Self-Consistent Conversion of a Viscous Fluid to Particles and Heavy-Ion Physics Applications

NASA Astrophysics Data System (ADS)

Wolff, Zack J.

The most widely used theoretical framework to model the early stages of a heavy-ion collision is viscous hydrodynamics. Comparing hydrodynamic simulations to heavy-ion data inevitably requires the conversion of the fluid to particles. This conversion, typically done in the Cooper-Frye formalism, is ambiguous for viscous fluids. In this thesis work, self-consistent phase space corrections are calculated by solving the linearized Boltzmann equation. These species-dependent solutions are contrasted with those obtained using the ad-hoc ''democratic Grad'' ansatz typically employed in the literature in which coefficients are independent of particle dynamics. Solutions are calculated analytically for a massless gas and numerically for the general case of a hadron resonance gas. For example, it is found that for a gas of massless particles interacting via isotropic, energy-independent 2 → 2 scatterings, the shear viscous corrections variationally prefer a momentum dependence close to p3/2 rather than the quadratic dependence assumed in the Grad ansatz. The self-consistent phase space distributions are then used to calculate transverse momentum spectra and differential flow coefficients, v n(pT), to study the effects on heavy-ion identified particle observables. Using additive quark model cross sections, it is found that proton flow coefficients are higher than those for pions at moderately high pT in Pb + Pb collisions at LHC, especially for the coefficients v 4 and v6.

Ortho-para-H2 conversion by hydrogen exchange: comparison of theory and experiment.

PubMed

Lique, François; Honvault, Pascal; Faure, Alexandre

2012-10-21

We report fully-quantum time-independent calculations of cross sections and rate coefficients for the collisional (de)excitation of H(2) by H. Our calculations are based on the H(3) global potential energy surface of Mielke et al. [J. Chem. Phys. 116, 4142 (2002)]. The reactive hydrogen exchange channels are taken into account. We show that the ortho-para and para-ortho conversion of H(2) are significant processes at temperatures above ~300 K and for the last process we provide the first comparison with available experimental rate coefficients between 300 and 444 K. The good agreement between theory and experiment is a new illustration of our detailed understanding of the simplest chemical reaction. The importance of the ortho-para-H(2) conversion by hydrogen exchange in astrophysics is discussed.

Dose conversion coefficients for neutron exposure to the lens of the human eye.

PubMed

Manger, R P; Bellamy, M B; Eckerman, K F

2012-03-01

Dose conversion coefficients for the lens of the human eye have been calculated for neutron exposure at energies from 1 × 10(-9) to 20 MeV and several standard orientations: anterior-to-posterior, rotational and right lateral. MCNPX version 2.6.0, a Monte Carlo-based particle transport package, was used to determine the energy deposited in the lens of the eye. The human eyeball model was updated by partitioning the lens into sensitive and insensitive volumes as the anterior portion (sensitive volume) of the lens being more radiosensitive and prone to cataract formation. The updated eye model was used with the adult UF-ORNL mathematical phantom in the MCNPX transport calculations.

A theory of the inverse magnetoelectric effect in layered magnetostrictive-piezoelectric structures

NASA Astrophysics Data System (ADS)

Filippov, D. A.; Radchenko, G. S.; Firsova, T. O.; Galkina, T. A.

2017-05-01

A theory of the inverse magnetoelectric effect in layered structures has been presented. The theory is based on solving the equations of elastodynamics and electrostatics separately for the magnetostrictive and piezoelectric phases, taking into account the conditions at the interface between the phases. Expressions for the coefficient of inverse magnetoelectric conversion through the parameters characterizing the magnetostrictive and piezoelectric phases have been obtained. Theoretical dependences of the inverse magnetoelectric conversion coefficient on the frequency of the alternating-current electric field for the three-layer PZT-Ni-PZT structure and the two-layer terfenol- D-PZT structure have been calculated. The results of the calculations are in good agreement with the experimental data.

SU-D-209-06: Study On the Dose Conversion Coefficients in Pediatric Radiography with the Development of Children Voxel Phantoms

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

Liu, Q; Shanghai General Hospital, Shanghai, Shanghai; Zhuo, W

Purpose: Conversion coefficients of organ dose normalized to entrance skin dose (ESD) are widely used to evaluate the organ doses directly using ESD without time-consuming dose measurement, this work aims to investigate the dose conversion coefficients in pediatric chest and abdomen radiography with the development of 5 years and 10 years old children voxel phantoms. Methods: After segmentation of organs and tissues from CT slice images of ATOM tissue-equivalent phantoms, a 5-year-old and a 10-year-old children computational voxel phantoms were developed for Monte Carlo simulation. The organ doses and the entrance skin dose for pediatric chest postero-anterior projection and abdominalmore » antero-posterior projection were simulated at the same time, and then the organ dose conversion coefficients were calculated.To verify the simulated results, dose measurement was carried out with ATOM tissue-equivalent phantoms for 5 year chest radiography. Results: Simulated results and experimental results matched very well with each other, the result differences of all the organs covered in radiation field were below 16% for 5-year-old child in chest projection. I showed that the conversion coefficients of organs covered in the radiation field were much larger than organs out of the field for all the study cases, for example, the conversion coefficients of stomach, liver intestines, and pancreas are larger for abdomen radiography while conversion coefficients of lungs are larger for chest radiography. Conclusion: The voxel children phantoms were helpful to evaluate the radiation doses more accurately and efficiently. Radiation field was the essential factor that affects the organ dose, use reasonably small field should be encouraged for radiation protection. This work was supported by the National Natural Science Foundation of China(11475047)« less

Organ dose conversion coefficients for tube current modulated CT protocols for an adult population

NASA Astrophysics Data System (ADS)

Fu, Wanyi; Tian, Xiaoyu; Sahbaee, Pooyan; Zhang, Yakun; Segars, William Paul; Samei, Ehsan

2016-03-01

In computed tomography (CT), patient-specific organ dose can be estimated using pre-calculated organ dose conversion coefficients (organ dose normalized by CTDIvol, h factor) database, taking into account patient size and scan coverage. The conversion coefficients have been previously estimated for routine body protocol classes, grouped by scan coverage, across an adult population for fixed tube current modulated CT. The coefficients, however, do not include the widely utilized tube current (mA) modulation scheme, which significantly impacts organ dose. This study aims to extend the h factors and the corresponding dose length product (DLP) to create effective dose conversion coefficients (k factor) database incorporating various tube current modulation strengths. Fifty-eight extended cardiac-torso (XCAT) phantoms were included in this study representing population anatomy variation in clinical practice. Four mA profiles, representing weak to strong mA dependency on body attenuation, were generated for each phantom and protocol class. A validated Monte Carlo program was used to simulate the organ dose. The organ dose and effective dose was further normalized by CTDIvol and DLP to derive the h factors and k factors, respectively. The h factors and k factors were summarized in an exponential regression model as a function of body size. Such a population-based mathematical model can provide a comprehensive organ dose estimation given body size and CTDIvol. The model was integrated into an iPhone app XCATdose version 2, enhancing the 1st version based upon fixed tube current modulation. With the organ dose calculator, physicists, physicians, and patients can conveniently estimate organ dose.

Organ and effective dose conversion coefficients for a sitting female hybrid computational phantom exposed to monoenergetic protons in idealized irradiation geometries.

PubMed

Alves, M C; Santos, W S; Lee, Choonsik; Bolch, Wesley E; Hunt, John G; Carvalho Júnior, A B

2014-12-21

The conversion coefficients (CCs) relate protection quantities, mean absorbed dose (DT) and effective dose (E), with physical radiation field quantities, such as fluence (Φ). The calculation of CCs through Monte Carlo simulations is useful for estimating the dose in individuals exposed to radiation. The aim of this work was the calculation of conversion coefficients for absorbed and effective doses per fluence (DT/ Φ and E/Φ) using a sitting and standing female hybrid phantom (UFH/NCI) exposure to monoenergetic protons with energy ranging from 2 MeV to 10 GeV. The radiation transport code MCNPX was used to develop exposure scenarios implementing the female UFH/NCI phantom in sitting and standing postures. Whole-body irradiations were performed using the recommended irradiation geometries by ICRP publication 116 (AP, PA, RLAT, LLAT, ROT and ISO). In most organs, the conversion coefficients DT/Φ were similar for both postures. However, relative differences were significant for organs located in the abdominal region, such as ovaries, uterus and urinary bladder, especially in the AP, RLAT and LLAT geometries. Anatomical differences caused by changing the posture of the female UFH/NCI phantom led an attenuation of incident protons with energies below 150 MeV by the thigh of the phantom in the sitting posture, for the front-to-back irradiation, and by the arms and hands of the phantom in the standing posture, for the lateral irradiation.

Dose conversion coefficients for neutron exposure to the lens of the human eye

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

Manger, Ryan P; Bellamy, Michael B; Eckerman, Keith F

Dose conversion coefficients for the lens of the human eye have been calculated for neutron exposure at energies from 1 x 10{sup -9} to 20 MeV and several standard orientations: anterior-to-posterior, rotational and right lateral. MCNPX version 2.6.0, a Monte Carlo-based particle transport package, was used to determine the energy deposited in the lens of the eye. The human eyeball model was updated by partitioning the lens into sensitive and insensitive volumes as the anterior portion (sensitive volume) of the lens being more radiosensitive and prone to cataract formation. The updated eye model was used with the adult UF-ORNL mathematicalmore » phantom in the MCNPX transport calculations.« less

Fluence-to-Absorbed Dose Conversion Coefficients for Use in Radiological Protection of Embryo and Foetus Against External Exposure to Muons from 20MeV to 50GeV

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

Chen Jing

2008-08-07

This study used the Monte-Carlo code MCNPX to determine mean absorbed doses to the embryo and foetus when the mother is exposed to external muon fields. Monoenergetic muons ranging from 20 MeV to 50 GeV were considered. The irradiation geometries include anteroposterior (AP), postero-anterior (PA), lateral (LAT), rotational (ROT), isotropic (ISO), and top-down (TOP). At each of these irradiation geometries, absorbed doses to the foetal body were calculated for the embryo of 8 weeks and the foetus of 3, 6 or 9 months, respectively. Muon fluence-to-absorbed-dose conversion coefficients were derived for the four prenatal ages. Since such conversion coefficients aremore » yet unknown, the results presented here fill a data gap.« less

Organ dose conversion coefficients based on a voxel mouse model and MCNP code for external photon irradiation.

PubMed

Zhang, Xiaomin; Xie, Xiangdong; Cheng, Jie; Ning, Jing; Yuan, Yong; Pan, Jie; Yang, Guoshan

2012-01-01

A set of conversion coefficients from kerma free-in-air to the organ absorbed dose for external photon beams from 10 keV to 10 MeV are presented based on a newly developed voxel mouse model, for the purpose of radiation effect evaluation. The voxel mouse model was developed from colour images of successive cryosections of a normal nude male mouse, in which 14 organs or tissues were segmented manually and filled with different colours, while each colour was tagged by a specific ID number for implementation of mouse model in Monte Carlo N-particle code (MCNP). Monte Carlo simulation with MCNP was carried out to obtain organ dose conversion coefficients for 22 external monoenergetic photon beams between 10 keV and 10 MeV under five different irradiation geometries conditions (left lateral, right lateral, dorsal-ventral, ventral-dorsal, and isotropic). Organ dose conversion coefficients were presented in tables and compared with the published data based on a rat model to investigate the effect of body size and weight on the organ dose. The calculated and comparison results show that the organ dose conversion coefficients varying the photon energy exhibits similar trend for most organs except for the bone and skin, and the organ dose is sensitive to body size and weight at a photon energy approximately <0.1 MeV.

Comparing Hp(3) evaluated from the conversion coefficients from air kerma to personal dose equivalent for eye lens dosimetry calibrated on a new cylindrical PMMA phantom

NASA Astrophysics Data System (ADS)

Esor, J.; Sudchai, W.; Monthonwattana, S.; Pungkun, V.; Intang, A.

2017-06-01

Based on a new occupational dose limit recommended by ICRP (2011), the annual dose limit for the lens of the eye for workers should be reduced from 150 mSv/y to 20 mSv/y averaged over 5 consecutive years in which no single year exceeding 50 mSv. This new dose limit directly affects radiologists and cardiologists whose work involves high radiation exposure over 20 mSv/y. Eye lens dosimetry (Hp(3)) has become increasingly important and should be evaluated directly based on dosimeters that are worn closely to the eye. Normally, Hp(3) dose algorithm was carried out by the combination of Hp(0.07) and Hp(10) values while dosimeters were calibrated on slab PMMA phantom. Recently, there were three reports from European Union that have shown the conversion coefficients from air kerma to Hp(3). These conversion coefficients carried out by ORAMED, PTB and CEA Saclay projects were performed by using a new cylindrical head phantom. In this study, various delivered doses were calculated using those three conversion coefficients while nanoDot, small OSL dosimeters, were used for Hp(3) measurement. These calibrations were performed with a standard X-ray generator at Secondary Standard Dosimetry Laboratory (SSDL). Delivered doses (Hp(3)) using those three conversion coefficients were compared with Hp(3) from nanoDot measurements. The results showed that percentage differences between delivered doses evaluated from the conversion coefficient of each project and Hp(3) doses evaluated from the nanoDots were found to be not exceeding -11.48 %, -8.85 % and -8.85 % for ORAMED, PTB and CEA Saclay project, respectively.

Monte Carlo calculation of the neutron dose to a fetus at commercial flight altitudes

NASA Astrophysics Data System (ADS)

Alves, M. C.; Galeano, D. C.; Santos, W. S.; Hunt, John G.; d'Errico, Francesco; Souza, S. O.; de Carvalho Júnior, A. B.

2017-11-01

Aircrew members are exposed to primary cosmic rays as well as to secondary radiations from the interaction of cosmic rays with the atmosphere and with the aircraft. The radiation field at flight altitudes comprises neutrons, protons, electrons, positrons, photons, muons and pions. Generally, 50% of the effective dose to airplane passengers is due to neutrons. Care must be taken especially with pregnant aircrew members and frequent fliers so that the equivalent dose to the fetus will not exceed prescribed limits during pregnancy (1 mSv according to ICRP, and 5 mSv according to NCRP). Therefore, it is necessary to evaluate the equivalent dose to a fetus in the maternal womb. Up to now, the equivalent dose rate to a fetus at commercial flight altitudes was obtained using stylized pregnant-female phantom models. The aim of this study was calculating neutron fluence to dose conversion coefficients for a fetus of six months of gestation age using a new, realistic pregnant-female mesh-phantom. The equivalent dose rate to a fetus during an intercontinental flight was also calculated by folding our conversion coefficients with published spectral neutron flux data. The calculated equivalent dose rate to the fetus was 2.35 μSv.h-1, that is 1.5 times higher than equivalent dose rates reported in the literature. The neutron fluence to dose conversion coefficients for the fetus calculated in this study were 2.7, 3.1 and 3.9 times higher than those from previous studies using fetus models of 3, 6 and 9 months of gestation age, respectively. The differences between our study and data from the literature highlight the importance of using more realistic anthropomorphic phantoms to estimate doses to a fetus in pregnant aircrew members.

Ortho-para H₂ conversion by proton exchange at low temperature: an accurate quantum mechanical study.

PubMed

Honvault, P; Jorfi, M; González-Lezana, T; Faure, A; Pagani, L

2011-07-08

We report extensive, accurate fully quantum, time-independent calculations of cross sections at low collision energies, and rate coefficients at low temperatures for the H⁺ + H₂(v = 0, j) → H⁺ + H₂(v = 0, j') reaction. Different transitions are considered, especially the ortho-para conversion (j = 1 → j' = 0) which is of key importance in astrophysics. This conversion process appears to be very efficient and dominant at low temperature, with a rate coefficient of 4.15 × 10⁻¹⁰ cm³ molecule⁻¹ s⁻¹ at 10 K. The quantum mechanical results are also compared with statistical quantum predictions and the reaction is found to be statistical in the low temperature regime (T < 100 K).

Conversion coefficients from fluence to effective dose for heavy ions with energies up to 3 GeV/A.

PubMed

Sato, T; Tsuda, S; Sakamoto, Y; Yamaguchi, Y; Niita, K

2003-01-01

Radiological protection against high-energy heavy ions has been an essential issue in the planning of long-term space missions. The fluence to effective dose conversion coefficients have been calculated for heavy ions using the particle and heavy ion transport code system PHITS coupled with an anthropomorphic phantom of the MIRD5 type. The calculations were performed for incidences of protons and typical space heavy ions--deuterons, tritons, 3He, alpha particles, 12C, 20Ne, 40Ar, 40Ca and 56Fe--with energies up to 3 GeV/A in the isotropic and anterior-posterior irradiation geometries. A simple fitting formula that can predict the effective dose from almost all kinds of space heavy ions below 3 GeV/A within an accuracy of 30% is deduced from the results.

Monte Carlo determination of the conversion coefficients Hp(3)/Ka in a right cylinder phantom with 'PENELOPE' code. Comparison with 'MCNP' simulations.

PubMed

Daures, J; Gouriou, J; Bordy, J M

2011-03-01

This work has been performed within the frame of the European Union ORAMED project (Optimisation of RAdiation protection for MEDical staff). The main goal of the project is to improve standards of protection for medical staff for procedures resulting in potentially high exposures and to develop methodologies for better assessing and for reducing, exposures to medical staff. The Work Package WP2 is involved in the development of practical eye-lens dosimetry in interventional radiology. This study is complementary of the part of the ENEA report concerning the calculations with the MCNP-4C code of the conversion factors related to the operational quantity H(p)(3). In this study, a set of energy- and angular-dependent conversion coefficients (H(p)(3)/K(a)), in the newly proposed square cylindrical phantom made of ICRU tissue, have been calculated with the Monte-Carlo code PENELOPE and MCNP5. The H(p)(3) values have been determined in terms of absorbed dose, according to the definition of this quantity, and also with the kerma approximation as formerly reported in ICRU reports. At a low-photon energy (up to 1 MeV), the two results obtained with the two methods are consistent. Nevertheless, large differences are showed at a higher energy. This is mainly due to the lack of electronic equilibrium, especially for small angle incidences. The values of the conversion coefficients obtained with the MCNP-4C code published by ENEA quite agree with the kerma approximation calculations obtained with PENELOPE. We also performed the same calculations with the code MCNP5 with two types of tallies: F6 for kerma approximation and *F8 for estimating the absorbed dose that is, as known, due to secondary electrons. PENELOPE and MCNP5 results agree for the kerma approximation and for the absorbed dose calculation of H(p)(3) and prove that, for photon energies larger than 1 MeV, the transport of the secondary electrons has to be taken into account.

Comparison of effective transverse piezoelectric coefficients e31,f of Pb(Zr,Ti)O3 thin films between direct and converse piezoelectric effects

NASA Astrophysics Data System (ADS)

Tsujiura, Yuichi; Kawabe, Saneyuki; Kurokawa, Fumiya; Hida, Hirotaka; Kanno, Isaku

2015-10-01

We evaluated the effective transverse piezoelectric coefficients (e31,f) of Pb(Zr,Ti)O3 (PZT) thin films from both the direct and converse piezoelectric effects of unimorph cantilevers. (001) preferentially oriented polycrystalline PZT thin films and (001)/(100) epitaxial PZT thin films were deposited on (111)Pt/Ti/Si and (001)Pt/MgO substrates, respectively, by rf-magnetron sputtering, and their piezoelectric responses owing to intrinsic and extrinsic effects were examined. The direct and converse |e31,f| values of the polycrystalline PZT thin films were calculated as 6.4 and 11.5-15.0 C/m2, respectively, whereas those of the epitaxial PZT thin films were calculated as 3.4 and 4.6-4.8 C/m2, respectively. The large |e31,f| of the converse piezoelectric property of the polycrystalline PZT thin films is attributed to extrinsic piezoelectric effects. Furthermore, the polycrystalline PZT thin films show a clear nonlinear piezoelectric contribution, which is the same as the Rayleigh-like behavior reported in bulk PZT. In contrast, the epitaxial PZT thin films on the MgO substrate show a piezoelectric response owing to the intrinsic and linear extrinsic effects, and no nonlinear contribution was observed.

Correction factors for on-line microprobe analysis of multielement alloy systems

NASA Technical Reports Server (NTRS)

Unnam, J.; Tenney, D. R.; Brewer, W. D.

1977-01-01

An on-line correction technique was developed for the conversion of electron probe X-ray intensities into concentrations of emitting elements. This technique consisted of off-line calculation and representation of binary interaction data which were read into an on-line minicomputer to calculate variable correction coefficients. These coefficients were used to correct the X-ray data without significantly increasing computer core requirements. The binary interaction data were obtained by running Colby's MAGIC 4 program in the reverse mode. The data for each binary interaction were represented by polynomial coefficients obtained by least-squares fitting a third-order polynomial. Polynomial coefficients were generated for most of the common binary interactions at different accelerating potentials and are included. Results are presented for the analyses of several alloy standards to demonstrate the applicability of this correction procedure.

An improved MCNP version of the NORMAN voxel phantom for dosimetry studies.

PubMed

Ferrari, P; Gualdrini, G

2005-09-21

In recent years voxel phantoms have been developed on the basis of tomographic data of real individuals allowing new sets of conversion coefficients to be calculated for effective dose. Progress in radiation studies brought ICRP to revise its recommendations and a new report, already circulated in draft form, is expected to change the actual effective dose evaluation method. In the present paper the voxel phantom NORMAN developed at HPA, formerly NRPB, was employed with MCNP Monte Carlo code. A modified version of the phantom, NORMAN-05, was developed to take into account the new set of tissues and weighting factors proposed in the cited ICRP draft. Air kerma to organ equivalent dose and effective dose conversion coefficients for antero-posterior and postero-anterior parallel photon beam irradiations, from 20 keV to 10 MeV, have been calculated and compared with data obtained in other laboratories using different numerical phantoms. Obtained results are in good agreement with published data with some differences for the effective dose calculated employing the proposed new tissue weighting factors set in comparison with previous evaluations based on the ICRP 60 report.

