetry calculations, have been produced using 3D printing techniques. SPECT/CT data for the phantom inserts has been used to calculate new organ-specific calibration factors for (99m) Tc and (177)Lu. The measured calibration factors are compared to predicted values from calculations using a Gaussian kernel. Measured SPECT calibration factors for 3D printed organs display a clear dependence on organ shape for (99m) Tc and (177)Lu. The observed variation in calibration factor is reproduced using Gaussian kernel-based calculation over two orders of magnitude change in insert volume for (99m) Tc and (177)Lu. These new organ-specific calibration factors show a 24, 11 and 8 % reduction in absorbed dose for the liver, spleen and kidneys, respectively. Non-spherical calibration factors from 3D printed phantom inserts can significantly improve the accuracy of whole organ activity quantification for molecular radiotherapy, providing a crucial step towards individualised activity quantification and patient-specific dosimetry. 3D printed inserts are found to provide a cost effective and efficient way for clinical centres to access more realistic phantom data.

Patterns of Hospital Performance on the Hospital-Wide 30-Day Readmission Metric: Is the Playing Field Level?

PubMed

Hoyer, Erik H; Padula, William V; Brotman, Daniel J; Reid, Natalie; Leung, Curtis; Lepley, Diane; Deutschendorf, Amy

2018-01-01

Hospital performance on the 30-day hospital-wide readmission (HWR) metric as calculated by the Centers for Medicare and Medicaid Services (CMS) is currently reported as a quality measure. Focusing on patient-level factors may provide an incomplete picture of readmission risk at the hospital level to explain variations in hospital readmission rates. To evaluate and quantify hospital-level characteristics that track with hospital performance on the current HWR metric. Retrospective cohort study. A total of 4785 US hospitals. We linked publically available data on individual hospitals published by CMS on patient-level adjusted 30-day HWR rates from July 1, 2011, through June 30, 2014, to the 2014 American Hospital Association annual survey. Primary outcome was performance in the worst CMS-calculated HWR quartile. Primary hospital-level exposure variables were defined as: size (total number of beds), safety net status (top quartile of disproportionate share), academic status [member of the Association of American Medical Colleges (AAMC)], National Cancer Institute Comprehensive Cancer Center (NCI-CCC) status, and hospital services offered (e.g., transplant, hospice, emergency department). Multilevel regression was used to evaluate the association between 30-day HWR and the hospital-level factors. Hospital-level characteristics significantly associated with performing in the worst CMS-calculated HWR quartile included: safety net status [adjusted odds ratio (aOR) 1.99, 95% confidence interval (95% CI) 1.61-2.45, p < 0.001], large size (> 400 beds, aOR 1.42, 95% CI 1.07-1.90, p = 0.016), AAMC alone status (aOR 1.95, 95% CI 1.35-2.83, p < 0.001), and AAMC plus NCI-CCC status (aOR 5.16, 95% CI 2.58-10.31, p < 0.001). Hospitals with more critical care beds (aOR 1.26, 95% CI 1.02-1.56, p = 0.033), those with transplant services (aOR 2.80, 95% CI 1.48-5.31,p = 0.001), and those with emergency room services (aOR 3.37, 95% CI 1.12-10.15, p = 0.031) demonstrated significantly worse HWR performance. Hospice service (aOR 0.64, 95% CI 0.50-0.82, p < 0.001) and having a higher proportion of total discharges being surgical cases (aOR 0.62, 95% CI 0.50-0.76, p < 0.001) were associated with better performance. The study approach was not intended to be an alternate readmission metric to compete with the existing CMS metric, which would require a re-examination of patient-level data combined with hospital-level data. A number of hospital-level characteristics (such as academic tertiary care center status) were significantly associated with worse performance on the CMS-calculated HWR metric, which may have important health policy implications. Until the reasons for readmission variability can be addressed, reporting the current HWR metric as an indicator of hospital quality should be reevaluated.

Mediating effects of motor performance, cardiorespiratory fitness, physical activity, and sedentary behaviour on the associations of adiposity and other cardiometabolic risk factors with academic achievement in children.