Absorbed dose in target cell nuclei and dose conversion coefficient of radon progeny in the human lung.

PubMed

Nikezic, D; Lau, B M F; Stevanovic, N; Yu, K N

2006-01-01

To calculate the absorbed dose in the human lung due to inhaled radon progeny, ICRP focussed on the layers containing the target cells, i.e., the basal and secretory cells. Such an approach did not consider details of the sensitive cells in the layers. The present work uses the microdosimetric approach and determines the absorbed alpha-particle energy in non-spherical nuclei of target cells (basal and secretory cells). The absorbed energy for alpha particles emitted by radon progeny in the human respiratory tract was calculated in basal- and secretory-cell nuclei, assuming conical and ellipsoidal forms for these cells. Distributions of specific energy for different combinations of alpha-particle sources, energies and targets are calculated and shown. The dose conversion coefficient for radon progeny is reduced for about 2mSv/WLM when conical and ellipsoidal cell nuclei are considered instead of the layers. While changes in the geometry of secretory-cell nuclei do not have significant effects on their absorbed dose, changes from spherical to conical basal-cell nuclei have significantly reduced their absorbed dose from approximately 4 to approximately 3mGy/WLM. This is expected because basal cells are situated close to the end of the range of 6MeV alpha particles. This also underlines the significance of better and more precise information on targets in the T-B tree. A further change in the dose conversion coefficient can be achieved if a different weighting scheme is adopted for the doses for the cells. The results demonstrate the necessity for better information on the target cells for more accurate dosimetry for radon progeny.

Dose conversion coefficients for electron exposure of the human eye lens: calculations including a whole body phantom.

PubMed

Behrens, R

2013-07-01

In this work, conversion coefficients from electron fluence to absorbed dose to the eye lens were calculated using Monte Carlo simulations based on a detailed stylised eye model and a very simple but whole body phantom. These data supersede and complement data published earlier based on the simulation of only a single stylised eye. The new data differ from the old ones by not more than 3, 4, 7 and 16 % for angles of radiation incidence of α=0°, 15°, 30° and 45°, respectively, due to the inclusion of the whole body phantom. The data presented in the present work also complement those of a recent report of the International Commission on Radiological Protection (ICRP) (ICRP Publication 116), where conversion coefficients from electron fluence to absorbed dose to the lens of the eye are shown for solely 0°, 180° and isotropic radiation incidence (but for a much broader range of energies). In this article, values are provided for angles of incidence of 0° up to 180° in steps of 15° and for rotational geometry; no systematic deviation was observed from the values given in ICRP Publication 116 for 0° (based on the application of a bare eye) and 180° (based on the application of a voxel whole body phantom). Data are given for monoenergetic electrons from 0.1 up to 10 MeV and for a broad parallel beam geometry in vacuum.

NEURAL NETWORK MODELLING OF CARDIAC DOSE CONVERSION COEFFICIENT FOR ARBITRARY X-RAY SPECTRA.

PubMed

Kadri, O; Manai, K

2016-12-01

In this article, an approach to compute the dose conversion coefficients (DCCs) is described for the computational voxel phantom 'High-Definition Reference Korean-Man' (HDRK-Man) using artificial neural networks (ANN). For this purpose, the voxel phantom was implemented into the Monte Carlo (MC) transport toolkit GEANT4, and the DCCs for more than 30 tissues and organs, due to a broad parallel beam of monoenergetic photons with energy ranging from 15 to 150 keV by a step of 5 keV, were calculated. To study the influence of patient size on DCC values, DCC calculation was performed, for a representative body size population, using five different sizes covering the range of 80-120 % magnification of the original HDRK-Man. The focus of the present study was on the computation of DCC for the human heart. ANN calculation and MC simulation results were compared, and good agreement was observed showing that ANNs can be used as an efficient tool for modelling DCCs for the computational voxel phantom. ANN approach appears to be a significant advance over the time-consuming MC methods for DCC calculation. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Dose conversion coefficients for monoenergetic electrons incident on a realistic human eye model with different lens cell populations

NASA Astrophysics Data System (ADS)

Nogueira, P.; Zankl, M.; Schlattl, H.; Vaz, P.

2011-11-01

The radiation-induced posterior subcapsular cataract has long been generally accepted to be a deterministic effect that does not occur at doses below a threshold of at least 2 Gy. Recent epidemiological studies indicate that the threshold for cataract induction may be much lower or that there may be no threshold at all. A thorough study of this subject requires more accurate dose estimates for the eye lens than those available in ICRP Publication 74. Eye lens absorbed dose per unit fluence conversion coefficients for electron irradiation were calculated using a geometrical model of the eye that takes into account different cell populations of the lens epithelium, together with the MCNPX Monte Carlo radiation transport code package. For the cell population most sensitive to ionizing radiation—the germinative cells—absorbed dose per unit fluence conversion coefficients were determined that are up to a factor of 4.8 higher than the mean eye lens absorbed dose conversion coefficients for electron energies below 2 MeV. Comparison of the results with previously published values for a slightly different eye model showed generally good agreement for all electron energies. Finally, the influence of individual anatomical variability was quantified by positioning the lens at various depths below the cornea. A depth difference of 2 mm between the shallowest and the deepest location of the germinative zone can lead to a difference between the resulting absorbed doses of up to nearly a factor of 5000 for electron energy of 0.7 MeV.

Dose conversion coefficients for monoenergetic electrons incident on a realistic human eye model with different lens cell populations.

PubMed

Nogueira, P; Zankl, M; Schlattl, H; Vaz, P

2011-11-07

The radiation-induced posterior subcapsular cataract has long been generally accepted to be a deterministic effect that does not occur at doses below a threshold of at least 2 Gy. Recent epidemiological studies indicate that the threshold for cataract induction may be much lower or that there may be no threshold at all. A thorough study of this subject requires more accurate dose estimates for the eye lens than those available in ICRP Publication 74. Eye lens absorbed dose per unit fluence conversion coefficients for electron irradiation were calculated using a geometrical model of the eye that takes into account different cell populations of the lens epithelium, together with the MCNPX Monte Carlo radiation transport code package. For the cell population most sensitive to ionizing radiation-the germinative cells-absorbed dose per unit fluence conversion coefficients were determined that are up to a factor of 4.8 higher than the mean eye lens absorbed dose conversion coefficients for electron energies below 2 MeV. Comparison of the results with previously published values for a slightly different eye model showed generally good agreement for all electron energies. Finally, the influence of individual anatomical variability was quantified by positioning the lens at various depths below the cornea. A depth difference of 2 mm between the shallowest and the deepest location of the germinative zone can lead to a difference between the resulting absorbed doses of up to nearly a factor of 5000 for electron energy of 0.7 MeV.

Carbon Conversion Efficiency and Limits of Productive Bacterial Degradation of Methyl tert-Butyl Ether and Related Compounds▿

PubMed Central

Müller, Roland H.; Rohwerder, Thore; Harms, Hauke

2007-01-01

The utilization of the fuel oxygenate methyl tert-butyl ether (MTBE) and related compounds by microorganisms was investigated in a mainly theoretical study based on the YATP concept. Experiments were conducted to derive realistic maintenance coefficients and Ks values needed to calculate substrate fluxes available for biomass production. Aerobic substrate conversion and biomass synthesis were calculated for different putative pathways. The results suggest that MTBE is an effective heterotrophic substrate that can sustain growth yields of up to 0.87 g g−1, which contradicts previous calculation results (N. Fortin et al., Environ. Microbiol. 3:407-416, 2001). Sufficient energy equivalents were generated in several of the potential assimilatory routes to incorporate carbon into biomass without the necessity to dissimilate additional substrate, efficient energy transduction provided. However, when a growth-related kinetic model was included, the limits of productive degradation became obvious. Depending on the maintenance coefficient ms and its associated biomass decay term b, growth-associated carbon conversion became strongly dependent on substrate fluxes. Due to slow degradation kinetics, the calculations predicted relatively high threshold concentrations, Smin, below which growth would not further be supported. Smin strongly depended on the maximum growth rate μmax, and b and was directly correlated with the half maximum rate-associated substrate concentration Ks, meaning that any effect impacting this parameter would also change Smin. The primary metabolic step, catalyzing the cleavage of the ether bond in MTBE, is likely to control the substrate flux in various strains. In addition, deficits in oxygen as an external factor and in reduction equivalents as a cellular variable in this reaction should further increase Ks and Smin for MTBE. PMID:17220260

Validation of Monte Carlo simulation of mammography with TLD measurement and depth dose calculation with a detailed breast model

NASA Astrophysics Data System (ADS)

Wang, Wenjing; Qiu, Rui; Ren, Li; Liu, Huan; Wu, Zhen; Li, Chunyan; Li, Junli

2017-09-01

Mean glandular dose (MGD) is not only determined by the compressed breast thickness (CBT) and the glandular content, but also by the distribution of glandular tissues in breast. Depth dose inside the breast in mammography has been widely concerned as glandular dose decreases rapidly with increasing depth. In this study, an experiment using thermo luminescent dosimeters (TLDs) was carried out to validate Monte Carlo simulations of mammography. Percent depth doses (PDDs) at different depth values were measured inside simple breast phantoms of different thicknesses. The experimental values were well consistent with the values calculated by Geant4. Then a detailed breast model with a CBT of 4 cm and a glandular content of 50%, which has been constructed in previous work, was used to study the effects of the distribution of glandular tissues in breast with Geant4. The breast model was reversed in direction of compression to get a reverse model with a different distribution of glandular tissues. Depth dose distributions and glandular tissue dose conversion coefficients were calculated. It revealed that the conversion coefficients were about 10% larger when the breast model was reversed, for glandular tissues in the reverse model are concentrated in the upper part of the model.

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

DOE PAGES

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

2018-04-24

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-Molecular Dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients; we use this approach to examine atomic condensation onto 6-56 atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity ( v) between atom and cluster andmore » the initial impact parameter ( b). In all cases there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms, and for 14 atom and 28 atom Mg clusters, as cluster equilibration temperature increases the condensation rate coefficient drops to values below the hard sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (> 1000 m s -1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). In conclusion, the presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.« less

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations.

PubMed

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J

2018-04-28

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s -1 ) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

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

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-Molecular Dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients; we use this approach to examine atomic condensation onto 6-56 atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity ( v) between atom and cluster andmore » the initial impact parameter ( b). In all cases there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms, and for 14 atom and 28 atom Mg clusters, as cluster equilibration temperature increases the condensation rate coefficient drops to values below the hard sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (> 1000 m s -1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). In conclusion, the presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.« less

Condensation and dissociation rates for gas phase metal clusters from molecular dynamics trajectory calculations

NASA Astrophysics Data System (ADS)

Yang, Huan; Goudeli, Eirini; Hogan, Christopher J.

2018-04-01

In gas phase synthesis systems, clusters form and grow via condensation, in which a monomer binds to an existing cluster. While a hard-sphere equation is frequently used to predict the condensation rate coefficient, this equation neglects the influences of potential interactions and cluster internal energy on the condensation process. Here, we present a collision rate theory-molecular dynamics simulation approach to calculate condensation probabilities and condensation rate coefficients. We use this approach to examine atomic condensation onto 6-56-atom Au and Mg clusters. The probability of condensation depends upon the initial relative velocity (v) between atom and cluster and the initial impact parameter (b). In all cases, there is a well-defined region of b-v space where condensation is highly probable, and outside of which the condensation probability drops to zero. For Au clusters with more than 10 atoms, we find that at gas temperatures in the 300-1200 K range, the condensation rate coefficient exceeds the hard-sphere rate coefficient by a factor of 1.5-2.0. Conversely, for Au clusters with 10 or fewer atoms and for 14- and 28-atom Mg clusters, as cluster equilibration temperature increases, the condensation rate coefficient drops to values below the hard-sphere rate coefficient. Calculations also yield the self-dissociation rate coefficient, which is found to vary considerably with gas temperature. Finally, calculations results reveal that grazing (high b) atom-cluster collisions at elevated velocity (>1000 m s-1) can result in the colliding atom rebounding (bounce) from the cluster surface or binding while another atom dissociates (replacement). The presented method can be applied in developing rate equations to predict material formation and growth rates in vapor phase systems.

Modelling of plasma-based dry reforming: how do uncertainties in the input data affect the calculation results?

NASA Astrophysics Data System (ADS)

Wang, Weizong; Berthelot, Antonin; Zhang, Quanzhi; Bogaerts, Annemie

2018-05-01

One of the main issues in plasma chemistry modeling is that the cross sections and rate coefficients are subject to uncertainties, which yields uncertainties in the modeling results and hence hinders the predictive capabilities. In this paper, we reveal the impact of these uncertainties on the model predictions of plasma-based dry reforming in a dielectric barrier discharge. For this purpose, we performed a detailed uncertainty analysis and sensitivity study. 2000 different combinations of rate coefficients, based on the uncertainty from a log-normal distribution, are used to predict the uncertainties in the model output. The uncertainties in the electron density and electron temperature are around 11% and 8% at the maximum of the power deposition for a 70% confidence level. Still, this can have a major effect on the electron impact rates and hence on the calculated conversions of CO2 and CH4, as well as on the selectivities of CO and H2. For the CO2 and CH4 conversion, we obtain uncertainties of 24% and 33%, respectively. For the CO and H2 selectivity, the corresponding uncertainties are 28% and 14%, respectively. We also identify which reactions contribute most to the uncertainty in the model predictions. In order to improve the accuracy and reliability of plasma chemistry models, we recommend using only verified rate coefficients, and we point out the need for dedicated verification experiments.

A DISCUSSION ON DIFFERENT APPROACHES FOR ASSESSING LIFETIME RISKS OF RADON-INDUCED LUNG CANCER.

PubMed

Chen, Jing; Murith, Christophe; Palacios, Martha; Wang, Chunhong; Liu, Senlin

2017-11-01

Lifetime risks of radon induced lung cancer were assessed based on epidemiological approaches for Canadian, Swiss and Chinese populations, using the most recent vital statistic data and radon distribution characteristics available for each country. In the risk calculation, the North America residential radon risk model was used for the Canadian population, the European residential radon risk model for the Swiss population, the Chinese residential radon risk model for the Chinese population, and the EPA/BEIR-VI radon risk model for all three populations. The results were compared with the risk calculated from the International Commission on Radiological Protection (ICRP)'s exposure-to-risk conversion coefficients. In view of the fact that the ICRP coefficients were recommended for radiation protection of all populations, it was concluded that, generally speaking, lifetime absolute risks calculated with ICRP-recommended coefficients agree reasonably well with the range of radon induced lung cancer risk predicted by risk models derived from epidemiological pooling analyses. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

A conversion method of air kerma from the primary, scatter, and leakage radiations to effective dose for calculating x-ray shielding barriers in mammography

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

Kharrati, Hedi

2005-05-01

In this study, a new approach has been introduced for derivation of the effective dose from air kerma to calculate shielding requirements in mammography facilities. This new approach has been used to compute the conversion coefficients relating air kerma to the effective dose for the mammography reference beam series of the Netherlands Metrology Institute Van Swinden Laboratorium, National Institute of Standards and Technology, and International Atomic Energy Agency laboratories. The results show that, in all cases, the effective dose in mammography energy range is less than 25% of the incident air kerma for the primary and the scatter radiations andmore » does not exceed 75% for the leakage radiation.« less

A generic biokinetic model for noble gases with application to radon

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

Leggett, Richard Wayne; Marsh, James; Gregoratto, Demetrio

The International Commission for Radiological Protection (ICRP) currently uses a dose conversion coefficient to calculate effective dose per unit exposure to radon and its progeny. The coefficient is derived by dividing the detriment associated with unit exposure to radon, as estimated from epidemiological studies, by the detriment per unit effective dose, as estimated mainly from atomic bomb survivor data and animal studies. In a recent statement the ICRP indicated that future guidance on exposure to radon and its progeny will be developed in the same way as guidance for any other radionuclide. That is, intake of radon and progeny willmore » be limited on the basis of effective dose coefficients derived from biokinetic and dosimetric models. This paper proposes a biokinetic model for systemic (absorbed) radon for use in the calculation of dose coefficients for inhaled or ingested radon. The model is based largely on physical laws governing transfer of a non-reactive and soluble gas between materials. Model predictions are shown to be consistent with results of controlled studies of the fate of internally deposited radon in human subjects.« less

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

Tom, N.; Lawson, M.; Yu, Y. H.

WEC-Sim is a midfidelity numerical tool for modeling wave energy conversion devices. The code uses the MATLAB SimMechanics package to solve multibody dynamics and models wave interactions using hydrodynamic coefficients derived from frequency-domain boundary-element methods. This paper presents the new modeling features introduced in the latest release of WEC-Sim. The first feature discussed conversion of the fluid memory kernel to a state-space form. This enhancement offers a substantial computational benefit after the hydrodynamic body-to-body coefficients are introduced and the number of interactions increases exponentially with each additional body. Additional features include the ability to calculate the wave-excitation forces based onmore » the instantaneous incident wave angle, allowing the device to weathervane, as well as import a user-defined wave elevation time series. A review of the hydrodynamic theory for each feature is provided and the successful implementation is verified using test cases.« less

COMPILATION OF CONVERSION COEFFICIENTS FOR THE DOSE TO THE LENS OF THE EYE

PubMed Central

2017-01-01

Abstract A compilation of fluence-to-absorbed dose conversion coefficients for the dose to the lens of the eye is presented. The compilation consists of both previously published data and newly calculated values: photon data (5 keV–50 MeV for both kerma approximation and full electron transport), electron data (10 keV–50 MeV), and positron data (1 keV–50 MeV) – neutron data will be published separately. Values are given for angles of incidence from 0° up to 90° in steps of 15° and for rotational irradiation. The data presented can be downloaded from this article's website and they are ready for use by Report Committee (RC) 26. This committee has been set up by the International Commission on Radiation Units and Measurements (ICRU) and is working on a ‘proposal for a redefinition of the operational quantities for external radiation exposure’. PMID:27542816

Self-Inversion of the Image of a Small-Scale Opaque Object in the Process of Focusing of the Illuminating Beam in an Absorbing Medium

NASA Astrophysics Data System (ADS)

Bubis, E. L.; Lozhrkarev, V. V.; Stepanov, A. N.; Smirnov, A. I.; Martynov, V. O.; Mal'shakova, O. A.; Silin, D. E.; Gusev, S. A.

2017-03-01

We describe the process of adaptive self-inversion of an image (nonlinear switching) of smallscale opaque object, when the amplitude-modulated laser beam, which illuminates it, is focused in a weakly absorbing medium. It is shown that, despite the nonlocal character of the process, which is due to thermal nonlinearity, the brightness-inverse image is characterized by acceptable quality and a high conversion coefficient. It is shown that the coefficient of conversion of the original image to the inverse one depends on the ratio of the object dimensions and the size of the illuminating beam, and decreases sharply for relatively large objects. The obtained experimental data agree with the numerical calculations. Inversion of the images of several model objects and microdefects in a nonlinear KDP crystal is demonstrated.

Mean glandular dose to patients from stereotactic breast biopsy procedures.

PubMed

Paixão, Lucas; Chevalier, Margarita; Hurtado-Romero, Antonio E; Garayoa, Julia

2018-06-07

The aim of this work is to study the radiation doses delivered to a group of patients that underwent a stereotactic breast biopsy (SBB) procedure. Mean glandular doses (MGD) were estimated from the air-kerma measured at the breast surface entrance multiplying by specific conversion coefficients (DgN) that were estimated using Monte Carlo simulations. DgN were calculated for the 0º and ±15º projections used in SBB and for the particular beam quality. Data on 61 patients were collected showing that a typical SBB procedure is composed by 10 images. MGD was on average (4 ± 2) mGy with (0.38 ± 0.06) mGy per image. The use of specific conversion coefficients instead of typical DgN for mammography/tomosynthesis yields to obtain MGD values for SBB that are around a 65% lower on average. © 2018 Institute of Physics and Engineering in Medicine.

NONLINEAR AND FIBER OPTICS: Conversion of pulsed laser radiation from the 9.3-9.6 μm range to the second harmonic in ZnGeP2 crystals

NASA Astrophysics Data System (ADS)

Andreev, Yu M.; Bykanov, A. N.; Gribenyukov, A. I.; Zuev, V. V.; Karyshev, V. D.; Kisletsov, A. V.; Kovalev, I. O.; Konov, Vitalii I.; Kuz'min, G. P.; Nesterenko, A. A.; Osorgin, A. E.; Starodumov, Yu M.; Chapliev, N. I.

1990-04-01

A pulsed TEA CO2 laser was used in an investigation of the influence of the pump radiation parameters (mode composition, wavelength, pulse duration), of the focusing conditions, of the properties of the material (absorption coefficient), and of the operating conditions (temperature) on the efficiency of conversion to the second harmonic and on the angular dependences of phase matching in ZnGeP2 crystals. The calculated results were found to be in good agreement with the experimental data.

Dose conversion factors for radon: recent developments.