PubMed

Haapala, Eero A; Lintu, Niina; Eloranta, Aino-Maija; Venäläinen, Taisa; Poikkeus, Anna-Maija; Ahonen, Timo; Lindi, Virpi; Lakka, Timo A

2018-03-09

We investigated the associations of cardiometabolic risk factors with academic achievement and whether motor performance, cardiorespiratory fitness, physical activity, or sedentary behaviour mediated these associations. Altogether 175 children 6-8 years-of-age participated in the study. We assessed body fat percentage (BF%), waist circumference, insulin, glucose, triglycerides, HDL cholesterol, and systolic and diastolic blood pressure, leptin, alanine aminotransferase, and gamma-glutamyltransferase (GGT). Reading fluency, reading comprehension, and arithmetic skills were assessed using standardized tests. Speed/agility, balance, and manual dexterity test results were used to calculate motor performance score and physical activity was assessed by combined heart rate and movement sensor and cardiorespiratory fitness by maximal cycle ergometer test. In boys, BF% was inversely associated with reading fluency (β = -0.262, P = 0.007) and reading comprehension (β = -0.216, P = 0.025). Motor performance mediated these associations. Leptin was inversely related to reading fluency (β = -0.272, P = 0.006) and reading comprehension (β = -0.287, P = 0.003). The inverse association of leptin with reading fluency was mediated by motor performance. In girls, GGT was inversely associated with reading fluency independent of confounders (β = -0.325, P = 0.007). The inverse association of BF% with academic achievement among boys was largely explained by motor performance. Leptin in boys and GGT in girls were inversely associated with academic achievement independent of confounding factors.

Overnight shift work: factors contributing to diagnostic discrepancies.

PubMed

Hanna, Tarek N; Loehfelm, Thomas; Khosa, Faisal; Rohatgi, Saurabh; Johnson, Jamlik-Omari

2016-02-01

The aims of the study are to identify factors contributing to preliminary interpretive discrepancies on overnight radiology resident shifts and apply this data in the context of known literature to draw parallels to attending overnight shift work schedules. Residents in one university-based training program provided preliminary interpretations of 18,488 overnight (11 pm–8 am) studies at a level 1 trauma center between July 1, 2013 and December 31, 2014. As part of their normal workflow and feedback, attendings scored the reports as major discrepancy, minor discrepancy, agree, and agree--good job. We retrospectively obtained the preliminary interpretation scores for each study. Total relative value units (RVUs) per shift were calculated as an indicator of overnight workload. The dataset was supplemented with information on trainee level, number of consecutive nights on night float, hour, modality, and per-shift RVU. The data were analyzed with proportional logistic regression and Fisher's exact test. There were 233 major discrepancies (1.26 %). Trainee level (senior vs. junior residents; 1.08 vs. 1.38 %; p < 0.05) and modality were significantly associated with performance. Increased workload affected more junior residents' performance, with R3 residents performing significantly worse on busier nights. Hour of the night was not significantly associated with performance, but there was a trend toward best performance at 2 am, with subsequent decreased accuracy throughout the remaining shift hours. Improved performance occurred after the first six night float shifts, presumably as residents acclimated to a night schedule. As overnight shift work schedules increase in popularity for residents and attendings, focused attention to factors impacting interpretative accuracy is warranted.

Adaptation and validation of the Inventory of Family Protective Factors for the Portuguese culture

PubMed Central

Augusto, Cláudia Cristina Vieira Carvalho de Oliveira Ferreira; Araújo, Beatriz Rodrigues; Rodrigues, Vítor Manuel Costa Pereira; de Figueiredo, Maria do Céu Aguiar Barbieri

2014-01-01

OBJECTIVES: to adapt and validate the Inventory of Family Protective Factors (IFPF) for the Portuguese culture. This instrument assesses protective factors that contribute to family resilience. Studies addressing resilience are embedded within the salutogenic paradigm, i.e. it addresses protective factors of individuals or groups without underestimating risk factors or vulnerability. METHOD: in order to assess the IFPF's linguistic and conceptual equivalence, the instrument was translated, retro-translated and the think-aloud protocol was used. We then verified the instrument's sensitiveness, reliability and validity of results to assess its psychometric characteristics. A factor analysis was performed of the principal components with varimax rotation of the scale's items and Cronbach's alpha coefficient was calculated for each dimension. A total of 85 families with disabled children, selected through simple random sampling, self-administered the instrument. RESULTS: the IFPF presents psychometric characteristics that are appropriate for the Portuguese population (Cronbach's alpha = .90). CONCLUSION: the IFPF was adapted and validated for the Portuguese culture and is an instrument to be used in studies intended to assess protective factors of family resilience. PMID:25591096

Adaptation and validation of the Inventory of Family Protective Factors for the Portuguese culture.