PubMed

Marsh, James W; Harrison, John D; Laurier, Dominique; Blanchardon, Eric; Paquet, François; Tirmarche, Margot

2010-10-01

Epidemiological studies of the occupational exposure of miners and domestic exposures of the public have provided strong and complementary evidence of the risks of lung cancer following inhalation of radon progeny. Recent miner epidemiological studies, which include low levels of exposure, long duration of follow-up, and good quality of individual exposure data, suggest higher risks of lung cancer per unit exposure than assumed previously by the International Commission on Radiological Protection (ICRP). Although risks can be managed by controlling exposures, dose estimates are required for the control of occupational exposures and are also useful for comparing sources of public exposure. Currently, ICRP calculates doses from radon and its progeny using dose conversion factors from exposure (WLM) to dose (mSv) based on miner epidemiological studies, referred to as the epidemiological approach. Revision of these dose conversion factors using risk estimates based on the most recent epidemiological data gives values that are in good agreement with the results of calculations using ICRP biokinetic and dosimetric models, the dosimetric approach. ICRP now proposes to treat radon progeny in the same way as other radionuclides and to publish dose coefficients calculated using models, for use within the ICRP system of protection.

Contributions of poroelastic-wave potentials to seismoelectromagnetic wavefields and validity of the quasi-static calculation: a view from a borehole model

NASA Astrophysics Data System (ADS)

Guan, Wei; Shi, Peng; Hu, Hengshan

2018-01-01

In this study, we theoretically analyse the contributions of the four poroelastic-wave potentials to seismoelectromagnetic (SEM) wavefields, verify the validity of the quasi-static calculation of the electric field and provide a method to calculate the magnetic field by using the curl-free electric field. Calculations show that both the fast and slow P waves and the SH and SV waves have non-negligible contributions to the SEM fields. The S waves have indirect contribution to the electric field through the EM conversion from the magnetic field, although the direct contribution due to streaming current is negligible if EM wavenumbers are much smaller than those of the S waves. The P waves have indirect contribution to the magnetic field through EM conversion from the electric field, although the direct contribution is absent. The quasi-static calculation of the electric field is practicable since it is normally satisfied in reality that the EM wavenumbers are much smaller than those of poroelastic waves. While the direct contribution of the S waves and the higher-order EM conversions are ignored, the first-order EM conversion from the S-wave-induced magnetic field is reserved through the continuity of the electric-current density. To calculate the magnetic field on this basis, we separate the quasi-static electric field into a rotational and an irrotational part. The magnetic-field solutions are derived through Hertz vectors in which the coefficients of the magnetic Hertz vector are determined from the magnetic-field continuities and those of the electric Hertz vector originate from the irrotational part of the quasi-static electric field.

Conceptual Designing of a Reduced Moderation Pressurized Water Reactor by Use of MVP and MVP-BURN

NASA Astrophysics Data System (ADS)

Kugo, T.

A conceptual design of a seed-blanket assembly PWR core with a complicated geometry and a strong heterogeneity has been carried forward by use of the continuous-energy Monte Carlo method. Through parametric survey calculations by repeated use of MVP and a lattice burn-up calculation by MVP-BURN, a seed-blanket assembly configuration suitable for a concept of RMWR has been established, by evaluating precisely reactivity, a conversion ratio and a coolant void reactivity coefficient in a realistic computation time on a super computer.

"Spin-dependent" \\varvec{μ → e} conversion on light nuclei

NASA Astrophysics Data System (ADS)

Davidson, Sacha; Kuno, Yoshitaka; Saporta, Albert

2018-02-01

The experimental sensitivity to μ → e conversion will improve by four or more orders of magnitude in coming years, making it interesting to consider the "spin-dependent" (SD) contribution to the rate. This process does not benefit from the atomic-number-squared enhancement of the spin-independent (SI) contribution, but probes different operators. We give details of our recent estimate of the spin-dependent rate, expressed as a function of operator coefficients at the experimental scale. Then we explore the prospects for distinguishing coefficients or models by using different targets, both in an EFT perspective, where a geometric representation of different targets as vectors in coefficient space is introduced, and also in three leptoquark models. It is found that comparing the rate on isotopes with and without spin could allow one to detect spin-dependent coefficients that are at least a factor of few larger than the spin-independent ones. Distinguishing among the axial, tensor and pseudoscalar operators that induce the SD rate would require calculating the nuclear matrix elements for the second two. Comparing the SD rate on nuclei with an odd proton vs. odd neutron could allow one to distinguish operators involving u quarks from those involving d quarks; this is interesting because the distinction is difficult to make for SI operators.

Equivalent circuit model of converse magnetoelectric effect for the tri-layer magnetoelectric laminates with thermal and stress loadings

NASA Astrophysics Data System (ADS)

Zhou, Hao-Miao; Li, Meng-Han; Liu, Hui; Cui, Xiao-Le

2015-12-01

For the converse magnetoelectric coupling effect of the piezoelectric/magnetostrictive/piezoelectric tri-layer symmetric magnetoelectric laminates, based on the nonlinear thermo-magneto-mechanical constitutive equations of the giant magnetostrictive materials and the thermo-electro-mechanical constitutive equations of the piezoelectric materials, according to Newton's second law and the magnetic circuit theorem, an equivalent circuit is established. Then an expression of the converse magnetoelectric coefficient describing nonlinear thermo-magneto-electro-mechanical coupling is established. The curve of the nonlinear converse magnetoelectric coefficient versus the bias magnetic field, is predicted effectively by the expression, and the predictions are in good agreement with the experimental result both qualitatively and quantitatively. Furthermore, the model can predict the complex influences of the bias magnetic field, the stress and the ambient temperature on the converse magnetoelectric coefficient. It can be found from these predictions that the converse magnetoelectric coefficient decreases with the increasing temperature and increases with the increasing tensile stress. Under the common effect of the ambient temperature and the stress, it is also found that the converse magnetoelectric coefficient changes sharply with the ambient temperature when the tensile stress is applied on the laminates, but it has a good stability of temperature when a large compressive stress is applied. Therefore, this work contributes to the researches on the giant converse magnetoelectric coefficient and the designs of magnetoelectric devices based on the converse magnetoelectric coupling.

Fully Controllable Pancharatnam-Berry Metasurface Array with High Conversion Efficiency and Broad Bandwidth

PubMed Central

Liu, Chuanbao; Bai, Yang; Zhao, Qian; Yang, Yihao; Chen, Hongsheng; Zhou, Ji; Qiao, Lijie

2016-01-01

Metasurfaces have powerful abilities to manipulate the properties of electromagnetic waves flexibly, especially the modulation of polarization state for both linearly polarized (LP) and circularly polarized (CP) waves. However, the transmission efficiency of cross-polarization conversion by a single-layer metasurface has a low theoretical upper limit of 25% and the bandwidth is usually narrow, which cannot be resolved by their simple additions. Here, we efficiently manipulate polarization coupling in multilayer metasurface to promote the transmission of cross-polarization by Fabry-Perot resonance, so that a high conversion coefficient of 80–90% of CP wave is achieved within a broad bandwidth in the metasurface with C-shaped scatters by theoretical calculation, numerical simulation and experiments. Further, fully controlling Pancharatnam-Berry phase enables to realize polarized beam splitter, which is demonstrated to produce abnormal transmission with high conversion efficiency and broad bandwidth. PMID:27703254

Dose conversion coefficients for electron exposure of the human eye lens

NASA Astrophysics Data System (ADS)

Behrens, R.; Dietze, G.; Zankl, M.

2009-07-01

Recent epidemiological studies suggest a rather low dose threshold (below 0.5 Gy) for the induction of a cataract of the eye lens. Some other studies even assume that there is no threshold at all. Therefore, protection measures have to be optimized and current dose limits for the eye lens may be reduced in the future. Two questions arise from this situation: first, which dose quantity is related to the risk of developing a cataract, and second, which personal dose equivalent quantity is appropriate for monitoring this dose quantity. While the dose equivalent quantity Hp(0.07) has often been seen as being sufficiently accurate for monitoring the dose to the lens of the eye, this would be questionable in the case when the dose limits were reduced and, thus, it may be necessary to generally use the dose equivalent quantity Hp(3) for this purpose. The basis for a decision, however, must be the knowledge of accurate conversion coefficients from fluence to equivalent dose to the lens. This is especially important for low-penetrating radiation, for example, electrons. Formerly published values of conversion coefficients are based on quite simple models of the eye. In this paper, quite a sophisticated model of the eye including the inner structure of the lens was used for the calculations and precise conversion coefficients for electrons with energies between 0.2 MeV and 12 MeV, and for angles of radiation incidence between 0° and 45° are presented. Compared to the values adopted in 1996 by the International Commission on Radiological Protection (ICRP), the new values are up to 1000 times smaller for electron energies below 1 MeV, nearly equal at 1 MeV and above 4 MeV, and by a factor of 1.5 larger at about 1.5 MeV electron energy.

Dose conversion coefficients for electron exposure of the human eye lens.

PubMed

Behrens, R; Dietze, G; Zankl, M

2009-07-07

Recent epidemiological studies suggest a rather low dose threshold (below 0.5 Gy) for the induction of a cataract of the eye lens. Some other studies even assume that there is no threshold at all. Therefore, protection measures have to be optimized and current dose limits for the eye lens may be reduced in the future. Two questions arise from this situation: first, which dose quantity is related to the risk of developing a cataract, and second, which personal dose equivalent quantity is appropriate for monitoring this dose quantity. While the dose equivalent quantity H(p)(0.07) has often been seen as being sufficiently accurate for monitoring the dose to the lens of the eye, this would be questionable in the case when the dose limits were reduced and, thus, it may be necessary to generally use the dose equivalent quantity H(p)(3) for this purpose. The basis for a decision, however, must be the knowledge of accurate conversion coefficients from fluence to equivalent dose to the lens. This is especially important for low-penetrating radiation, for example, electrons. Formerly published values of conversion coefficients are based on quite simple models of the eye. In this paper, quite a sophisticated model of the eye including the inner structure of the lens was used for the calculations and precise conversion coefficients for electrons with energies between 0.2 MeV and 12 MeV, and for angles of radiation incidence between 0 degrees and 45 degrees are presented. Compared to the values adopted in 1996 by the International Commission on Radiological Protection (ICRP), the new values are up to 1000 times smaller for electron energies below 1 MeV, nearly equal at 1 MeV and above 4 MeV, and by a factor of 1.5 larger at about 1.5 MeV electron energy.

Defining the Ecological Coefficient of Performance for an Aircraft Propulsion System

NASA Astrophysics Data System (ADS)

Şöhret, Yasin

2018-05-01

The aircraft industry, along with other industries, is considered responsible these days regarding environmental issues. Therefore, the performance evaluation of aircraft propulsion systems should be conducted with respect to environmental and ecological considerations. The current paper aims to present the ecological coefficient of performance calculation methodology for aircraft propulsion systems. The ecological coefficient performance is a widely-preferred performance indicator of numerous energy conversion systems. On the basis of thermodynamic laws, the methodology used to determine the ecological coefficient of performance for an aircraft propulsion system is parametrically explained and illustrated in this paper for the first time. For a better understanding, to begin with, the exergy analysis of a turbojet engine is described in detail. Following this, the outputs of the analysis are employed to define the ecological coefficient of performance for a turbojet engine. At the end of the study, the ecological coefficient of performance is evaluated parametrically and discussed depending on selected engine design parameters and performance measures. The author asserts the ecological coefficient of performance to be a beneficial indicator for researchers interested in aircraft propulsion system design and related topics.

Comparison of conversion coefficients for equivalent dose in terms of air kerma for photons using a male adult voxel simulator in sitting and standing posture with geometry of irradiation antero-posterior

NASA Astrophysics Data System (ADS)

Galeano, D. C.; Cavalcante, F. R.; Carvalho, A. B.; Hunt, J.

2014-02-01

The dose conversion coefficient (DCC) is important to quantify and assess effective doses associated with medical, professional and public exposures. The calculation of DCCs using anthropomorphic simulators and radiation transport codes is justified since in-vivo measurement of effective dose is extremely difficult and not practical for occupational dosimetry. DCCs have been published by the ICRP using simulators in a standing posture, which is not always applicable to all exposure scenarios, providing an inaccurate dose estimation. The aim of this work was to calculate DCCs for equivalent dose in terms of air kerma (H/Kair) using the Visual Monte Carlo (VMC) code and the VOXTISS8 adult male voxel simulator in sitting and standing postures. In both postures, the simulator was irradiated by a plane source of monoenergetic photons in antero-posterior (AP) geometry. The photon energy ranged from 15 keV to 2 MeV. The DCCs for both postures were compared and the DCCs for the standing simulator were higher. For certain organs, the difference of DCCs were more significant, as in gonads (48% higher), bladder (16% higher) and colon (11% higher). As these organs are positioned in the abdominal region, the posture of the anthropomorphic simulator modifies the form in which the radiation is transported and how the energy is deposited. It was also noted that the average percentage difference of conversion coefficients was 33% for the bone marrow, 11% for the skin, 13% for the bone surface and 31% for the muscle. For other organs, the percentage difference of the DCCs for both postures was not relevant (less than 5%) due to no anatomical changes in the organs of the head, chest and upper abdomen. We can conclude that is important to obtain DCCs using different postures from those present in the scientific literature.

Voxel2MCNP: a framework for modeling, simulation and evaluation of radiation transport scenarios for Monte Carlo codes.

PubMed

Pölz, Stefan; Laubersheimer, Sven; Eberhardt, Jakob S; Harrendorf, Marco A; Keck, Thomas; Benzler, Andreas; Breustedt, Bastian

2013-08-21

The basic idea of Voxel2MCNP is to provide a framework supporting users in modeling radiation transport scenarios using voxel phantoms and other geometric models, generating corresponding input for the Monte Carlo code MCNPX, and evaluating simulation output. Applications at Karlsruhe Institute of Technology are primarily whole and partial body counter calibration and calculation of dose conversion coefficients. A new generic data model describing data related to radiation transport, including phantom and detector geometries and their properties, sources, tallies and materials, has been developed. It is modular and generally independent of the targeted Monte Carlo code. The data model has been implemented as an XML-based file format to facilitate data exchange, and integrated with Voxel2MCNP to provide a common interface for modeling, visualization, and evaluation of data. Also, extensions to allow compatibility with several file formats, such as ENSDF for nuclear structure properties and radioactive decay data, SimpleGeo for solid geometry modeling, ImageJ for voxel lattices, and MCNPX's MCTAL for simulation results have been added. The framework is presented and discussed in this paper and example workflows for body counter calibration and calculation of dose conversion coefficients is given to illustrate its application.

COMPILATION OF CONVERSION COEFFICIENTS FOR THE DOSE TO THE LENS OF THE EYE.

PubMed

Behrens, R

2017-04-28

A compilation of fluence-to-absorbed dose conversion coefficients for the dose to the lens of the eye is presented. The compilation consists of both previously published data and newly calculated values: photon data (5 keV-50 MeV for both kerma approximation and full electron transport), electron data (10 keV-50 MeV), and positron data (1 keV-50 MeV) - neutron data will be published separately. Values are given for angles of incidence from 0° up to 90° in steps of 15° and for rotational irradiation. The data presented can be downloaded from this article's website and they are ready for use by Report Committee (RC) 26. This committee has been set up by the International Commission on Radiation Units and Measurements (ICRU) and is working on a 'proposal for a redefinition of the operational quantities for external radiation exposure'. © The Author 2016. Published by Oxford University Press.

Calculation of conversion coefficients using Chinese adult reference phantoms for air submersion and ground contamination.

PubMed

Lu, Wei; Qiu, Rui; Wu, Zhen; Li, Chunyan; Yang, Bo; Liu, Huan; Ren, Li; Li, Junli

2017-03-21

The effective and organ equivalent dose coefficients have been widely used to provide assessment of doses received by adult members of the public and by workers exposed to environmental radiation from nuclear facilities under normal or accidental situations. Advancements in phantom types, weighting factors, decay data, etc, have led to the publication of newer results in this regard. This paper presents a new set of conversion coefficients for air submersion and ground contamination (with the use of Geant4) for photons from 15 keV to 10 MeV using the Chinese and International Commission on Radiological Protection (ICRP) adult reference male and female phantoms. The radiation fields, except for energy spectrum at low energies, were validated by the data obtained from the Monte Carlo code YURI. The effective dose coefficients of monoenergetic photons, obtained for the ICRP adult reference phantoms, agree well with recently published data for air submersion and ground contamination with a plane source at a depth of 0.5 g cm -2 in soil, but an average difference of 36.5% is observed for ground surface contamination with the abovementioned radiation field. The average differences in organ equivalent dose coefficients between the Chinese and the ICRP adult reference phantoms are within 6% for most organs, but noticeable differences of up to 70% or even higher are found at photon energies below 30 keV under air submersion. The effective dose coefficients obtained with the Chinese adult reference phantoms are greater than those of the ICRP adult reference phantoms above 30 keV and 0.5 MeV for ground contamination and air submersion, respectively; the average differences from the Chinese adult reference phantoms are about 3.6% and 0.4% in the whole energy range with maximum differences of 31.8% and 27.6% at 15 keV for air submersion and ground contamination respectively. These differences are attributed to anatomical discrepancies in overlying tissue mass of an individual organ and the body mass between the Chinese and the ICRP adult reference phantoms. These monoenergetic photon conversion coefficients are subsequently used to evaluate radionuclides with decay data from ICRP publication 107.

Calculation of conversion coefficients using Chinese adult reference phantoms for air submersion and ground contamination

NASA Astrophysics Data System (ADS)

Lu, Wei; Qiu, Rui; Wu, Zhen; Li, Chunyan; Yang, Bo; Liu, Huan; Ren, Li; Li, Junli

2017-03-01

The effective and organ equivalent dose coefficients have been widely used to provide assessment of doses received by adult members of the public and by workers exposed to environmental radiation from nuclear facilities under normal or accidental situations. Advancements in phantom types, weighting factors, decay data, etc, have led to the publication of newer results in this regard. This paper presents a new set of conversion coefficients for air submersion and ground contamination (with the use of Geant4) for photons from 15 keV to 10 MeV using the Chinese and International Commission on Radiological Protection (ICRP) adult reference male and female phantoms. The radiation fields, except for energy spectrum at low energies, were validated by the data obtained from the Monte Carlo code YURI. The effective dose coefficients of monoenergetic photons, obtained for the ICRP adult reference phantoms, agree well with recently published data for air submersion and ground contamination with a plane source at a depth of 0.5 g cm-2 in soil, but an average difference of 36.5% is observed for ground surface contamination with the abovementioned radiation field. The average differences in organ equivalent dose coefficients between the Chinese and the ICRP adult reference phantoms are within 6% for most organs, but noticeable differences of up to 70% or even higher are found at photon energies below 30 keV under air submersion. The effective dose coefficients obtained with the Chinese adult reference phantoms are greater than those of the ICRP adult reference phantoms above 30 keV and 0.5 MeV for ground contamination and air submersion, respectively; the average differences from the Chinese adult reference phantoms are about 3.6% and 0.4% in the whole energy range with maximum differences of 31.8% and 27.6% at 15 keV for air submersion and ground contamination respectively. These differences are attributed to anatomical discrepancies in overlying tissue mass of an individual organ and the body mass between the Chinese and the ICRP adult reference phantoms. These monoenergetic photon conversion coefficients are subsequently used to evaluate radionuclides with decay data from ICRP publication 107.

The influence of patient size on dose conversion coefficients: a hybrid phantom study for adult cardiac catheterization

NASA Astrophysics Data System (ADS)

Johnson, Perry; Lee, Choonsik; Johnson, Kevin; Siragusa, Daniel; Bolch, Wesley E.

2009-06-01

In this study, the influence of patient size on organ and effective dose conversion coefficients (DCCs) was investigated for a representative interventional fluoroscopic procedure—cardiac catheterization. The study was performed using hybrid phantoms representing an underweight, average and overweight American adult male. Reference body sizes were determined using the NHANES III database and parameterized based on standing height and total body mass. Organ and effective dose conversion coefficients were calculated for anterior-posterior, posterior-anterior, left anterior oblique and right anterior oblique projections using the Monte Carlo code MCNPX 2.5.0 with the metric dose area product being used as the normalization factor. Results show body size to have a clear influence on DCCs which increased noticeably when body size decreased. It was also shown that if patient size is neglected when choosing a DCC, the organ and effective dose will be underestimated to an underweight patient and will be overestimated to an underweight patient, with errors as large as 113% for certain projections. Results were further compared with those published for a KTMAN-2 Korean patient-specific tomographic phantom. The published DCCs aligned best with the hybrid phantom which most closely matched in overall body size. These results highlighted the need for and the advantages of phantom-patient matching, and it is recommended that hybrid phantoms be used to create a more diverse library of patient-dependent anthropomorphic phantoms for medical dose reconstruction.

The dose from Compton backscatter screening.

PubMed

Rez, Peter; Metzger, Robert L; Mossman, Kenneth L

2011-04-01

Systems based on the detection of Compton backscattered X rays have been deployed for screening personnel for weapons and explosives. Similar principles are used for screening vehicles at border-crossing points. Based on well-established scattering cross sections and absorption coefficients in conjunction with reasonable estimates of the image contrast and resolution, the entrance skin dose and the dose at a depth of 1 cm can be calculated. The effective dose can be estimated using the same conversion coefficients as used to convert exposure measurements to the effective dose. It is shown that the effective dose is highly dependent on image resolution (i.e. pixel size).The effective doses for personnel screening systems are unlikely to be in compliance with the American National Standards Institute standard NS 43.17 unless the pixel sizes are >4 mm. Nevertheless, calculated effective doses are well below doses associated with health effects.

Organ dose conversion coefficients for voxel models of the reference male and female from idealized photon exposures

NASA Astrophysics Data System (ADS)

Schlattl, H.; Zankl, M.; Petoussi-Henss, N.

2007-04-01

A new series of organ equivalent dose conversion coefficients for whole body external photon exposure is presented for a standardized couple of human voxel models, called Rex and Regina. Irradiations from broad parallel beams in antero-posterior, postero-anterior, left- and right-side lateral directions as well as from a 360° rotational source have been performed numerically by the Monte Carlo transport code EGSnrc. Dose conversion coefficients from an isotropically distributed source were computed, too. The voxel models Rex and Regina originating from real patient CT data comply in body and organ dimensions with the currently valid reference values given by the International Commission on Radiological Protection (ICRP) for the average Caucasian man and woman, respectively. While the equivalent dose conversion coefficients of many organs are in quite good agreement with the reference values of ICRP Publication 74, for some organs and certain geometries the discrepancies amount to 30% or more. Differences between the sexes are of the same order with mostly higher dose conversion coefficients in the smaller female model. However, much smaller deviations from the ICRP values are observed for the resulting effective dose conversion coefficients. With the still valid definition for the effective dose (ICRP Publication 60), the greatest change appears in lateral exposures with a decrease in the new models of at most 9%. However, when the modified definition of the effective dose as suggested by an ICRP draft is applied, the largest deviation from the current reference values is obtained in postero-anterior geometry with a reduction of the effective dose conversion coefficient by at most 12%.

Exact Thermal Transport Properties of Gray-Arsenic using Electon-Phonon Coupling

NASA Astrophysics Data System (ADS)

Kang, Seoung-Hun; Kwon, Young-Kyun

Using various theoretical methods, we investigate the thermoelectric property of gray arsenic. Thermoelectric devices that utilize the Seebeck effect convert heat flow into electrical energy. The conversion efficiency of such a device is determined by its figure of merit or ZT value, which is related to various transport coefficients, such as Seebeck coefficient and the ratio of its electrical conductivity to its thermal counterpart for given temperature. To calculate various transport coefficients and thus the ZT values of gray arsenic, we apply the Boltzmann transport theory to its electronic and phononic structures obtained by density functional theory and density functional perturbation theory together with maximally locallized Wannier functions. During this procedure, we evaluate its relaxation time accurately by explicitly considering electron-phonon coupling. Our result reveals that gray arsenic may be used for a good p-type thermoelectric devices.

Investigation of the Performance of D 2O-Cooled High-Conversion Reactors for Fuel Cycle Calculations

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

Hiruta, Hikaru; Youinou, Gilles

2013-09-01

This report presents FY13 activities for the analysis of D 2O cooled tight-pitch High-Conversion PWRs (HCPWRs) with U-Pu and Th-U fueled cores aiming at break-even or near breeder conditions while retaining the negative void reactivity. The analyses are carried out from several aspects which could not be covered in FY12 activities. SCALE 6.1 code system is utilized, and a series of simple 3D fuel pin-cell models are developed in order to perform Monte Carlo based criticality and burnup calculations. The performance of U-Pu fueled cores with axial and internal blankets is analyzed in terms of their impact on the relativemore » fissile Pu mass balance, initial Pu enrichment, and void coefficient. In FY12, Pu conversion performances of D 2O-cooled HCPWRs fueled with MOX were evaluated with small sized axial/internal DU blankets (approximately 4cm of axial length) in order to ensure the negative void reactivity, which evidently limits the conversion performance of HCPWRs. In this fiscal year report, the axial sizes of DU blankets are extended up to 30 cm in order to evaluate the amount of DU necessary to reach break-even and/or breeding conditions. Several attempts are made in order to attain the milestone of the HCPWR designs (i.e., break-even condition and negative void reactivity) by modeling of HCPWRs under different conditions such as boiling of D 2O coolant, MOX with different 235U enrichment, and different target burnups. A similar set of analyses are performed for Th-U fueled cores. Several promising characteristics of 233U over other fissile like 239Pu and 235U, most notably its higher fission neutrons per absorption in thermal and epithermal ranges combined with lower ___ in the fast range than 239Pu allows Th-U cores to be taller than MOX ones. Such an advantage results in 4% higher relative fissile mass balance than that of U-Pu fueled cores while retaining the negative void reactivity until the target burnup of 51 GWd/t. Several other distinctions between U-Pu and Th-U fueled cores are identified by evaluating the sensitivity coefficients of keff, mass balance, and void coefficient. The effect of advanced iron alloy cladding (i.e., FeCrAl) on the performance of Pu conversion in MOX fueled cores is studied instead of using standard stainless-steel cladding. Variations in clad thickness and coolant-to-fuel volume ratio are also exercised. The use of FeCrAl instead of SS as a cladding alloy reduces the required Pu enrichment and improves the Pu conversion rate primarily due to the absence of nickel in the cladding alloy that results in the reduction of the neutron absorption. Also the difference in void coefficients between SS and FeCrAl alloys is nearly 500 pcm over the entire burnup range. The report also shows sensitivity and uncertainty analyses in order to characterize D 2O cooled HCPWRs from different aspects. The uncertainties of integral parameters (keff and void coefficient) for selected reactor cores are evaluated at different burnup points in order to find similarities and trends respect to D 2O-HCPWR.« less

Polymers as Reference Partitioning Phase: Polymer Calibration for an Analytically Operational Approach To Quantify Multimedia Phase Partitioning.

PubMed

Gilbert, Dorothea; Witt, Gesine; Smedes, Foppe; Mayer, Philipp

2016-06-07

Polymers are increasingly applied for the enrichment of hydrophobic organic chemicals (HOCs) from various types of samples and media in many analytical partitioning-based measuring techniques. We propose using polymers as a reference partitioning phase and introduce polymer-polymer partitioning as the basis for a deeper insight into partitioning differences of HOCs between polymers, calibrating analytical methods, and consistency checking of existing and calculation of new partition coefficients. Polymer-polymer partition coefficients were determined for polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), and organochlorine pesticides (OCPs) by equilibrating 13 silicones, including polydimethylsiloxane (PDMS) and low-density polyethylene (LDPE) in methanol-water solutions. Methanol as cosolvent ensured that all polymers reached equilibrium while its effect on the polymers' properties did not significantly affect silicone-silicone partition coefficients. However, we noticed minor cosolvent effects on determined polymer-polymer partition coefficients. Polymer-polymer partition coefficients near unity confirmed identical absorption capacities of several PDMS materials, whereas larger deviations from unity were indicated within the group of silicones and between silicones and LDPE. Uncertainty in polymer volume due to imprecise coating thickness or the presence of fillers was identified as the source of error for partition coefficients. New polymer-based (LDPE-lipid, PDMS-air) and multimedia partition coefficients (lipid-water, air-water) were calculated by applying the new concept of a polymer as reference partitioning phase and by using polymer-polymer partition coefficients as conversion factors. The present study encourages the use of polymer-polymer partition coefficients, recognizing that polymers can serve as a linking third phase for a quantitative understanding of equilibrium partitioning of HOCs between any two phases.

Technical Note: Relation between dual-energy subtraction of CT images for electron density calibration and virtual monochromatic imaging.

PubMed

Saito, Masatoshi

2015-07-01

For accurate tissue inhomogeneity correction in radiotherapy treatment planning, the author previously proposed a simple conversion of the energy-subtracted computed tomography (CT) number to an electron density (ΔHU-ρe conversion), which provides a single linear relationship between ΔHU and ρe over a wide ρe range. The purpose of the present study was to reveal the relation between the ΔHU image for ρe calibration and a virtually monochromatic CT image by performing numerical analyses based on the basis material decomposition in dual-energy CT. The author determined the weighting factor, α0, of the ΔHU-ρe conversion through numerical analyses of the International Commission on Radiation Units and Measurements Report-46 human body tissues using their attenuation coefficients and given ρe values. Another weighting factor, α(E), for synthesizing a virtual monochromatic CT image from high- and low-kV CT images, was also calculated in the energy range of 0.03 < E < 5 MeV, assuming that cortical bone and water were the basis materials. The mass attenuation coefficients for these materials were obtained using the xcom photon cross sections database. The effective x-ray energies used to calculate the attenuation were chosen to imitate a dual-source CT scanner operated at 80-140 and 100-140 kV/Sn. The determined α0 values were 0.455 for 80-140 kV/Sn and 0.743 for 100-140 kV/Sn. These values coincided almost perfectly with the respective maximal points of the calculated α(E) curves located at approximately 1 MeV, in which the photon-matter interaction in human body tissues is exclusively the incoherent (Compton) scattering. The ΔHU image could be regarded substantially as a CT image acquired with monoenergetic 1-MeV photons, which provides a linear relationship between CT numbers and electron densities.

MTS-6 detectors calibration by using ²³⁹Pu-Be neutron source.

PubMed

Wrzesień, Małgorzata; Albiniak, Łukasz; Al-Hameed, Hiba

2017-10-17

Thermoluminescent detectors, type MTS-6, containing isotope ⁶Li (lithium) are sensitive in the range of thermal neutron energy; the ²³⁹Pu-Be (plutonium-and-beryllium) source emits neutrons in the energy range from 1 to 11 MeV. These seemingly contradictory elements may be combined by using the paraffin moderator, a determined density of thermal neutrons in the paraffin block and a conversion coefficient neutron flux to kerma, not forgetting the simultaneous registration of the photon radiation inseparable from the companion neutron radiation. The main aim of this work is to present the idea of calibration of thermoluminescent detectors that consist of a ⁶Li isotope, by using ²³⁹Pu-Be neutron radiation source. In this work, MTS-6 and MTS-7 thermoluminescent detectors and a plutonium-and-beryllium (²³⁹Pu-Be) neutron source were used. Paraffin wax fills the block, acting as a moderator. The calibration idea was based on the determination of dose equivalent rate based on the average kerma rate calculated taking into account the empirically determined function describing the density of thermal neutron flux in the paraffin block and a conversion coefficient neutron flux to kerma. The calculated value of the thermal neutron flux density was 1817.5 neutrons/cm²/s and the average value of kerma rate determined on this basis amounted to 244 μGy/h, and the dose equivalent rate 610 μSv/h. The calculated value allowed for the assessment of the length of time of exposure of the detectors directly in the paraffin block. The calibration coefficient for the used batch of detectors is (6.80±0.42)×10^-7 Sv/impulse. Med Pr 2017;68(6):705-710. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

Towards spontaneous parametric down-conversion at low temperatures

NASA Astrophysics Data System (ADS)

Akatiev, Dmitrii; Boldyrev, Kirill; Kuzmin, Nikolai; Latypov, Ilnur; Popova, Marina; Shkalikov, Andrey; Kalachev, Alexey

2017-10-01

The possibility of observing spontaneous parametric down-conversion in doped nonlinear crystals at low temperatures, which would be useful for combining heralded single-photon sources and quantum memories, is studied theoretically. The ordinary refractive index of a lithium niobate crystal doped with magnesium oxide LiNbO3:MgO is measured at liquid nitrogen and helium temperatures. On the basis of the experimental data, the coefficients of the Sellmeier equation are determined for the temperatures from 5 to 300 K. In addition, a poling period of the nonlinear crystal has been calculated for observing type-0 spontaneous parametric down-conversion (ooo-synchronism) at the liquid helium temperature under pumping at the wavelength of λp = 532 nm and emission of the signal field at the wavelength of λs = 794 nm, which corresponds to the resonant absorption line of Tm3+ doped ions.

Oxygen self-diffusion in ThO 2 under pressure: Connecting point defect parameters with bulk properties

DOE PAGES

Cooper, Michael William D.; Fitzpatrick, M. E.; Tsoukalas, L. H.; ...

2016-06-06

ThO 2 is a candidate material for use in nuclear fuel applications and as such it is important to investigate its materials properties over a range of temperatures and pressures. In the present study molecular dynamics calculations are used to calculate elastic and expansivity data. These are used in the framework of a thermodynamic model, the cBΩ model, to calculate the oxygen self-diffusion coefficient in ThO 2 over a range of pressures (–10–10 GPa) and temperatures (300–1900 K). As a result, increasing the hydrostatic pressure leads to a significant reduction in oxygen self-diffusion. Conversely, negative hydrostatic pressure significantly enhances oxygenmore » self-diffusion.« less

Fluence-to-absorbed-dose conversion coefficients for neutron beams from 0.001 eV to 100 GeV calculated for a set of pregnant female and fetus models

NASA Astrophysics Data System (ADS)

Taranenko, Valery; Xu, X. George

2008-03-01

Protection of fetuses against external neutron exposure is an important task. This paper reports a set of absorbed dose conversion coefficients for fetal and maternal organs for external neutron beams using the RPI-P pregnant female models and the MCNPX code. The newly developed pregnant female models represent an adult female with a fetus including its brain and skeleton at the end of each trimester. The organ masses were adjusted to match the reference values within 1%. For the 3 mm cubic voxel size, the models consist of 10-15 million voxels for 35 organs. External monoenergetic neutron beams of six standard configurations (AP, PA, LLAT, RLAT, ROT and ISO) and source energies 0.001 eV-100 GeV were considered. The results are compared with previous data that are based on simplified anatomical models. The differences in dose depend on source geometry, energy and gestation periods: from 20% up to 140% for the whole fetus, and up to 100% for the fetal brain. Anatomical differences are primarily responsible for the discrepancies in the organ doses. For the first time, the dependence of mother organ doses upon anatomical changes during pregnancy was studied. A maximum of 220% increase in dose was observed for the placenta in the nine months model compared to three months, whereas dose to the pancreas, small and large intestines decreases by 60% for the AP source for the same models. Tabulated dose conversion coefficients for the fetus and 27 maternal organs are provided.

Experimental Investigations of Direct and Converse Flexoelectric Effect in Bilayer Lipid Membranes.

NASA Astrophysics Data System (ADS)

Todorov, Angelio Todorov

Flexoelectric coefficients (direct and converse), electric properties (capacitance and resistivity) and mechanical properties (thickness and elastic coefficients) have been determined for bilayer lipid membranes (BLMs) prepared from egg yolk lecithin (EYL), glycerol monoleate (GMO), phosphatidyl choline (PC) and phosphatidyl serine (PS) as a function of frequency, pH and surface charge modifiers. Direct flexoelectric effect manifested itself in the development of microvolt range a.c. potential (U_{f}) upon subjecting one side of a BLM to an oscillating hydrostatic pressure, in the 100-1000 Hz range. Operationally, the flexoelectric coefficient (f) is expressed by the ratio between U_{f} and the change of curvature (c) which accompanied the flexing of the membrane. Membrane curvature was determined by means of either the electric method (capacitance microphone effect) or by the newly developed method of stroboscopic interferometry. Real-time stroboscopic interferometry coupled with simultaneous electric measurements, provided a direct method for the determination of f. Two different frequency regimes of f were recognized. At low frequencies (<300 Hz), associated with free mobility of the surfactant, f-values of 24.1 times 10^{-19} and 0.87 times 10^ {-19} Coulombs were obtained for PC and GMO BLMs. At high frequencies (>300 Hz), associated with blocked mobility of the surfactant, f-values of 16.5 times 10^ {-19} and 0.30 times 10^{-19} Coulombs were obtained for PC and GMO BLMs. The theoretically calculated value for the GMO BLM oscillating at high frequency (0.12 times 10^{-19 } Coulombs) agreed well with that determined experimentally (0.3 times 10 ^{-19} Coulombs). For charged bovine brain PS BLM the observed flexocoefficient was f = 4.0 times 10^{ -18} Coulombs. Converse flexoelectric effect manifested itself in voltage-induced BLM curvature. Observations were carried out on uranyl acetate (UA) stabilized PS BLM under a.c. excitation. Frequency dependence of f was revealed by means of real-time stroboscopic interferometry. Satisfactory agreement was observed between the direct and converse f-values, measured. Thus, both manifestations of flexoelectricity in BLMs have now received experimental confirmation. Theories developed in this dissertation (as well as those described previously) have been compared with and contrasted to the experimentally determined direct and converse flexoelectric coefficients.

Comparison of coal reactivityduring conversion into different oxidizing medium

NASA Astrophysics Data System (ADS)

Korotkikh, A. G.; Slyusarskiy, K. V.; Larionov, K. B.; Osipov, V. I.

2016-10-01

Acoal conversion process of different coal samples into three different types of oxidizing medium (argon, air and steam) were studied by means of thermogravimetry. Two coal types with different metamorphism degree (lignite and bituminous coal) were used. The experimental procedure was carried out in non-isothermal conditions in temperature range from 373 K to 1273 K with 20 K/min heating rate. Purge gas consisted of argon and oxidizer with volumetric ratio 1:24 and had 250 ml/min flow rate.The ignition and burnout indexes were calculated to evaluate sample reactivity at different oxidizing mediums. The highest reactivity coefficient values in same atmosphere were obtained for lignite. It was caused by higher particle special surface area and volatile matter content.

Compression of head-related transfer function using autoregressive-moving-average models and Legendre polynomials.

PubMed

Shekarchi, Sayedali; Hallam, John; Christensen-Dalsgaard, Jakob

2013-11-01

Head-related transfer functions (HRTFs) are generally large datasets, which can be an important constraint for embedded real-time applications. A method is proposed here to reduce redundancy and compress the datasets. In this method, HRTFs are first compressed by conversion into autoregressive-moving-average (ARMA) filters whose coefficients are calculated using Prony's method. Such filters are specified by a few coefficients which can generate the full head-related impulse responses (HRIRs). Next, Legendre polynomials (LPs) are used to compress the ARMA filter coefficients. LPs are derived on the sphere and form an orthonormal basis set for spherical functions. Higher-order LPs capture increasingly fine spatial details. The number of LPs needed to represent an HRTF, therefore, is indicative of its spatial complexity. The results indicate that compression ratios can exceed 98% while maintaining a spectral error of less than 4 dB in the recovered HRTFs.

An analytical two-flow model to simulate the distribution of irradiance in coastal waters with a wind-roughed surface and bottom reflectance

NASA Astrophysics Data System (ADS)

Ma, Wei-Ming

1997-06-01

An analytical two-flow model is derived from the radiative transfer equation to simulate the distribution of irradiance in coastal waters with a wind-roughed surface and bottom reflectance. The model utilizes unique boundary conditions, including the surface slope of the downwelling and upwelling irradiance as well as the influence of wind and bottom reflectance on simulated surface reflectance. The developed model provides a simple mathematical concept for understanding the irradiant light flux and associated processes in coastal or fresh water as well as turbid estuarine waters. The model is applied to data from the Banana River and coastal Atlantic Ocean water off the east coast of central Florida, USA. The two-flow irradiance model is capable of simulating realistic above-surface reflectance signatures under wind-roughened air-water surface given realistic input parameters including a specular flux conversion coefficient, absorption coefficient, backscattering coefficient, atmospheric visibility, bottom reflectance, and water depth. The root-mean-squared error of the calculated above-surface reflectances is approximately 3% in the Banana River and is less than 15% in coastal Atlantic Ocean off the east of Florida. Result of the subsurface reflectance sensitivity analysis indicates that the specular conversion coefficient is the most sensitive parameter in the model, followed by the beam attenuation coefficient, absorption coefficient, water depth, backscattering coefficient, specular irradiance, diffuse irradiance, bottom reflectance, and wind speed. On the other hand, result of the above-surface reflectance sensitivity analysis indicates that the wind speed is the most important parameter, followed by bottom reflectance, attenuation coefficient, water depth, conversion coefficient, specular irradiance, downwelling irradiance, absorption coefficient, and backscattering coefficient. Model results depend on the accuracy of these parameters to a large degree and more important the water depth and value of the bottom reflectance. The results of this work indicates little change of subsurface or in-water reflectances, due to variations of wind speed and observation angle. Simulations of the wind effect on the total downwelling irradiance from the two- flow model indicates that the total downwelling irradiance just below a wind-roughened water surface increases to about 1% of the total downwelling irradiance on a calm water surface when the sun is near zenith and increases to about 3% when the sun is near the horizon. This analytically based model, solved or developed utilizing the unique boundary conditions, can be applied to remote sensing of oceanic upper mixed layer dynamics, plant canopies, primary production, and shallow water environments with different bottom type reflectances. Future applications may include determining effects of sediment resuspension of bottom sediments in the bottom boundary layer on remotely sensed data.

A method for radiological characterization based on fluence conversion coefficients

NASA Astrophysics Data System (ADS)

Froeschl, Robert

2018-06-01

Radiological characterization of components in accelerator environments is often required to ensure adequate radiation protection during maintenance, transport and handling as well as for the selection of the proper disposal pathway. The relevant quantities are typical the weighted sums of specific activities with radionuclide-specific weighting coefficients. Traditional methods based on Monte Carlo simulations are radionuclide creation-event based or the particle fluences in the regions of interest are scored and then off-line weighted with radionuclide production cross sections. The presented method bases the radiological characterization on a set of fluence conversion coefficients. For a given irradiation profile and cool-down time, radionuclide production cross-sections, material composition and radionuclide-specific weighting coefficients, a set of particle type and energy dependent fluence conversion coefficients is computed. These fluence conversion coefficients can then be used in a Monte Carlo transport code to perform on-line weighting to directly obtain the desired radiological characterization, either by using built-in multiplier features such as in the PHITS code or by writing a dedicated user routine such as for the FLUKA code. The presented method has been validated against the standard event-based methods directly available in Monte Carlo transport codes.

Study of a high-precision SAW-MOEMS strain sensor with laser optics

NASA Astrophysics Data System (ADS)

Liu, Xinwei; Chen, Shufen; Li, Honglang; Zou, Zhengfeng; Fu, Lei; Meng, Yanbin

2015-02-01

A novel structure design of a surface acoustic wave (SAW) micro-optic-electro-mechanical-system (MOEMS) strain sensor with a light readout unit is presented in this paper. By measuring the polarization intensity ratio of the TE/TM mode outputted from the waveguide, the strain produced from an object can be measured precisely. The basic working principle of the SAW MOEMS strain sensor is introduced and the mathematical model of the strain sensor system is established. The SAW characteristics effected by the strain sensor are mathematically deduced. The coupling coefficient between the SAW modes and light modes can be calculated based on the theory of coupling modes. The conversion coefficient of polarized light modes is obtained. Due to the restrictions of the specific parameters of the device, the level of technology and the material characteristics, the sensitivity of the strain sensor system is calculated through simulation as 0.1 μɛ, with a dynamic range of 0 ~ ±50 μɛ.