PubMed

Augusto, Cláudia Cristina Vieira Carvalho de Oliveira Ferreira; Araújo, Beatriz Rodrigues; Rodrigues, Vítor Manuel Costa Pereira; de Figueiredo, Maria do Céu Aguiar Barbieri

2014-01-01

to adapt and validate the Inventory of Family Protective Factors (IFPF) for the Portuguese culture. This instrument assesses protective factors that contribute to family resilience. Studies addressing resilience are embedded within the salutogenic paradigm, i.e. it addresses protective factors of individuals or groups without underestimating risk factors or vulnerability. in order to assess the IFPF's linguistic and conceptual equivalence, the instrument was translated, retro-translated and the think-aloud protocol was used. We then verified the instrument's sensitiveness, reliability and validity of results to assess its psychometric characteristics. A factor analysis was performed of the principal components with varimax rotation of the scale's items and Cronbach's alpha coefficient was calculated for each dimension. A total of 85 families with disabled children, selected through simple random sampling, self-administered the instrument. the IFPF presents psychometric characteristics that are appropriate for the Portuguese population (Cronbach's alpha = .90). the IFPF was adapted and validated for the Portuguese culture and is an instrument to be used in studies intended to assess protective factors of family resilience.

Quantifying the Strength of General Factors in Psychopathology: A Comparison of CFA with Maximum Likelihood Estimation, BSEM, and ESEM/EFA Bifactor Approaches.

PubMed

Murray, Aja Louise; Booth, Tom; Eisner, Manuel; Obsuth, Ingrid; Ribeaud, Denis

2018-05-22

Whether or not importance should be placed on an all-encompassing general factor of psychopathology (or p factor) in classifying, researching, diagnosing, and treating psychiatric disorders depends (among other issues) on the extent to which comorbidity is symptom-general rather than staying largely within the confines of narrower transdiagnostic factors such as internalizing and externalizing. In this study, we compared three methods of estimating p factor strength. We compared omega hierarchical and explained common variance calculated from confirmatory factor analysis (CFA) bifactor models with maximum likelihood (ML) estimation, from exploratory structural equation modeling/exploratory factor analysis models with a bifactor rotation, and from Bayesian structural equation modeling (BSEM) bifactor models. Our simulation results suggested that BSEM with small variance priors on secondary loadings might be the preferred option. However, CFA with ML also performed well provided secondary loadings were modeled. We provide two empirical examples of applying the three methodologies using a normative sample of youth (z-proso, n = 1,286) and a university counseling sample (n = 359).

Design and comparative performance analysis of different chirping profiles of tanh apodized fiber Bragg grating and comparison with the dispersion compensation fiber for long-haul transmission system

NASA Astrophysics Data System (ADS)

Dar, Aasif Bashir; Jha, Rakesh Kumar

2017-03-01

Various dispersion compensation units are presented and evaluated in this paper. These dispersion compensation units include dispersion compensation fiber (DCF), DCF merged with fiber Bragg grating (FBG) (joint technique), and linear, square root, and cube root chirped tanh apodized FBG. For the performance evaluation 10 Gb/s NRZ transmission system over 100-km-long single-mode fiber is used. The three chirped FBGs are optimized individually to yield pulse width reduction percentage (PWRP) of 86.66, 79.96, 62.42% for linear, square root, and cube root, respectively. The DCF and Joint technique both provide a remarkable PWRP of 94.45 and 96.96%, respectively. The performance of optimized linear chirped tanh apodized FBG and DCF is compared for long-haul transmission system on the basis of quality factor of received signal. For both the systems maximum transmission distance is calculated such that quality factor is ≥ 6 at the receiver and result shows that performance of FBG is comparable to that of DCF with advantages of very low cost, small size and reduced nonlinear effects.