Interference phenomena in the refraction of a surface polariton by vertical dielectric barriers

NASA Technical Reports Server (NTRS)

Shen, T. P.; Wallis, R. F.; Maradudin, A. A.; Stegeman, G. I.

1984-01-01

A normal mode analysis is used to calculate the transmission and reflection coefficients for a surface polariton propagating along the interface between a surface active medium and a dielectric and incident normally on a vertical dielectric barrier of finite thickness or a thin dielectric film of finite length. The efficiencies of conversion of the surface polariton into transmitted and reflected bulk waves are also determined. The radiation patterns associated with the latter waves are presented.

P-Wave to Rayleigh-wave conversion coefficients for wedge corners; model experiments

USGS Publications Warehouse

Gangi, A.F.; Wesson, R.L.

1978-01-01

An analytic solution is not available for the diffraction of elastic waves by wedges; however, numerical solutions of finite-difference type are available for selected wedge angles. The P- to Rayleigh-wave conversion coefficients at wedge tips have been measured on two-dimensional seismic models for stress-free wedges with wedge angles, ??0, of 10, 30, 60, 90 and 120??. The conversion coefficients show two broad peaks and a minimum as a function of the angle between the wedge face and the direction of the incident P-wave. The minimum occurs for the P wave incident parallel to the wedge face and one maximum is near an incidence angle of 90?? to the wedge face. The amplitude of this maximum, relative to the other, decreases as the wedge angle increases. The asymmetry of the conversion coefficients, CPR(??; ??0), relative to parallel incidence (?? = 0) increases as the wedge angle increases. The locations of the maxima and the minimum as well as the asymmetry can be explained qualitatively. The conversion coefficients are measured with an accuracy of ??5% in those regions where there are no interfering waves. A comparison of the data for the 10?? wedge with the theoretical results for a half plane (0?? wedge) shows good correlation. ?? 1978.

Fluence-to-dose conversion coefficients based on the posture modification of Adult Male (AM) and Adult Female (AF) reference phantoms of ICRP 110

NASA Astrophysics Data System (ADS)

Galeano, D. C.; Santos, W. S.; Alves, M. C.; Souza, D. N.; Carvalho, A. B.

2016-04-01

The aim of this work was to modify the standing posture of the anthropomorphic reference phantoms of ICRP publication 110, AM (Adult Male) and AF (Adult Female), to the sitting posture. The change of posture was performed using the Visual Monte Carlo software (VMC) to rotate the thigh region of the phantoms and position it between the region of the leg and trunk. Scion Image software was used to reconstruct and smooth the knee and hip contours of the phantoms in a sitting posture. For 3D visualization of phantoms, the VolView software was used. In the change of postures, the organ and tissue masses were preserved. The MCNPX was used to calculate the equivalent and effective dose conversion coefficients (CCs) per fluence for photons for six irradiation geometries suggested by ICRP publication 110 (AP, PA, RLAT, LLAT, ROT and ISO) and energy range 0.010-10 MeV. The results were compared between the standing and sitting postures, for both sexes, in order to evaluate the differences of scattering and absorption of radiation for different postures. Significant differences in the CCs for equivalent dose were observed in the gonads, colon, prostate, urinary bladder and uterus, which are present in the pelvic region, and in organs distributed throughout the body, such as the lymphatic nodes, muscle, skeleton and skin, for the phantoms of both sexes. CCs for effective dose showed significant differences of up to 16% in the AP irradiation geometry, 27% in the PA irradiation geometry and 13% in the ROT irradiation geometry. These results demonstrate the importance of using phantoms in different postures in order to obtain more precise conversion coefficients for a given exposure scenario.

Hydrodynamic analysis and shape optimization for vertical axisymmetric wave energy converters

NASA Astrophysics Data System (ADS)

Zhang, Wan-chao; Liu, Heng-xu; Zhang, Liang; Zhang, Xue-wei

2016-12-01

The absorber is known to be vertical axisymmetric for a single-point wave energy converter (WEC). The shape of the wetted surface usually has a great influence on the absorber's hydrodynamic characteristics which are closely linked with the wave power conversion ability. For complex wetted surface, the hydrodynamic coefficients have been predicted traditionally by hydrodynamic software based on the BEM. However, for a systematic study of various parameters and geometries, they are too multifarious to generate so many models and data grids. This paper examines a semi-analytical method of decomposing the complex axisymmetric boundary into several ring-shaped and stepped surfaces based on the boundary discretization method (BDM) which overcomes the previous difficulties. In such case, by using the linear wave theory based on eigenfunction expansion matching method, the expressions of velocity potential in each domain, the added mass, radiation damping and wave excitation forces of the oscillating absorbers are obtained. The good astringency of the hydrodynamic coefficients and wave forces are obtained for various geometries when the discrete number reaches a certain value. The captured wave power for a same given draught and displacement for various geometries are calculated and compared. Numerical results show that the geometrical shape has great effect on the wave conversion performance of the absorber. For absorbers with the same outer radius and draught or displacement, the cylindrical type shows fantastic wave energy conversion ability at some given frequencies, while in the random sea wave, the parabolic and conical ones have better stabilization and applicability in wave power conversion.

Validation of Calculations in a Digital Thermometer Firmware

NASA Astrophysics Data System (ADS)

Batagelj, V.; Miklavec, A.; Bojkovski, J.

2014-04-01

State-of-the-art digital thermometers are arguably remarkable measurement instruments, measuring outputs from resistance thermometers and/or thermocouples. Not only that they can readily achieve measuring accuracies in the parts-per-million range, but they also incorporate sophisticated algorithms for the transformation calculation of the measured resistance or voltage to temperature. These algorithms often include high-order polynomials, exponentials and logarithms, and must be performed using both standard coefficients and particular calibration coefficients. The numerical accuracy of these calculations and the associated uncertainty component must be much better than the accuracy of the raw measurement in order to be negligible in the total measurement uncertainty. In order for the end-user to gain confidence in these calculations as well as to conform to formal requirements of ISO/IEC 17025 and other standards, a way of validation of these numerical procedures performed in the firmware of the instrument is required. A software architecture which allows a simple validation of internal measuring instrument calculations is suggested. The digital thermometer should be able to expose all its internal calculation functions to the communication interface, so the end-user can compare the results of the internal measuring instrument calculation with reference results. The method can be regarded as a variation of the black-box software validation. Validation results on a thermometer prototype with implemented validation ability show that the calculation error of basic arithmetic operations is within the expected rounding error. For conversion functions, the calculation error is at least ten times smaller than the thermometer effective resolution for the particular probe type.

Co- and contra-directional vertical coupling between ferromagnetic layers with grating for short-wavelength spin wave generation

NASA Astrophysics Data System (ADS)

Graczyk, Piotr; Zelent, Mateusz; Krawczyk, Maciej

2018-05-01

The possibility to generate short spin waves (SWs) is of great interest in the field of magnonics nowadays. We present an effective and technically affordable way of conversion of long SWs, which may be generated by conventional microwave antenna, to the short, sub-micrometer waves. It is achieved by grating-assisted resonant dynamic dipolar interaction between two ferromagnetic layers separated by some distance. We analyze criteria for the optimal conversion giving a semi-analytical approach for the coupling coefficient. We show by the numerical calculations the efficient energy transfer between layers which may be either of co-directional or contra-directional type. Such a system may operate either as a short spin wave generator or a frequency filter, moving forward possible application of magnonics.

Air kerma to Hp(3) conversion coefficients for a new cylinder phantom for photon reference radiation qualities.

PubMed

Behrens, R

2012-09-01

The International Organization for Standardization (ISO) has issued a standard series on photon reference radiation qualities (ISO 4037). In this series, no conversion coefficients are contained for the quantity personal dose equivalent at a 3 mm depth, H(p)(3). In the past, for this quantity, a slab phantom was recommended as a calibration phantom; however, a cylinder phantom much better approximates the shape of a human head than a slab phantom. Therefore, in this work, the conversion coefficients from air kerma to H(p)(3) for the cylinder phantom are supplied for X- and gamma radiation qualities defined in ISO 4037.

Temperature dependence of terahertz optical properties of LBO and perspectives of applications in down-converters

NASA Astrophysics Data System (ADS)

Nikolaev, N. A.; Andreev, Yu. M.; Kononova, N. G.; Lanskii, G. V.; Mamrashev, A. A.; Antsygin, V. D.; Kokh, K. A.; Kokh, A. E.

2018-01-01

Lithium triborate LiB3O5 (LBO) crystals are widely used for frequency conversion of the near-IR lasers within main transparency windows. Their optical properties at these wavelengths are well studied. However, very little work has been published on the properties in the terahertz (THz) range. There was a lack of data on the refractive indices, the absorption coefficients spectra and their temperature dispersions. There are no reports of THz applications. Present work reveals all these topics including the prospects for use LBO crystals as down-converters of the near-IR lasers radiation. Optically finished samples of flux-grown LBO crystals were studied by THz-TDS. The refractive index dispersions were recorded and then approximated in the form of Sellmeier equations for the temperatures of 300 and 81 K. The phase-matching curves for the IR-THz and THz-THz frequency conversions were calculated. It was found that the absorption coefficients of LBO decrease significantly with cooling to cryogenic temperatures, but the overall character of optical properties changes is intricated. Experimental results are discussed in detail considering potential characteristics of THz down-converters.

Simulation of land use change in the three gorges reservoir area based on CART-CA

NASA Astrophysics Data System (ADS)

Yuan, Min

2018-05-01

This study proposes a new method to simulate spatiotemporal complex multiple land uses by using classification and regression tree algorithm (CART) based CA model. In this model, we use classification and regression tree algorithm to calculate land class conversion probability, and combine neighborhood factor, random factor to extract cellular transformation rules. The overall Kappa coefficient is 0.8014 and the overall accuracy is 0.8821 in the land dynamic simulation results of the three gorges reservoir area from 2000 to 2010, and the simulation results are satisfactory.

Phosphotyrosine as a substrate of acid and alkaline phosphatases.

PubMed

Apostoł, I; Kuciel, R; Wasylewska, E; Ostrowski, W S

1985-01-01

A new spectrophotometric method for following dephosphorylation of phosphotyrosine has been described. The absorption spectra of phosphotyrosine and tyrosine were plotted over the pH range from 3 to 9. The change in absorbance accompanying the conversion of phosphotyrosine to tyrosine was the greatest at 286 nm. The difference absorption coefficients were calculated for several pH values. Dephosphorylation of phosphotyrosine by acid phosphatases from human prostate gland, from wheat germ and potatoes obeys the Michaelis-Menten equation, whereas alkaline phosphatases calf intestine and E. coli are inhibited by excess of substrate.

Radial diffusion with outer boundary determined by geosynchronous measurements: Storm and post-storm intervals

NASA Astrophysics Data System (ADS)

Chu, F.; Haines, P.; Hudson, M.; Kress, B.; Freidel, R.; Kanekal, S.

2007-12-01

Work is underway by several groups to quantify diffusive radial transport of radiation belt electrons, including a model for pitch angle scattering losses to the atmosphere. The radial diffusion model conserves the first and second adiabatic invariants and breaks the third invariant. We have developed a radial diffusion code which uses the Crank Nicholson method with a variable outer boundary condition. For the radial diffusion coefficient, DLL, we have several choices, including the Brautigam and Albert (JGR, 2000) diffusion coefficient parameterized by Kp, which provides an ad hoc measure of the power level at ULF wave frequencies in the range of electron drift (mHz), breaking the third invariant. Other diffusion coefficient models are Kp-independent, fixed in time but explicitly dependent on the first invariant, or energy at a fixed L, such as calculated by Elkington et al. (JGR, 2003) and Perry et al. (JGR, 2006) based on ULF wave model fields. We analyzed three periods of electron flux and phase space density (PSD) enhancements inside of geosynchronous orbit: March 31 - May 31, 1991, and July 2004 and Nov 2004 storm intervals. The radial diffusion calculation is initialized with a computed phase space density profile for the 1991 interval using differential flux values from the CRRES High Energy Electron Fluxmeter instrument, covering 0.65 - 7.5 MeV. To calculate the initial phase space density, we convert Roederer L* to McIlwain's L- parameter using the ONERA-DESP program. A time averaged model developed by Vampola1 from the entire 14 month CRRES data set is applied to the July 2004 and Nov 2004 storms. The online CRESS data for specific orbits and the Vampola-model flux are both expressed in McIlwain L-shell, while conversion to L* conserves phase space density in a distorted non-dipolar magnetic field model. A Tsyganenko (T04) magnetic field model is used for conversion between L* and L. The outer boundary PSD is updated using LANL GEO satellite fluxes. After calculating the phase space density time evolution for the two storms and post-injection interval (March 31 - May 31, 1991), we compare results with SAMPEX measurements. A better match with SAMPEX measurements is obtained with a variable outer boundary, also with a Kp-dependent diffusion coefficient, and finally with an energy and L-dependent loss term (Summers et al., JGR, 2004), than with a time-independent diffusion coefficient and a simple Kp-parametrized loss rate and location of the plasmapause. Addition of a varying outer boundary which incorporates measured fluxes at geosynchronous orbit using L* has the biggest effect of the three parametrized variations studied. 1Vampola, A.L., 1996, The ESA Outer Zone Electron Model Update, Environment Modelling for Spaced-based Applications, ESA SP-392, ESTEC, Nordwijk, NL, pp. 151-158, W. Burke and T.-D. Guyenne, eds.

Proton-neutron multiplet states in {sup 112}Sb

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

Fayez-Hassan, M.; Gulyas, J.; Dombradi, Z.

1997-05-01

Excited states of {sup 112}Sb were investigated through the {sup 112}Sn(p,n{gamma}){sup 112}Sb reaction. {gamma}-ray, {gamma}{gamma}-coincidence, and internal conversion electron spectra were measured with Ge(HP) {gamma} and superconducting magnetic lens plus Si(Li) electron spectrometers at 8.5, 8.9, 9.1, and 9.3 MeV bombarding proton energies. A significantly extended level scheme was constructed. Spins and parities have been assigned to the levels from Hauser-Feshbach analysis of reaction cross sections, internal conversion coefficients, angular distribution of the {gamma} rays, and decay properties of the states. The low lying states were assigned to proton-neutron multiplets on the basis of their decay properties. The energy splittingmore » of these multiplets have been calculated using the parabolic rule. {copyright} {ital 1997} {ital The American Physical Society}« less

A new fifth parameter for transverse isotropy III: reflection and transmission coefficients

NASA Astrophysics Data System (ADS)

Kawakatsu, Hitoshi

2018-04-01

The effect of the newly defined fifth parameter, ηκ, of transverse anisotropy to the reflection and transmission coefficients, especially for P-to-S and S-to-P conversion coefficients, is examined. While ηκ systematically affects the P-to-S and S-to-P conversions, in the incidence angle range of the practical interest of receiver function studies, the effect may be asymmetric in a sense that P-wave receiver function is affected more than S-receiver function in terms of amplitude. This asymmetry may help resolving ηκ via extensive receiver function analysis. It is also found that P-wave anisotropy significantly influences P-to-S and S-to-P conversion coefficients that complicates the interpretation of receiver functions, because, for isotropic media, we typically attribute the primary receiver function signals to S-wave velocity changes but not to P-wave changes.

Development of Monte Carlo simulations to provide scanner-specific organ dose coefficients for contemporary CT

NASA Astrophysics Data System (ADS)

Jansen, Jan T. M.; Shrimpton, Paul C.

2016-07-01

The ImPACT (imaging performance assessment of CT scanners) CT patient dosimetry calculator is still used world-wide to estimate organ and effective doses (E) for computed tomography (CT) examinations, although the tool is based on Monte Carlo calculations reflecting practice in the early 1990’s. Subsequent developments in CT scanners, definitions of E, anthropomorphic phantoms, computers and radiation transport codes, have all fuelled an urgent need for updated organ dose conversion factors for contemporary CT. A new system for such simulations has been developed and satisfactorily tested. Benchmark comparisons of normalised organ doses presently derived for three old scanners (General Electric 9800, Philips Tomoscan LX and Siemens Somatom DRH) are within 5% of published values. Moreover, calculated normalised values of CT Dose Index for these scanners are in reasonable agreement (within measurement and computational uncertainties of  ±6% and  ±1%, respectively) with reported standard measurements. Organ dose coefficients calculated for a contemporary CT scanner (Siemens Somatom Sensation 16) demonstrate potential deviations by up to around 30% from the surrogate values presently assumed (through a scanner matching process) when using the ImPACT CT Dosimetry tool for newer scanners. Also, illustrative estimates of E for some typical examinations and a range of anthropomorphic phantoms demonstrate the significant differences (by some 10’s of percent) that can arise when changing from the previously adopted stylised mathematical phantom to the voxel phantoms presently recommended by the International Commission on Radiological Protection (ICRP), and when following the 2007 ICRP recommendations (updated from 1990) concerning tissue weighting factors. Further simulations with the validated dosimetry system will provide updated series of dose coefficients for a wide range of contemporary scanners.

Precise Measurement of αK for the 39.76-keV E3 transition in 103Rh: Further Test of Internal Conversion Theory

NASA Astrophysics Data System (ADS)

Bryant, Justin; Park, Hyo In; Nica, Ninel; Iacob, Victor; Hardy, John

2017-09-01

We have extended our series of precision measurements of internal conversion coefficients (ICC) to include the 39.76-keV, E3 transition in 103Rh. Our goal has been to test the Dirac-Fock ICC calculations, specifically with respect to the role of the atomic vacancy created in the conversion process. We prepared a sample from pure (natural) ruthenium chloride by converting the sample to ruthenium oxide, electrochemically depositing it on an aluminum backing, and subsequently activating it with thermal neutrons at the Texas A&M TRIGA reactor for 20 hours. Decay spectra were then recorded for roughly 120 hours with a HPGe detector that has been precisely efficiency calibrated (+/-.15% relative precision). In the acquired spectra, all impurities were identified and corrected for accordingly. A program was written using the ROOT framework developed by CERN to extract the area of the 39.76-keV gamma-ray peak from 103Rh, which partially overlapped the Kα x-ray peaks from a 153Gd impurity. From the ratio of the 39.76-keV peak to the Ruthenium K x rays, we determined a preliminary value for the ICC: αk(39.76) =134.6(19). This result agrees well with the theoretical calculation including the atomic vacancy, 135.2, and disagrees with the calculation excluding the vacancy, 127.4. This is consistent with our previous measurements, indicating that the atomic vacancy must be taken into account. Thanks to the NSF, DOE and Welch Foundation.

Thermal, spectroscopic and laser properties of Nd3+ in gadolinium scandium gallium garnet crystal produced by optical floating zone method

NASA Astrophysics Data System (ADS)

Tian, Li; Wang, Shuxian; Wu, Kui; Wang, Baolin; Yu, Haohai; Zhang, Huaijin; Cai, Huaqiang; Huang, Hui

2013-12-01

A neodymium-doped gadolinium scandium gallium garnet (Nd:GSGG) single crystal with dimensions of Φ 5 × 20 mm2 has been grown by means of optical floating zone (OFZ). X-ray powder diffraction (XRPD) result shows that the as-grown Nd:GSGG crystal possesses a cubic structure with space group Ia3d and a cell parameter of a = 1.2561 nm. Effective elemental segregation coefficients of the Nd:GSGG as-grown crystal were calculated by using X-ray fluorescence (XRF). The thermal properties of the Nd:GSGG crystal were systematically studied by measuring the specific heat, thermal expansion and thermal diffusion coefficient, and the thermal conductivity of this crystal was calculated. The absorption and luminescence spectra of Nd:GSGG were measured at room temperature (RT). By using the Judd-Ofelt (J-O) theory, the theoretical radiative lifetime was calculated and compared with the experimental result. Continuous wave (CW) laser performance was achieved with the Nd:GSGG at the wavelength of 1062 nm when it was pumped by a laser diode (LD). A maximum output power of 0.792 W at 1062 nm was obtained with a slope efficiency of 11.89% under a pump power of 7.36 W, and an optical-optical conversion efficiency of 11.72%.

Development and application of a complex numerical model and software for the computation of dose conversion factors for radon progenies.

PubMed

Farkas, Árpád; Balásházy, Imre

2015-04-01

A more exact determination of dose conversion factors associated with radon progeny inhalation was possible due to the advancements in epidemiological health risk estimates in the last years. The enhancement of computational power and the development of numerical techniques allow computing dose conversion factors with increasing reliability. The objective of this study was to develop an integrated model and software based on a self-developed airway deposition code, an own bronchial dosimetry model and the computational methods accepted by International Commission on Radiological Protection (ICRP) to calculate dose conversion coefficients for different exposure conditions. The model was tested by its application for exposure and breathing conditions characteristic of mines and homes. The dose conversion factors were 8 and 16 mSv WLM(-1) for homes and mines when applying a stochastic deposition model combined with the ICRP dosimetry model (named PM-A model), and 9 and 17 mSv WLM(-1) when applying the same deposition model combined with authors' bronchial dosimetry model and the ICRP bronchiolar and alveolar-interstitial dosimetry model (called PM-B model). User friendly software for the computation of dose conversion factors has also been developed. The software allows one to compute conversion factors for a large range of exposure and breathing parameters and to perform sensitivity analyses. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Comparison of methods for H*(10) calculation from measured LaBr3(Ce) detector spectra.

PubMed

Vargas, A; Cornejo, N; Camp, A

2018-07-01

The Universitat Politecnica de Catalunya (UPC) and the Centro de Investigaciones Energéticas, Medioambientales y Tecnológicas (CIEMAT) have evaluated methods based on stripping, conversion coefficients and Maximum Likelihood Estimation using Expectation Maximization (ML-EM) in calculating the H*(10) rates from photon pulse-height spectra acquired with a spectrometric LaBr 3 (Ce)(1.5″ × 1.5″) detector. There is a good agreement between results of the different H*(10) rate calculation methods using the spectra measured at the UPC secondary standard calibration laboratory in Barcelona. From the outdoor study at ESMERALDA station in Madrid, it can be concluded that the analysed methods provide results quite similar to those obtained with the reference RSS ionization chamber. In addition, the spectrometric detectors can also facilitate radionuclide identification. Copyright © 2018 Elsevier Ltd. All rights reserved.

Technical Note: exploring the limit for the conversion of energy-subtracted CT number to electron density for high-atomic-number materials.

PubMed

Saito, Masatoshi; Tsukihara, Masayoshi

2014-07-01

For accurate tissue inhomogeneity correction in radiotherapy treatment planning, the authors had previously proposed a novel conversion of the energy-subtracted CT number to an electron density (ΔHU-ρe conversion), which provides a single linear relationship between ΔHU and ρe over a wide ρe range. The purpose of this study is to address the limitations of the conversion method with respect to atomic number (Z) by elucidating the role of partial photon interactions in the ΔHU-ρe conversion process. The authors performed numerical analyses of the ΔHU-ρe conversion for 105 human body tissues, as listed in ICRU Report 46, and elementary substances with Z = 1-40. Total and partial attenuation coefficients for these materials were calculated using the XCOM photon cross section database. The effective x-ray energies used to calculate the attenuation were chosen to imitate a dual-source CT scanner operated at 80-140 kV/Sn under well-calibrated and poorly calibrated conditions. The accuracy of the resultant calibrated electron density,[Formula: see text], for the ICRU-46 body tissues fully satisfied the IPEM-81 tolerance levels in radiotherapy treatment planning. If a criterion of [Formula: see text]ρe - 1 is assumed to be within ± 2%, the predicted upper limit of Z applicable for the ΔHU-ρe conversion under the well-calibrated condition is Z = 27. In the case of the poorly calibrated condition, the upper limit of Z is approximately 16. The deviation from the ΔHU-ρe linearity for higher Z substances is mainly caused by the anomalous variation in the photoelectric-absorption component. Compensation among the three partial components of the photon interactions provides for sufficient linearity of the ΔHU-ρe conversion to be applicable for most human tissues even for poorly conditioned scans in which there exists a large variation of effective x-ray energies owing to beam-hardening effects arising from the mismatch between the sizes of the object and the calibration phantom.

Radiometer offsets and count conversion coefficients for the Earth Radiation Budget Experiment (ERBE) spacecraft for the years 1984, 1985, and 1986

NASA Technical Reports Server (NTRS)

Paden, Jack; Pandey, Dhirendra K.; Shivakumar, Netra D.; Stassi, Joseph C.; Wilson, Robert; Bolden, William; Thomas, Susan; Gibson, M. Alan

1991-01-01

A compendium is presented of the ground and inflight scanner and nonscanner offsets and count conversion (gain) coefficients used for the Earth Radiation Budget Experiment (ERBE) production processing of data from the ERBS, NOAA-9, and NOAA-10 satellites for the 1 Nov. 1984 to 31 Dec. 1986.

Dependence of Exciton Diffusion Length and Diffusion Coefficient on Photophysical Parameters in Bulk Heterojunction Organic Solar Cells

NASA Astrophysics Data System (ADS)

Yeboah, Douglas; Singh, Jai

2017-11-01

Recently, the dependence of exciton diffusion length (LD ) on some photophysical parameters of organic solids has been experimentally demonstrated, however no systematic theoretical analysis of this phenomenon has been carried out. We have conducted a theoretical study by using the Förster resonance energy transfer and Dexter carrier transfer mechanisms together with the Einstein-Smoluchowski diffusion equation to derive analytical models for the diffusion lengths (LD ) and diffusion coefficients (D) of singlet (S) and triplet (T) excitons in organic solids as functions of spectral overlap integral (J) , photoluminescence (PL) quantum yield (φD ) , dipole moment (μT ) and refractive index (n) of the photoactive material. The exciton diffusion lengths and diffusion coefficients in some selected organic solids were calculated, and we found that the singlet exciton diffusion length (LDS ) increases with φD and J, and decreases with n. Also, the triplet exciton diffusion length (LDT ) increases with φD and decreases with μT . These may be achieved through doping the organic solids into broad optical energy gap host materials as observed in previous experiments. The calculated exciton diffusion lengths are compared with experimental values and a reasonably good agreement is found between them. The results presented are expected to provide insight relevant to the synthesis of new organic solids for fabrication of bulk heterojunction organic solar cells characterized by better power conversion efficiency.

Determination of the optimum phase-matching directions for the self-frequency conversion of Nd:GdCOB and Nd:YCOB crystals

NASA Astrophysics Data System (ADS)

Chen, Xueyuan; Huang, Miaoliang; Luo, Zundu; Huang, Yidong

2001-09-01

We report on the nonlinear optical properties of Nd:Ca 4GdO(BO 3) 3 (Nd:GdCOB) and Nd:Ca 4YO(BO 3) 3 (Nd:YCOB) biaxial crystals by theoretical calculation. The phase-matching curves for the self-frequency conversion generation of both crystals are presented. The dependence of the effective nonlinear coefficients and walk-off angles on different phase-matching directions are discussed. The results show that the optimum type-I phase-matching directions for the self-frequency doubling and self-sum-frequency mixing lasers are not in the principal planes but are located respectively in the directions ( θ=67.1°, ϕ=132.35°) and ( θ=68.75°, ϕ=118.1°) for Nd:GdCOB, and ( θ=66.5°, ϕ=143.4°) and ( θ=65.9°, ϕ=134.1°) for Nd:YCOB.

Electrothermal energy conversion using electron gas volumetric change inside semiconductors

NASA Astrophysics Data System (ADS)

Yazawa, K.; Shakouri, A.

2016-07-01

We propose and analyze an electrothermal energy converter using volumetric changes in non-equilibrium electron gas inside semiconductors. The geometric concentration of electron gas under an electric field increases the effective pressure of the electrons, and then a barrier filters out cold electrons, acting like a valve. Nano- and micro-scale features enable hot electrons to arrive at the contact in a short enough time to avoid thermalization with the lattice. Key length and time scales, preliminary device geometry, and anticipated efficiency are estimated for electronic analogs of Otto and Brayton power generators and Joule-Thomson micro refrigerators on a chip. The power generators convert the energy of incident photons from the heat source to electrical current, and the refrigerator can reduce the temperature of electrons in a semiconductor device. The analytic calculations show that a large energy conversion efficiency or coefficient of performance may be possible.

Electrothermal energy conversion using electron gas volumetric change inside semiconductors

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

Yazawa, K.; Shakouri, A.

2016-07-25

We propose and analyze an electrothermal energy converter using volumetric changes in non-equilibrium electron gas inside semiconductors. The geometric concentration of electron gas under an electric field increases the effective pressure of the electrons, and then a barrier filters out cold electrons, acting like a valve. Nano- and micro-scale features enable hot electrons to arrive at the contact in a short enough time to avoid thermalization with the lattice. Key length and time scales, preliminary device geometry, and anticipated efficiency are estimated for electronic analogs of Otto and Brayton power generators and Joule-Thomson micro refrigerators on a chip. The powermore » generators convert the energy of incident photons from the heat source to electrical current, and the refrigerator can reduce the temperature of electrons in a semiconductor device. The analytic calculations show that a large energy conversion efficiency or coefficient of performance may be possible.« less

Neutronics Analyses of the Minimum Original HEU TREAT Core

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

Kontogeorgakos, D.; Connaway, H.; Yesilyurt, G.

2014-04-01

This work was performed to support the feasibility study on the potential conversion of the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory from the use of high-enriched uranium (HEU) fuel to the use of low-enriched uranium (LEU) fuel. The analyses were performed by the GTRI Reactor Conversion staff at the Argonne National Laboratory (ANL). The objective of this study was to validate the MCNP model of the TREAT reactor with the well-documented measurements which were taken during the start-up and early operation of TREAT. Furthermore, the effect of carbon graphitization was also addressed. The graphitization level was assumedmore » to be 100% (ANL/GTRI/TM-13/4). For this purpose, a set of experiments was chosen to validate the TREAT MCNP model, involving the approach to criticality procedure, in-core neutron flux measurements with foils, and isothermal temperature coefficient and temperature distribution measurements. The results of this study extended the knowledge base for the TREAT MCNP calculations and established the credibility of the MCNP model to be used in the core conversion feasibility analysis.« less

Internal conversion coefficients of high multipole transitions: Experiment and theories

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

Gerl, J.; Vijay Sai, K.; Sainath, M.

A compilation of the available experimental internal conversion coefficients (ICCs), {alpha}{sub T}, {alpha}{sub K}, {alpha}{sub L}, and ratios K/L and K/LM of high multipole (L > 2) transitions for a number of elements in the range 21 {<=} Z {<=} 94 is presented. Our listing of experimental data includes 194 data sets on 110 E3 transitions, 10 data sets on 6 E4 transitions, 11 data sets on 7 E5 transitions, 38 data sets on 21 M3 transitions, and 132 data sets on 68 M4 transitions. Data with less than 10% experimental uncertainty have been selected for comparison with the theoreticalmore » values of Hager and Seltzer [R.S. Hager, E.C. Seltzer, Nucl. Data Tables A 4 (1968) 1], Rosel et al. [F. Roesel, H.M. Fries, K. Alder, H.C. Pauli, At. Data Nucl. Data Tables 21 (1978) 91], and BRICC. The relative percentage deviations (%{delta}) have been calculated for each of the above theories and the averages (%{delta}-bar) are estimated. The Band et al. [I.M. Band, M.B. Trzhaskovskaya, C.W. Nestor Jr., P.O. Tikkanen, S. Raman, At. Data Nucl. Data Tables 81 (2002) 1] tables, using the BRICC interpolation code, are seen to give theoretical ICCs closest to experimental values.« less

Ab-Initio-Based Kinetic Modeling to Understand RAFT Exchange: The Case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene.

PubMed

Desmet, Gilles B; De Rybel, Nils; Van Steenberge, Paul H M; D'hooge, Dagmar R; Reyniers, Marie-Françoise; Marin, Guy B

2018-01-01

Ab-initio-calculated rate coefficients for addition and fragmentation in reversible-addition fragmentation chain transfer (RAFT) polymerization of styrene with 2-cyano-2-propyl dodecyl trithiocarbonate initiated by azobisisobutyronitrile allow the reliable simulation of the experimentally observed conversion, number average chain length, and dispersity. The rate coefficient for addition of a macroradical R i to the macroRAFT agent R i X at 333 K (6.8 10 4 L mol -1 s -1 ) is significantly lower than to the initial RAFT agent R 0 X (3.2 10 6 L mol -1 s -1 ), mainly due to a difference in activation energy (15.4 vs 3.0 kJ mol -1 ), which causes the dispersity to spike in the beginning of the polymerization. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Potential Evaluation of Thermoelectric and Mechanical Properties of Zr2CoZ (Z = Si, Ge) Heusler Alloys

NASA Astrophysics Data System (ADS)

Yousuf, Saleem; Gupta, Dinesh C.

2018-04-01

The electronic, mechanical and thermoelectric properties of Zr2CoZ (Z = Si, Ge) Heusler alloys are investigated by the full-potential linearized augmented plane wave method. Using the Voigt-Reuss approximation, we calculated the various elastic constants, the shear and Young's moduli, and Poisson's ratio which predict the ductile nature of the alloys. Thermoelectric coefficients viz., Seebeck, electrical conductivity and figure of merit show Zr2CoZ alloys as n-type thermoelectric materials showing a linearly increasing Seebeck coefficient with temperature mainly because of the existence of almost flat conduction bands along L to D directions of a high symmetry Brillouin zone. The efficiency of conversion was measured as the figure of merit by taking into effect the lattice thermal part that achieves an upper-limit of 0.14 at 1200 K which may favour their use for waste heat recovery at higher temperatures.

Fusion Energy and Stopping Power in a Degenerate DT Pellet Driven by a Laser-Accelerated Proton Beam

NASA Astrophysics Data System (ADS)

Mehrangiz, M.; Ghasemizad, A.; Jafari, S.; Khanbabaei, B.

2016-06-01

In this paper, we have improved the fast ignition scheme in order to have more authority needed for high-energy-gain. Due to the more penetrability and energy deposition of the particle beams in fusion targets, we employ a laser-to-ion converter foil as a scheme for generating energetic ion beams to ignite the fusion fuel. We find the favorable intensity and wavelength of incident laser by evaluating the laser-proton conversion gain. By calculating the source-target distance, proton beam power and energy are estimated. Our analysis is generalized to the plasma degeneracy effects which can increase the fusion gain several orders of magnitude by decreasing the ion-electron collisions in the plasma. It is found that the wavelength of 0.53 μm and the intensity of about 1020 W/cm2, by saving about 10% conversion coefficient, are the suitable measured values for converting a laser into protons. Besides, stopping power and fusion burn calculations have been done in degenerate and non-degenerate plasma mediums. The results indicate that in the presence of degeneracy, the rate of fusion enhances. Supported by the Research Council of University of Guilan

Dual-band high-efficiency polarization converter using an anisotropic metasurface

NASA Astrophysics Data System (ADS)

Lin, Baoqin; Wang, Buhong; Meng, Wen; Da, Xinyu; Li, Wei; Fang, Yingwu; Zhu, Zihang

2016-05-01

In this work, a dual-band and high-efficiency reflective cross-polarization converter based on an anisotropic metasurface for linearly polarized electromagnetic waves is proposed. Its unit cell is composed of an elliptical disk-ring mounted on grounded dielectric substrate, which is an anisotropic structure with a pair of mutually perpendicular symmetric axes u and v along ± 45 ° directions with respect to y-axis direction. Both the simulation and measured results show that the polarization converter can convert x- or y-polarized incident wave to its cross polarized wave in the two frequency bands (6.99-9.18 GHz, 11.66-20.40 GHz) with the conversion efficiency higher than 90%; moreover, the higher frequency band is an ultra-wide one with a relative bandwidth of 54.5% for multiple plasmon resonances. In addition, we present a detailed analysis for the polarization conversion of the polarization converter, and derive a formula to calculate the cross- and co-polarization reflections at y-polarized incidence according to the phase differences between the two reflected coefficients at u-polarized and v-polarized incidences. The simulated, calculated, and measured results are all in agreement with the entire frequency regions.

Q Conversion Factor Models for Estimating Precipitable Water Vapor for Turkey

NASA Astrophysics Data System (ADS)

Deniz, Ilke; Mekik, Cetin; Gurbuz, Gokhan

2015-04-01

Global Navigation Satellite Systems (GNSS) have recently proved to be one of the crucial tools for determining continuous and precise precipitable water vapor (GNSS-MET networks). GNSS, especially CORS networks such as CORS-TR (the Turkish Network-RTK), provide high temporal and spatial accuracy for the wet tropospheric zenith delays which are then converted to the precipitable water vapor due to the fact that they can operate in all weather conditions continuously and economically. The accuracy of wet tropospheric zenith delay highly depends on the accuracy of precipitable water vapor content in the troposphere. Therefore, the precipitable water vapor is an important element of the tropospheric zenith delay. A number of studies can be found in the literature on the determination of the precipitable water vapor from the tropospheric zenith delay. Studies of Hogg showed that when the precipitable water vapor is known, the tropospheric zenith delay can be computed. Askne and Nodius have developed fundamental equations between the wet tropospheric zenith delay and the precipitable water vapor from the equation of the index of refraction in the troposphere. Furthermore, Bevis have developed a linear regression model to determine the weighted mean temperature (Tm) depending on the surface temperature (Ts) in Askne and Nodius studies. For this reason, nearly 9000 radiosonde profiles in USA were analyzed and the coefficients calculated. Similarly, there are other studies on the calculation of those coefficients for different regions: Solbrig for Germany, Liou for Taiwan, Jihyun for South Korea, Dongseob for North Korea, Suresh Raju for India, Boutiouta and Lahcene for Algeria, Bokoye for Canada, Baltink for Netherlands and Baltic, Bock for Africa. It is stated that the weighted mean temperature can be found with a root mean square error of ±2-5 K. In addition, there are studies on the calculation of the coefficients globally. Another model for the determination of precipitable water vapor is the conversion factor Q which is shown in Emardson and Derks' studies and also Jade and Vijayan's. Developing a regional model using either Tm-Ts equation or the conversion factor Q will provide a basis for GNSS Meteorology in Turkey which depends on the analysis of the radiosonde profile data. For this purpose, the radiosonde profiles from Istanbul, Ankara, Diyarbaki r, Samsun, Erzurum, Izmir, Isparta and Adana stations are analyzed with the radiosonde analysis algorithm in the context of the 'The Estimation of Atmospheric Water Vapour with GPS' Project which is funded by the Scientific and Technological Research Council of Turkey (TUBITAK). The Project is also in the COST Action ES1206: Advanced Global Navigation Satellite Systems tropospheric products for monitoring severe weather events and climate (GNSS4SWEC). In this study, regional models using the conversion factor Q are used for the determination of precipitable water vapor, and applied to the GNSS derived wet tropospheric zenith delays. Henceforth, the estimated precipitable water vapor and the precipitable water vapor obtained from the radiosonde station are compared. The average of the differences between RS and models for Istanbul and Ankara stations are obtained as 2.0±1.6 mm, 1.6±1.6 mm, respectively.

Nonlocal thermodynamic equilibrium processes in ozone - Implications for the energy budget of the mesosphere and lower thermosphere

NASA Technical Reports Server (NTRS)

Milynczak, Martin G.

1991-01-01

The conversion of chemical potential energy and infrared radiative energy to kinetic energy by non-LTE processes involving ozone is a potentially significant source of heat in the terrestrial upper mesosphere and lower thermosphere. Heating rates are calculated and compared using two different statistical equilibrium models previously applied in the analysis of measurements of limb emission from ozone. The calculated heating depends strongly on the assumed distribution and relaxation of energy in the quasi-nascent ozone molecule. Finally, in the absence of a detailed data base of rate coefficients it may be possible to estimate the heating rate due to non-LTE processes in ozone from appropriate satellite measurements of the ozone concentration and of the infrared emission from ozone in the 9-12 micron spectral interval.

The Role of Radial Clearance on the Performance of Foil Air Bearings

NASA Technical Reports Server (NTRS)

Radil, Kevin; Howard, Samuel; Dykas, Brian

2002-01-01

Load capacity tests were conducted to determine how radial clearance variations affect the load capacity coefficient of foil air bearings. Two Generation III foil air bearings with the same design but possessing different initial radial clearances were tested at room temperature against an as-ground PS304 coated journal operating at 30,000 rpm. Increases in radial clearance were accomplished by reducing the journal's outside diameter via an in-place grinding system. From each load capacity test the bearing load capacity coefficient was calculated from the rule-of-thumb (ROT) model developed for foil air bearings. The test results indicate that, in terms of the load capacity coefficient, radial clearance has a direct impact on the performance of the foil air bearing. Each test bearing exhibited an optimum radial clearance that resulted in a maximum load capacity coefficient. Relative to this optimum value are two separate operating regimes that are governed by different modes of failure. Bearings operating with radial clearances less than the optimum exhibit load capacity coefficients that are a strong function of radial clearance and are prone to a thermal runaway failure mechanism and bearing seizure. Conversely, a bearing operating with a radial clearance twice the optimum suffered only a 20 percent decline in its maximum load capacity coefficient and did not experience any thermal management problems. However, it is unknown to what degree these changes in radial clearance had on other performance parameters, such as the stiffness and damping properties of the bearings.

WQEP - a computer spreadsheet program to evaluate water quality data

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

Liddle, R.G.