Study on turbulent flow and heat transfer performance of tubes with internal fins in EGR cooler

NASA Astrophysics Data System (ADS)

Liu, Lin; Ling, Xiang; Peng, Hao

2015-07-01

In this paper, flow and heat transfer performances of the tubes with internal longitudinal fins in Exhaust Gas Recirculation (EGR ) cooler were investigated by three-dimension computation and experiment . Each test tube was a single-pipe structure, without inner tube. Three-dimension computation was performed to determine the thermal characteristics difference between the two kinds of tubes, that is, the tube with an inner solid staff as a blocked structure and the tube without the blocked structure. The effects of fin width and fin height on heat transfer and flow are examined. For proving the validity of numerical method, the calculated results were compared with corresponding experimental data. The tube-side friction factor and heat transfer coefficient were examined. As a result, the maximum deviations between the numerical results and the experimental data are approximately 5.4 % for friction factor and 8.6 % for heat transfer coefficient, respectively. It is found that two types of internally finned tubes enhance significantly heat transfer. The heat transfer of the tube with blocked structure is better, while the pressure drop of the tube without blocked structure is lower. The comprehensive performance of the unblocked tube is better to applied in EGR cooler.

Researches on Position Detection for Vacuum Switch Electrode

NASA Astrophysics Data System (ADS)

Dong, Huajun; Guo, Yingjie; Li, Jie; Kong, Yihan

2018-03-01

Form and transformation character of vacuum arc is important influencing factor on the vacuum switch performance, and the dynamic separations of electrode is the chief effecting factor on the transformation of vacuum arcs forms. Consequently, how to detect the position of electrode to calculate the separations in the arcs image is of great significance. However, gray level distribution of vacuum arcs image isn’t even, the gray level of burning arcs is high, but the gray level of electrode is low, meanwhile, the forms of vacuum arcs changes sharply, the problems above restrict electrode position detection precisely. In this paper, algorithm of detecting electrode position base on vacuum arcs image was proposed. The digital image processing technology was used in vacuum switch arcs image analysis, the upper edge and lower edge were detected respectively, then linear fitting was done using the result of edge detection, the fitting result was the position of electrode, thus, accurate position detection of electrode was realized. From the experimental results, we can see that: algorithm described in this paper detected upper and lower edge of arcs successfully and the position of electrode was obtained through calculation.

Comparison of Sheath Power Transmission Factor for Neutral Beam Injection and Electron Cyclotron Heated Discharges in DIII-D

NASA Astrophysics Data System (ADS)

Donovan, D. C.; Buchenauer, D. A.; Watkins, J. G.; Leonard, A. W.; Lasnier, C. J.; Stangeby, P. C.

2011-10-01

The sheath power transmission factor (SPTF) is examined in DIII-D with a new IR camera, a more thermally robust Langmuir probe array, fast thermocouples, and a unique probe configuration on the Divertor Materials Evaluation System (DiMES). Past data collected from the fixed Langmuir Probes and Infrared Camera on DIII-D have indicated a SPTF near 1 at the strike point. Theory indicates that the SPTF should be approximately 7 and cannot be less than 5. SPTF values are calculated using independent measurements from the IR camera and fast thermocouples. Experiments have been performed with varying levels of electron cyclotron heating and neutral beam power. The ECH power does not involve fast ions, so the SPTF can be calculated and compared to previous experiments to determine the extent to which fast ions may be influencing the SPTF measurements, and potentially offer insight into the disagreement with the theory. Work supported in part by US DOE under DE-AC04-94AL85000, DE-FC02-04ER54698, and DE-AC52-07NA27344.

Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for nitrogen-like Ge XXVI

NASA Astrophysics Data System (ADS)

Wang, K.; Zhang, C. Y.; Jönsson, P.; Si, R.; Zhao, X. H.; Chen, Z. B.; Guo, X. L.; Chen, C. Y.; Yan, J.

2018-03-01

Employing two state-of-the-art methods, multiconfiguration Dirac-Hartree-Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 272 fine-structure levels arising from the 2s22p3, 2s2p4, 2p5, 2s22p23l (l = s , p , d), 2s2p33l (l = s , p , d), and 2p43l (l = s , p , d) configurations in nitrogen-like Ge XXVI. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 272 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. The present data are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing fusion plasmas.