1996-12-31

A flexible spreadsheet Water Quality Evaluation Program (WQEP) has been developed for mining companies, consultants, and regulators to interpret the results of water quality sampling. In order properly to evaluate hydrologic data, unit conversions and chemical calculations are done, quality control checks are needed, and a complete and up-to-date listing of water quality standards is necessary. This process is time consuming and tends not to be done for every sample. This program speeds the process by allowing the input of up to 115 chemical parameters from one sample. WQEP compares concentrations with EPA primary and secondary drinking water MCLs ormore » MCLG, EPA warmwater and Coldwater acute and chronic aquatic life criteria, irrigation criteria, livestock criteria, EPA human health criteria, and several other categories of criteria. The spreadsheet allows the input of State or local water standards of interest. Water quality checks include: anion/cations, TDS{sub m}/TDS{sub c} (where m=measured and c=calculated), EC{sub m}/EC{sub c}, EC{sub m}/ion sums, TDS{sub c}/EC ratio, TDS{sub m}/EC, EC vs. alkalinity, two hardness values, and EC vs. {Sigma} cations. WQEP computes the dissolved transport index of 23 parameters, computes ratios of 26 species for trend analysis, calculates non-carbonate alkalinity to adjust the bicarbonate concentration, and calculates 35 interpretive formulas (pE, SAR, S.I., unionized ammonia, ionized sulfide HS-, pK{sub x} values, etc.). Fingerprinting is conducted by automatic generation of stiff diagrams and ion histograms. Mass loading calculations, mass balance calculations, conversions of concentrations, ionic strength, and the activity coefficient and chemical activity of 33 parameters is calculated. This program allows a speedy and thorough evaluation of water quality data from metal mines, coal mining, and natural surface water systems and has been tested against hand calculations.« less

A Multi-Stage Wear Model for Grid-to-Rod Fretting of Nuclear Fuel Rods

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

Blau, Peter Julian

The wear of fuel rod cladding against the supporting structures in the cores of pressurized water nuclear reactors (PWRs) is an important and potentially costly tribological issue. Grid-to-rod fretting (GTRF), as it is known, involves not only time-varying contact conditions, but also elevated temperatures, flowing hot water, aqueous tribo-corrosion, and the embrittling effects of neutron fluences. The multi-stage, closed-form analytical model described in this paper relies on published out-of-reactor wear and corrosion data and a set of simplifying assumptions to portray the conversion of frictional work into wear depth. The cladding material of interest is a zirconium-based alloy called Zircaloy-4,more » and the grid support is made of a harder and more wear-resistant material. Focus is on the wear of the cladding. The model involves an incubation stage, a surface oxide wear stage, and a base alloy wear stage. The wear coefficient, which is a measure of the efficiency of conversion of frictional work into wear damage, can change to reflect the evolving metallurgical condition of the alloy. Wear coefficients for Zircaloy-4 and for a polyphase zirconia layer were back-calculated for a range of times required to wear to a critical depth. Inputs for the model, like the friction coefficient, are taken from the tribology literature in lieu of in-reactor tribological data. Concepts of classical fretting were used as a basis, but are modified to enable the model to accommodate the complexities of the PWR environment. Factors like grid spring relaxation, pre-oxidation of the cladding, multiple oxide phases, gap formation, impact, and hydrogen embrittlement are part of the problem definition but uncertainties in their relative roles limits the ability to validate the model. Sample calculations of wear depth versus time in the cladding illustrate how GTRF wear might occur in a discontinuous fashion during months-long reactor operating cycles. A means to account for grid/rod gaps and repetitive impact effects on GTRF wear is proposed« less

Computational study of collisions between O({sup 3}P) and NO({sup 2}Π) at temperatures relevant to the hypersonic flight regime

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

Castro-Palacio, Juan Carlos; Nagy, Tibor; Meuwly, Markus, E-mail: m.meuwly@unibas.ch

2014-10-28

Reactions involving N and O atoms dominate the energetics of the reactive air flow around spacecraft when reentering the atmosphere in the hypersonic flight regime. For this reason, the thermal rate coefficients for reactive processes involving O({sup 3}P) and NO({sup 2}Π) are relevant over a wide range of temperatures. For this purpose, a potential energy surface (PES) for the ground state of the NO{sub 2} molecule is constructed based on high-level ab initio calculations. These ab initio energies are represented using the reproducible kernel Hilbert space method and Legendre polynomials. The global PES of NO{sub 2} in the ground statemore » is constructed by smoothly connecting the surfaces of the grids of various channels around the equilibrium NO{sub 2} geometry by a distance-dependent weighting function. The rate coefficients were calculated using Monte Carlo integration. The results indicate that at high temperatures only the lowest A-symmetry PES is relevant. At the highest temperatures investigated (20 000 K), the rate coefficient for the “O1O2+N” channel becomes comparable (to within a factor of around three) to the rate coefficient of the oxygen exchange reaction. A state resolved analysis shows that the smaller the vibrational quantum number of NO in the reactants, the higher the relative translational energy required to open it and conversely with higher vibrational quantum number, less translational energy is required. This is in accordance with Polanyi's rules. However, the oxygen exchange channel (NO2+O1) is accessible at any collision energy. Finally, this work introduces an efficient computational protocol for the investigation of three-atom collisions in general.« less

Computational study of collisions between O(3P) and NO(2Π) at temperatures relevant to the hypersonic flight regime.

PubMed

Castro-Palacio, Juan Carlos; Nagy, Tibor; Bemish, Raymond J; Meuwly, Markus

2014-10-28

Reactions involving N and O atoms dominate the energetics of the reactive air flow around spacecraft when reentering the atmosphere in the hypersonic flight regime. For this reason, the thermal rate coefficients for reactive processes involving O((3)P) and NO((2)Π) are relevant over a wide range of temperatures. For this purpose, a potential energy surface (PES) for the ground state of the NO2 molecule is constructed based on high-level ab initio calculations. These ab initio energies are represented using the reproducible kernel Hilbert space method and Legendre polynomials. The global PES of NO2 in the ground state is constructed by smoothly connecting the surfaces of the grids of various channels around the equilibrium NO2 geometry by a distance-dependent weighting function. The rate coefficients were calculated using Monte Carlo integration. The results indicate that at high temperatures only the lowest A-symmetry PES is relevant. At the highest temperatures investigated (20,000 K), the rate coefficient for the "O1O2+N" channel becomes comparable (to within a factor of around three) to the rate coefficient of the oxygen exchange reaction. A state resolved analysis shows that the smaller the vibrational quantum number of NO in the reactants, the higher the relative translational energy required to open it and conversely with higher vibrational quantum number, less translational energy is required. This is in accordance with Polanyi's rules. However, the oxygen exchange channel (NO2+O1) is accessible at any collision energy. Finally, this work introduces an efficient computational protocol for the investigation of three-atom collisions in general.

Potentialities of silicon nanowire forests for thermoelectric generation

NASA Astrophysics Data System (ADS)

Dimaggio, Elisabetta; Pennelli, Giovanni

2018-04-01

Silicon is a material with very good thermoelectric properties, with regard to Seebeck coefficient and electrical conductivity. Low thermal conductivities, and hence high thermal to electrical conversion efficiencies, can be achieved in nanostructures, which are smaller than the phonon mean free path but large enough to preserve the electrical conductivity. We demonstrate that it is possible to fabricate a leg of a thermoelectric generator based on large collections of long nanowires, placed perpendicularly to the two faces of a silicon wafer. The process exploits the metal assisted etching technique which is simple, low cost, and can be easily applied to large surfaces. Copper can be deposited by electrodeposition on both faces, so that contacts can be provided, on top of the nanowires. Thermal conductivity of silicon nanowire forests with more than 107 nanowires mm-2 have been measured; the result is comparable with that achieved by several groups on devices based on few nanowires. On the basis of the measured parameters, numerical calculations of the efficiency of silicon-based thermoelectric generators are reported, and the potentialities of these devices for thermal to electrical energy conversion are shown. Criteria to improve the conversion efficiency are suggested and described.

Influence of speech sample on perceptual rating of hypernasality.

PubMed

Medeiros, Maria Natália Leite de; Fukushiro, Ana Paula; Yamashita, Renata Paciello

2016-07-07

To investigate the influence of speech sample of spontaneous conversation or sentences repetition on intra and inter-rater hypernasality reliability. One hundred and twenty audio recorded speech samples (60 containing spontaneous conversation and 60 containing repeated sentences) of individuals with repaired cleft palate±lip, both genders, aged between 6 and 52 years old (mean=21±10) were selected and edited. Three experienced speech and language pathologists rated hypernasality according to their own criteria using 4-point scale: 1=absence of hypernasality, 2=mild hypernasality, 3=moderate hypernasality and 4=severe hypernasality, first in spontaneous speech samples and 30 days after, in sentences repetition samples. Intra- and inter-rater agreements were calculated for both speech samples and were statistically compared by the Z test at a significance level of 5%. Comparison of intra-rater agreements between both speech samples showed an increase of the coefficients obtained in the analysis of sentences repetition compared to those obtained in spontaneous conversation. Comparison between inter-rater agreement showed no significant difference among the three raters for the two speech samples. Sentences repetition improved intra-raters reliability of perceptual judgment of hypernasality. However, the speech sample had no influence on reliability among different raters.

Efficient Photothermoelectric Conversion in Lateral Topological Insulator Heterojunctions.

PubMed

Mashhadi, Soudabeh; Duong, Dinh Loc; Burghard, Marko; Kern, Klaus

2017-01-11

Tuning the electron and phonon transport properties of thermoelectric materials by nanostructuring has enabled improving their thermopower figure of merit. Three-dimensional topological insulators, including many bismuth chalcogenides, attract increasing attention for this purpose, as their topologically protected surface states are promising to further enhance the thermoelectric performance. While individual bismuth chalcogenide nanostructures have been studied with respect to their photothermoelectric properties, nanostructured p-n junctions of these compounds have not yet been explored. Here, we experimentally investigate the room temperature thermoelectric conversion capability of lateral heterostructures consisting of two different three-dimensional topological insulators, namely, the n-type doped Bi 2 Te 2 Se and the p-type doped Sb 2 Te 3 . Scanning photocurrent microscopy of the nanoplatelets reveals efficient thermoelectric conversion at the p-n heterojunction, exploiting hot carriers of opposite sign in the two materials. From the photocurrent data, a Seebeck coefficient difference of ΔS = 200 μV/K was extracted, in accordance with the best values reported for the corresponding bulk materials. Furthermore, it is in very good agreement with the value of ΔS = 185 μV/K obtained by DFT calculation taking into account the specific doping levels of the two nanostructured components.

Analytical scheme calculations of angular momentum coupling and recoupling coefficients

NASA Astrophysics Data System (ADS)

Deveikis, A.; Kuznecovas, A.

2007-03-01

We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages.

Nationwide conversion to generic tacrolimus in pediatric kidney transplant recipients.

PubMed

Naicker, Derisha; Reed, Peter W; Ronaldson, Jane; Kara, Tonya; Wong, William; Prestidge, Chanel

2017-11-01

Bioequivalence between Tacrolimus Prograf® and generic tacrolimus formulations has been demonstrated in adult populations, however clinical experience and safety data regarding generic tacrolimus in pediatric transplant recipients is limited. This study aimed to evaluate conversion from Tacrolimus Prograf® to Sandoz® in pediatric renal transplant recipients nationwide. The primary outcome was a change in mean trough tacrolimus concentration. Additionally, changes in tacrolimus intra-patient coefficient of variation (CoV), allograft function, requirement for dose adjustments, and episodes of biopsy-proven rejection were evaluated. Retrospective cohort study in 37 pediatric renal transplant recipients who switched to Tacrolimus Sandoz®. Each patient had three pre-conversion tacrolimus trough and creatinine concentrations within the 4 months prior and three post-conversion concentrations on day 3, 10, and the next subsequent level. Mean pre- and post-conversion tacrolimus trough concentrations and glomerular filtration rate (eGFR) were calculated. Tacrolimus concentration, CoV, and creatinine differences were compared by paired t test. Thirty-seven patients (41% females, age 3-18 years) were included. Average intra-patient difference in trough tacrolimus concentration was 0.05μg/l (95% CI -0.37 to 0.47). Average intra-patient difference in eGFR was -1.20 ml/min/1.73 2 (95% CI -3.53 to 1.13). Three patients had acute rejection during 12 months post-conversion compared to none during 12 months pre-conversion. Pediatric renal transplant recipients can be converted from Tacrolimus Prograf® to Sandoz® with negligible change in trough concentration, dose adjustments, or immediate allograft function. Of concern was the number of acute rejection episodes, however non-adherence contributed to at least one episode and this difference was determined clinically and statistically not significant.

Validation of the Conversion between the Mini-Mental State Examination and Montreal Cognitive assessment in Korean Patients with Parkinson’s Disease

PubMed Central

Kim, Ryul; Kim, Han-Joon; Kim, Aryun; Jang, Mi-Hee; Kim, Hyun Jeong; Jeon, Beomseok

2018-01-01

Objective Two conversion tables between the Mini-Mental State Examination (MMSE) and Montreal Cognitive Assessment (MoCA) have recently been established for Parkinson’s disease (PD). This study aimed to validate them in Korean patients with PD and to evaluate whether they could be influenced by educational level. Methods A total of 391 patients with PD who undertook both the Korean MMSE and the Korean MoCA during the same session were retrospectively assessed. The mean, median, and root mean squared error (RMSE) of the difference between the true and converted MMSE scores and the intraclass correlation coefficient (ICC) were calculated according to educational level (6 or fewer years, 7–12 years, or 13 or more years). Results Both conversions had a median value of 0, with a small mean and RMSE of differences, and a high correlation between the true and converted MMSE scores. In the classification according to educational level, all groups had roughly similar values of the median, mean, RMSE, and ICC both within and between the conversions. Conclusion Our findings suggest that both MMSE-MoCA conversion tables are useful instruments for transforming MoCA scores into converted MMSE scores in Korean patients with PD, regardless of educational level. These will greatly enhance the utility of the existing cognitive data from the Korean PD population in clinical and research settings. PMID:29316782

Towards the reanalysis of void coefficients measurements at proteus for high conversion light water reactor lattices

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

Hursin, M.; Koeberl, O.; Perret, G.

2012-07-01

High Conversion Light Water Reactors (HCLWR) allows a better usage of fuel resources thanks to a higher breeding ratio than standard LWR. Their uses together with the current fleet of LWR constitute a fuel cycle thoroughly studied in Japan and the US today. However, one of the issues related to HCLWR is their void reactivity coefficient (VRC), which can be positive. Accurate predictions of void reactivity coefficient in HCLWR conditions and their comparisons with representative experiments are therefore required. In this paper an inter comparison of modern codes and cross-section libraries is performed for a former Benchmark on Void Reactivitymore » Effect in PWRs conducted by the OECD/NEA. It shows an overview of the k-inf values and their associated VRC obtained for infinite lattice calculations with UO{sub 2} and highly enriched MOX fuel cells. The codes MCNPX2.5, TRIPOLI4.4 and CASMO-5 in conjunction with the libraries ENDF/B-VI.8, -VII.0, JEF-2.2 and JEFF-3.1 are used. A non-negligible spread of results for voided conditions is found for the high content MOX fuel. The spread of eigenvalues for the moderated and voided UO{sub 2} fuel are about 200 pcm and 700 pcm, respectively. The standard deviation for the VRCs for the UO{sub 2} fuel is about 0.7% while the one for the MOX fuel is about 13%. This work shows that an appropriate treatment of the unresolved resonance energy range is an important issue for the accurate determination of the void reactivity effect for HCLWR. A comparison to experimental results is needed to resolve the presented discrepancies. (authors)« less

A toy model for hostility between two populations in dependency on their internal frustration

NASA Astrophysics Data System (ADS)

Wieder, Thomas

2014-10-01

Hostility between two populations n and m is described in terms of a first-order differential equation system for the population sizes n(t) and m(t) over time t. Each population is subdivided into two subpopulations 'Doves' and 'Hawks'. Hawks represent the strategy aggression against the other population. The number of hawks which actually exert aggression depends on the overall frustration within their population. Conversely, aggression causes the conversion from doves to hawks in the attacked population. Thus, a system of flows among the subpopulation is established. The actual behaviour of n(t) and m(t) over time t depends on the coefficients chosen for the differential system and in particular on the temporal development of the frustration parameters. No calculation or simulation of actual population sizes is intended. The only goal of the paper is to establish a model which describes an never ending conflict between both populations caused by internal frustrations.

Co-sensitization of natural dyes for improved efficiency in dye-sensitized solar cell application

NASA Astrophysics Data System (ADS)

Kumar, K. Ashok; Subalakshmi, K.; Senthilselvan, J.

2016-05-01

In this paper, a new approach of co-sensitized DSSC based on natural dyes is investigated to explore the possible way to improve the power conversion efficiency. To realize this purpose 10 DSSC devices were fabricated using mono-sensitization and co-sensitization of ethanolic extracts of natural dye sensitizers obtained from Cactus fruit, Jambolana fruit, Curcumin and Bermuda grass. The optical absorption spectrum of the mono and hybrid dye extracts were studied by UV-Visible absorption spectrum. It shows the characteristic absorption peaks in visible region corresponds to the presence of natural pigments of anthocyanin, betacyanin and chlorophylls. Absorption spectrum of hybrid dyes reveals a wide absorption band in visible region with improved extinction co-efficient and it is favorable for increased light harvesting nature. The power conversion efficiency of DSSC devices were calculated using J-V curve and the maximum efficiency achieved in the present work is noted to be ~0.61% for Cactus-Bermuda co-sensitized DSSC.

New evaluated radioxenon decay data and its implications in nuclear explosion monitoring.

PubMed

Galan, Monica; Kalinowski, Martin; Gheddou, Abdelhakim; Yamba, Kassoum

2018-03-07

This work presents the last updated evaluations of the nuclear and decay data of the four radioxenon isotopes of interest for the Comprehensive Nuclear-Test-Ban Treaty (CTBT): Xe-131 m, Xe-133, Xe-133 m and Xe-135. This includes the most recent measured values on the half-lives, gamma emission probabilities (Pγ) and internal conversion coefficients (ICC). The evaluation procedure has been made within the Decay Data Evaluation Project (DDEP) framework and using the latest available versions of nuclear and atomic data evaluation software tools and compilations. The consistency of the evaluations was confirmed by the very close result between the total available energy calculated with the present evaluated data and the tabulated Q-value. The article also analyzes the implications on the variation of the activity ratio calculations from radioxenon monitoring facilities depending on the nuclear database of reference. Copyright © 2018. Published by Elsevier Ltd.

Zernike expansion coefficients: rescaling and decentring for different pupils and evaluation of corneal aberrations

NASA Astrophysics Data System (ADS)

Comastri, Silvia A.; Perez, Liliana I.; Pérez, Gervasio D.; Martin, Gabriel; Bastida, Karina

2007-03-01

An analytical method to convert the set of Zernike coefficients that fits the wavefront aberration for a pupil into another corresponding to a contracted and horizontally translated pupil is proposed. The underlying selection rules are provided and the resulting conversion formulae for a seventh-order expansion are given. These formulae are applied to calculate corneal aberrations referred to a given pupil centre in terms of those referred to the keratometric vertex supplied by the SN CT1000 topographer. Four typical cases are considered: a sphere and three eyes—normal, keratoconic and post-LASIK. When the pupil centre is fixed and the pupil diameter decreases from 6 mm to the photopic natural one, leaving aside piston, tilt and defocus, the difference between the root mean square wavefront error computed with the formulae and the topographer is less than 0.04 µm. When the pupil diameter is kept equal to the natural one and the pupil centre is displaced, coefficients vary according to the eye. For a 0.3 mm pupil shift, the variation of coma is at most 0.35 µm and that of spherical aberration 0.01 µm.

Continuous-energy eigenvalue sensitivity coefficient calculations in TSUNAMI-3D

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

Perfetti, C. M.; Rearden, B. T.

2013-07-01

Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several test problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and a low memory footprint, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations. (authors)

Development of a SCALE Tool for Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

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

Perfetti, Christopher M; Rearden, Bradley T

2013-01-01

Two methods for calculating eigenvalue sensitivity coefficients in continuous-energy Monte Carlo applications were implemented in the KENO code within the SCALE code package. The methods were used to calculate sensitivity coefficients for several criticality safety problems and produced sensitivity coefficients that agreed well with both reference sensitivities and multigroup TSUNAMI-3D sensitivity coefficients. The newly developed CLUTCH method was observed to produce sensitivity coefficients with high figures of merit and low memory requirements, and both continuous-energy sensitivity methods met or exceeded the accuracy of the multigroup TSUNAMI-3D calculations.

MO-E-17A-08: Attenuation-Based Size Adjusted, Scanner-Independent Organ Dose Estimates for Head CT Exams: TG 204 for Head CT

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

McMillan, K; Bostani, M; Cagnon, C

Purpose: AAPM Task Group 204 described size specific dose estimates (SSDE) for body scans. The purpose of this work is to use a similar approach to develop patient-specific, scanner-independent organ dose estimates for head CT exams using an attenuation-based size metric. Methods: For eight patient models from the GSF family of voxelized phantoms, dose to brain and lens of the eye was estimated using Monte Carlo simulations of contiguous axial scans for 64-slice MDCT scanners from four major manufacturers. Organ doses were normalized by scannerspecific 16 cm CTDIvol values and averaged across all scanners to obtain scanner-independent CTDIvol-to-organ-dose conversion coefficientsmore » for each patient model. Head size was measured at the first slice superior to the eyes; patient perimeter and effective diameter (ED) were measured directly from the GSF data. Because the GSF models use organ identification codes instead of Hounsfield units, water equivalent diameter (WED) was estimated indirectly. Using the image data from 42 patients ranging from 2 weeks old to adult, the perimeter, ED and WED size metrics were obtained and correlations between each metric were established. Applying these correlations to the GSF perimeter and ED measurements, WED was calculated for each model. The relationship between the various patient size metrics and CTDIvol-to-organ-dose conversion coefficients was then described. Results: The analysis of patient images demonstrated the correlation between WED and ED across a wide range of patient sizes. When applied to the GSF patient models, an exponential relationship between CTDIvol-to-organ-dose conversion coefficients and the WED size metric was observed with correlation coefficients of 0.93 and 0.77 for the brain and lens of the eye, respectively. Conclusion: Strong correlation exists between CTDIvol normalized brain dose and WED. For the lens of the eye, a lower correlation is observed, primarily due to surface dose variations. Funding Support: Siemens-UCLA Radiology Master Research Agreement; Disclosures - Michael McNitt-Gray: Institutional Research Agreement, Siemens AG; Research Support, Siemens AG; Consultant, Flaherty Sensabaugh Bonasso PLLC; Consultant, Fulbright and Jaworski.« less

Integral neutron kerma coefficient ratios for silicon, iron, and oxygen to carbon on the energy range from 15 to 30 MeV

NASA Astrophysics Data System (ADS)

Miranda, Juan Gustavo

2001-07-01

Kerma coefficient ratios are reported for carbon to oxygen, silicon, and iron in the energy range of 15 to 30 MeV. The determination was done by measuring dose to the gas of proportional counters exposed to a well characterized neutron field. The measured dose in the proportional counter gas was then converted to dose in the proportional counter wall material applying Bragg-Gray theory. The proportional counters were made of the material of interest. The oxygen measurement was done by irradiating simultaneously zirconium and zirconium oxide proportional counters and substracting the dose to the zirconium from the zirconium oxide. Neutrons were generated with the UW Tandem Accelerator. The reaction 3H(d, n)4 He provided our neutron source which consisted of monoenergetic neutrons. Neutron spectra measurements were carried out for the 27.3 MeV neutron energy. This was necessary because of the presence of contaminating breakup neutrons at this energy. The spectra were measured with a pulse beam time-of-flight spectrometer and a NE-213 liquid scintillator. The dose conversion factor r is reported for carbon, oxygen, silicon, iron, zirconium, and zirconium oxide relative to TE-propane gas at neutron energies of 20, 23 and 27 MeV. The factor r, which relates the dose to the gas to that of the proportional counter through the Bragg-Gray theory, was calculated from angle integrated differential cross sections. This required a calculation of the initial energy spectra as well as the differential secondary charged particle energy spectra and for the first time a complete treatment of all heavy ions is considered. Furthermore, as the conditions required to apply the Bragg-Gray theory are difficult to satisfy (infinitesimal cavity), we report the calculation of the dose conversion factor r for the finite cavity case for carbon/TE-gas in order to test the validity of the application of the theory to this type of applications. We found that the two conditions of the Bragg-Gray theory are violated: the differential secondary charged particle spectrum is perturbed by the presence of the cavity and that the dose absorbed in the cavity is not enteraly deposited by the particles crossing it. However, these changes in the spectra and the dose deposition are not very sensitive to the conversion factor r because this factor only reflects the ratio of these changes. Our results are found to be in agreement, within the uncertainty associated to the determination, with previous published values when comparable data exits.

Conversion of time-varying Stokes coefficients into mass anomalies at the Earth's surface considering the Earth's oblateness

NASA Astrophysics Data System (ADS)

Ditmar, Pavel

2018-02-01

Time-varying Stokes coefficients estimated from GRACE satellite data are routinely converted into mass anomalies at the Earth's surface with the expression proposed for that purpose by Wahr et al. (J Geophys Res 103(B12):30,205-30,229, 1998). However, the results obtained with it represent mass transport at the spherical surface of 6378 km radius. We show that the accuracy of such conversion may be insufficient, especially if the target area is located in a polar region and the signal-to-noise ratio is high. For instance, the peak values of mean linear trends in 2003-2015 estimated over Greenland and Amundsen Sea embayment of West Antarctica may be underestimated in this way by about 15%. As a solution, we propose an updated expression for the conversion of Stokes coefficients into mass anomalies. This expression is based on the assumptions that: (i) mass transport takes place at the reference ellipsoid and (ii) at each point of interest, the ellipsoidal surface is approximated by the sphere with a radius equal to the current radial distance from the Earth's center ("locally spherical approximation"). The updated expression is nearly as simple as the traditionally used one but reduces the inaccuracies of the conversion procedure by an order of magnitude. In addition, we remind the reader that the conversion expressions are defined in spherical (geocentric) coordinates. We demonstrate that the difference between mass anomalies computed in spherical and ellipsoidal (geodetic) coordinates may not be negligible, so that a conversion of geodetic colatitudes into geocentric ones should not be omitted.

Simultaneous estimation of transcutaneous bilirubin, hemoglobin, and melanin based on diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Nishidate, Izumi; Abdul, Wares MD.; Ohtsu, Mizuki; Nakano, Kazuya; Haneishi, Hideaki

2018-02-01

We propose a method to estimate transcutaneous bilirubin, hemoglobin, and melanin based on the diffuse reflectance spectroscopy. In the proposed method, the Monte Carlo simulation-based multiple regression analysis for an absorbance spectrum in the visible wavelength region (460-590 nm) is used to specify the concentrations of bilirubin (Cbil), oxygenated hemoglobin (Coh), deoxygenated hemoglobin (Cdh), and melanin (Cm). Using the absorbance spectrum calculated from the measured diffuse reflectance spectrum as a response variable and the extinction coefficients of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, as predictor variables, multiple regression analysis provides regression coefficients. Concentrations of bilirubin, oxygenated hemoglobin, deoxygenated hemoglobin, and melanin, are then determined from the regression coefficients using conversion vectors that are numerically deduced in advance by the Monte Carlo simulations for light transport in skin. Total hemoglobin concentration (Cth) and tissue oxygen saturation (StO2) are simply calculated from the oxygenated hemoglobin and deoxygenated hemoglobin. In vivo animal experiments with bile duct ligation in rats demonstrated that the estimated Cbil is increased after ligation of bile duct and reaches to around 20 mg/dl at 72 h after the onset of the ligation, which corresponds to the reference value of Cbil measured by a commercially available transcutaneous bilirubin meter. We also performed in vivo experiments with rats while varying the fraction of inspired oxygen (FiO2). Coh and Cdh decreased and increased, respectively, as FiO2 decreased. Consequently, StO2 was dramatically decreased. The results in this study indicate potential of the method for simultaneous evaluation of multiple chromophores in skin tissue.

Radiometer offsets and count conversion coefficients for the Earth Radiation Budget Experiment (ERBE) spacecraft for the years 1987, 1988, and 1989

NASA Technical Reports Server (NTRS)

Paden, Jack; Pandey, Dhirendra K.; Stassi, Joseph C.; Wilson, Robert; Bolden, William; Thomas, Susan; Gibson, M. Alan

1993-01-01

This document contains a compendium of the ground and in-flight scanner and non-scanner offsets and count conversion (gain) coefficients used for the Earth Radiation Budget Experiment (ERBE) production processing of data from the ERBS satellite for the period from 1 January 1987 to 31 December 1989; for the NOAA-9 satellite, for the month of January 1987; and for the NOAA-10 satellite, for the period from 1 January 1987 to 31 May 1989.

Reactivity Coefficient Calculation for AP1000 Reactor Using the NODAL3 Code

NASA Astrophysics Data System (ADS)

Pinem, Surian; Malem Sembiring, Tagor; Tukiran; Deswandri; Sunaryo, Geni Rina

2018-02-01

The reactivity coefficient is a very important parameter for inherent safety and stability of nuclear reactors operation. To provide the safety analysis of the reactor, the calculation of changes in reactivity caused by temperature is necessary because it is related to the reactor operation. In this paper, the temperature reactivity coefficients of fuel and moderator of the AP1000 core are calculated, as well as the moderator density and boron concentration. All of these coefficients are calculated at the hot full power condition (HFP). All neutron diffusion constant as a function of temperature, water density and boron concentration were generated by the SRAC2006 code. The core calculations for determination of the reactivity coefficient parameter are done by using NODAL3 code. The calculation results show that the fuel temperature, moderator temperature and boron reactivity coefficients are in the range between -2.613 pcm/°C to -4.657pcm/°C, -1.00518 pcm/°C to 1.00649 pcm/°C and -9.11361 pcm/ppm to -8.0751 pcm/ppm, respectively. For the water density reactivity coefficients, the positive reactivity occurs at the water temperature less than 190 °C. The calculation results show that the reactivity coefficients are accurate because the results have a very good agreement with the design value.

FPGA/NIOS Implementation of an Adaptive FIR Filter Using Linear Prediction to Reduce Narrow-Band RFI for Radio Detection of Cosmic Rays

NASA Astrophysics Data System (ADS)

Szadkowski, Zbigniew; Fraenkel, E. D.; van den Berg, Ad M.

2013-10-01

We present the FPGA/NIOS implementation of an adaptive finite impulse response (FIR) filter based on linear prediction to suppress radio frequency interference (RFI). This technique will be used for experiments that observe coherent radio emission from extensive air showers induced by ultra-high-energy cosmic rays. These experiments are designed to make a detailed study of the development of the electromagnetic part of air showers. Therefore, these radio signals provide information that is complementary to that obtained by water-Cherenkov detectors which are predominantly sensitive to the particle content of an air shower at ground. The radio signals from air showers are caused by the coherent emission due to geomagnetic and charge-excess processes. These emissions can be observed in the frequency band between 10-100 MHz. However, this frequency range is significantly contaminated by narrow-band RFI and other human-made distortions. A FIR filter implemented in the FPGA logic segment of the front-end electronics of a radio sensor significantly improves the signal-to-noise ratio. In this paper we discuss an adaptive filter which is based on linear prediction. The coefficients for the linear predictor (LP) are dynamically refreshed and calculated in the embedded NIOS processor, which is implemented in the same FPGA chip. The Levinson recursion, used to obtain the filter coefficients, is also implemented in the NIOS and is partially supported by direct multiplication in the DSP blocks of the logic FPGA segment. Tests confirm that the LP can be an alternative to other methods involving multiple time-to-frequency domain conversions using an FFT procedure. These multiple conversions draw heavily on the power consumption of the FPGA and are avoided by the linear prediction approach. Minimization of the power consumption is an important issue because the final system will be powered by solar panels. The FIR filter has been successfully tested in the Altera development kits with the EP4CE115F29C7 from the Cyclone IV family and the EP3C120F780C7 from the Cyclone III family at a 170 MHz sampling rate, a 12-bit I/O resolution, and an internal 30-bit dynamic range. Most of the slow floating-point NIOS calculations have been moved to the FPGA logic segments as extended fixed-point operations, which significantly reduced the refreshing time of the coefficients used in the LP. We conclude that the LP is a viable alternative to other methods such as non-adaptive methods involving digital notch filters or multiple time-to-frequency domain conversions using an FFT procedure.

Towards improved hardware component attenuation correction in PET/MR hybrid imaging

NASA Astrophysics Data System (ADS)

Paulus, D. H.; Tellmann, L.; Quick, H. H.

2013-11-01

In positron emission tomography/computed tomography (PET/CT) hybrid imaging attenuation correction (AC) of the patient tissue and patient table is performed by converting the CT-based Hounsfield units (HU) to linear attenuation coefficients (LAC) of PET. When applied to the new field of hardware component AC in PET/magnetic resonance (MR) hybrid imaging, this conversion method may result in local overcorrection of PET activity values. The aim of this study thus was to optimize the conversion parameters for CT-based AC of hardware components in PET/MR. Systematic evaluation and optimization of the HU to LAC conversion parameters has been performed for the hardware component attenuation map (µ-map) of a flexible radiofrequency (RF) coil used in PET/MR imaging. Furthermore, spatial misregistration of this RF coil to its µ-map was simulated by shifting the µ-map in different directions and the effect on PET quantification was evaluated. Measurements of a PET NEMA standard emission phantom were performed on an integrated hybrid PET/MR system. Various CT parameters were used to calculate different µ-maps for the flexible RF coil and to evaluate the impact on the PET activity concentration. A 511 keV transmission scan of the local RF coil was used as standard of reference to adapt the slope of the conversion from HUs to LACs at 511 keV. The average underestimation of the PET activity concentration due to the non-attenuation corrected RF coil in place was calculated to be 5.0% in the overall phantom. When considering attenuation only in the upper volume of the phantom, the average difference to the reference scan without RF coil is 11.0%. When the PET/CT conversion is applied, an average overestimation of 3.1% (without extended CT scale) and 4.2% (with extended CT scale) is observed in the top volume of the NEMA phantom. Using the adapted conversion resulting from this study, the deviation in the top volume of the phantom is reduced to -0.5% and shows the lowest standard deviation inside the phantom in comparison to all other conversions. Simulation of a µ-map misregistration shows acceptable results for shifts below 5 mm for the flexible surface RF coil. The adapted conversion from HUs to LAC at 511 keV within this study can improve hardware component AC in PET/MR hybrid imaging as shown for a flexible RF surface coil. Furthermore, these results have a direct impact on the improvement of the hardware component AC of the examined flexible RF coil in conjunction with position determination.

The conversion of exposures due to radon into the effective dose: the epidemiological approach.

PubMed

Beck, T R

2017-11-01

The risks and dose conversion coefficients for residential and occupational exposures due to radon were determined with applying the epidemiological risk models to ICRP representative populations. The dose conversion coefficient for residential radon was estimated with a value of 1.6 mSv year -1 per 100 Bq m -3 (3.6 mSv per WLM), which is significantly lower than the corresponding value derived from the biokinetic and dosimetric models. The dose conversion coefficient for occupational exposures with applying the risk models for miners was estimated with a value of 14 mSv per WLM, which is in good accordance with the results of the dosimetric models. To resolve the discrepancy regarding residential radon, the ICRP approaches for the determination of risks and doses were reviewed. It could be shown that ICRP overestimates the risk for lung cancer caused by residential radon. This can be attributed to a wrong population weighting of the radon-induced risks in its epidemiological approach. With the approach in this work, the average risks for lung cancer were determined, taking into account the age-specific risk contributions of all individuals in the population. As a result, a lower risk coefficient for residential radon was obtained. The results from the ICRP biokinetic and dosimetric models for both, the occupationally exposed working age population and the whole population exposed to residential radon, can be brought in better accordance with the corresponding results of the epidemiological approach, if the respective relative radiation detriments and a radiation-weighting factor for alpha particles of about ten are used.

The impact of anthropometric patient-phantom matching on organ dose: A hybrid phantom study for fluoroscopy guided interventions

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

Johnson, Perry B.; Geyer, Amy; Borrego, David

Purpose: To investigate the benefits and limitations of patient-phantom matching for determining organ dose during fluoroscopy guided interventions. Methods: In this study, 27 CT datasets representing patients of different sizes and genders were contoured and converted into patient-specific computational models. Each model was matched, based on height and weight, to computational phantoms selected from the UF hybrid patient-dependent series. In order to investigate the influence of phantom type on patient organ dose, Monte Carlo methods were used to simulate two cardiac projections (PA/left lateral) and two abdominal projections (RAO/LPO). Organ dose conversion coefficients were then calculated for each patient-specific andmore » patient-dependent phantom and also for a reference stylized and reference hybrid phantom. The coefficients were subsequently analyzed for any correlation between patient-specificity and the accuracy of the dose estimate. Accuracy was quantified by calculating an absolute percent difference using the patient-specific dose conversion coefficients as the reference. Results: Patient-phantom matching was shown most beneficial for estimating the dose to heavy patients. In these cases, the improvement over using a reference stylized phantom ranged from approximately 50% to 120% for abdominal projections and for a reference hybrid phantom from 20% to 60% for all projections. For lighter individuals, patient-phantom matching was clearly superior to using a reference stylized phantom, but not significantly better than using a reference hybrid phantom for certain fields and projections. Conclusions: The results indicate two sources of error when patients are matched with phantoms: Anatomical error, which is inherent due to differences in organ size and location, and error attributed to differences in the total soft tissue attenuation. For small patients, differences in soft tissue attenuation are minimal and are exceeded by inherent anatomical differences. For large patients, difference in soft tissue attenuation can be large. In these cases, patient-phantom matching proves most effective as differences in soft tissue attenuation are mitigated. With increasing obesity rates, overweight patients will continue to make up a growing fraction of all patients undergoing medical imaging. Thus, having phantoms that better represent this population represents a considerable improvement over previous methods. In response to this study, additional phantoms representing heavier weight percentiles will be added to the UFHADM and UFHADF patient-dependent series.« less

Estimation of biomedical optical properties by simultaneous use of diffuse reflectometry and photothermal radiometry: investigation of light propagation models

NASA Astrophysics Data System (ADS)

Fonseca, E. S. R.; de Jesus, M. E. P.

2007-07-01

The estimation of optical properties of highly turbid and opaque biological tissue is a difficult task since conventional purely optical methods rapidly loose sensitivity as the mean photon path length decreases. Photothermal methods, such as pulsed or frequency domain photothermal radiometry (FD-PTR), on the other hand, show remarkable sensitivity in experimental conditions that produce very feeble optical signals. Photothermal Radiometry is primarily sensitive to absorption coefficient yielding considerably higher estimation errors on scattering coefficients. Conversely, purely optical methods such as Local Diffuse Reflectance (LDR) depend mainly on the scattering coefficient and yield much better estimates of this parameter. Therefore, at moderate transport albedos, the combination of photothermal and reflectance methods can improve considerably the sensitivity of detection of tissue optical properties. The authors have recently proposed a novel method that combines FD-PTR with LDR, aimed at improving sensitivity on the determination of both optical properties. Signal analysis was performed by global fitting the experimental data to forward models based on Monte-Carlo simulations. Although this approach is accurate, the associated computational burden often limits its use as a forward model. Therefore, the application of analytical models based on the diffusion approximation offers a faster alternative. In this work, we propose the calculation of the diffuse reflectance and the fluence rate profiles under the δ-P I approximation. This approach is known to approximate fluence rate expressions better close to collimated sources and boundaries than the standard diffusion approximation (SDA). We extend this study to the calculation of the diffuse reflectance profiles. The ability of the δ-P I based model to provide good estimates of the absorption, scattering and anisotropy coefficients is tested against Monte-Carlo simulations over a wide range of scattering to absorption ratios. Experimental validation of the proposed method is accomplished by a set of measurements on solid absorbing and scattering phantoms.

Calculations on the rate of the ion-molecule reaction between NH3(+) and H2

NASA Technical Reports Server (NTRS)

Herbst, Eric; Defrees, D. J.; Talbi, D.; Pauzat, F.; Koch, W.

1991-01-01

The rate coefficient for the ion-molecule reaction NH3(+) + H2 yields NH4(+) + H has been calculated as a function of temperature with the use of the statistical phase space approach. The potential surface and reaction complex and transition state parameters used in the calculation have been taken from ab initio quantum chemical calculations. The calculated rate coefficient has been found to mimic the unusual temperature dependence measured in the laboratory, in which the rate coefficient decreases with decreasing temperature until 50-100 K and then increases at still lower temperatures. Quantitative agreement between experimental and theoretical rate coefficients is satisfactory given the uncertainties in the ab initio results and in the dynamics calculations. The rate coefficient for the unusual three-body process NH3(+) + H2 + He yields NH4(+) + H + He has also been calculated as a function of temperature and the result found to agree well with a previous laboratory determination.

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

Kaufman, A.N.; Morehead, J.J.; Brizard, A.J.

Linear conversion of an incoming magnetosonic wave (a.k.a. fast or compressional wave) to an ion-hybrid wave can be considered as a 3-step process in ray phase space. This is demonstrated by casting the cold-fluid model into the Friedland-Kaufman normal form for linear mode conversion. First, the incoming magnetosonic ray (MSR) converts a fraction of its action to an {ital intermediate} ion-hybrid ray (IHR), with the transmitted ray proceeding through the conversion layer. The IHR propagates in k-space to a {ital second} conversion point, where it converts in turn a fraction of its action into a {ital reflected} MSR, with themore » remainder of the its action constituting the {ital converted} IHR. The modular approach gives {ital exact} agreement with the more standard Budden formulation for the transmission, reflection and conversion coefficients, but has the important advantage of exposing the intermediate IHR. The existence of the intermediate IHR has important physical consequences as it can resonate with {alpha} particles. We estimate the time-integrated damping coefficient between the two conversions and show that {integral}{gamma}dt is of order {minus}100, thus the IH wave is completely annihilated between conversions and transfers its energy to the {alpha}{close_quote}s. This suggests that proposals to use the IH mode for current drive or DT heating are likely to fail in the presence of fusion {alpha}{close_quote}s. {copyright} {ital 1997 American Institute of Physics.}« less

Interactions of satellite-speed helium atoms with satellite surfaces. 3: Drag coefficients from spatial and energy distributions of reflected helium atoms

NASA Technical Reports Server (NTRS)

Sharma, P. K.; Knuth, E. L.

1977-01-01

Spatial and energy distributions of helium atoms scattered from an anodized 1235-0 aluminum surface as well as the tangential and normal momentum accommodation coefficients calculated from these distributions are reported. A procedure for calculating drag coefficients from measured values of spatial and energy distributions is given. The drag coefficient calculated for a 6061 T-6 aluminum sphere is included.

Conversion of laser energy to gas kinetic energy

NASA Technical Reports Server (NTRS)

Caledonia, G. E.

1976-01-01

Techniques for the gas phase absorption of laser radiation for ultimate conversion to gas kinetic energy are discussed. Particular emphasis is placed on absorption by the vibration rotation bands of diatomic molecules at high pressures. This high pressure absorption appears to offer efficient conversion of laser energy to gas translational energy. Bleaching and chemical effects are minimized and the variation of the total absorption coefficient with temperature is minimal.

PARMA: PHITS-based Analytical Radiation Model in the Atmosphere--Verification of Its Accuracy in Estimating Cosmic Radiation Doses

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

Sato, Tatsuhiko; Satoh, Daiki; Endo, Akira

Estimation of cosmic-ray spectra in the atmosphere has been an essential issue in the evaluation of the aircrew doses. We therefore developed an analytical model that can predict the terrestrial neutron, proton, He nucleus, muon, electron, positron and photon spectra at altitudes below 20 km, based on the Monte Carlo simulation results of cosmic-ray propagation in the atmosphere performed by the PHITS code. The model was designated PARMA. In order to examine the accuracy of PARMA in terms of the neutron dose estimation, we measured the neutron dose rates at the altitudes between 20 to 10400 m, using our developedmore » dose monitor DARWIN mounted on an aircraft. Excellent agreement was observed between the measured dose rates and the corresponding data calculated by PARMA coupled with the fluence-to-dose conversion coefficients, indicating the applicability of the model to be utilized in the route-dose calculation.« less

High-spin yrast structure of 204Hg from the decay of a four-hole, 22+ isomer

NASA Astrophysics Data System (ADS)

Wrzesiński, J.; Lane, G. J.; Maier, K. H.; Janssens, R. V. F.; Dracoulis, G. D.; Broda, R.; Byrne, A. P.; Carpenter, M. P.; Clark, R. M.; Cromaz, M.; Fornal, B.; Lauritsen, T.; Macchiavelli, A. O.; Rejmund, M.; Szpak, B.; Vetter, K.; Zhu, S.

2015-10-01

A high-spin isomer with τ >700 ns has been found in 204Hg , populated in reactions of 1360-MeV 208Pb and 330-MeV 48Ca beams with a thick 238U target and a 1450-MeV 208Pb beam on a thick 208Pb target. The observed γ -ray decay of the isomer has established the yrast states below it, including another isomer with τ =33 (3 ) ns. The experimental results are compared with shell-model calculations that include four holes in the configuration space between 132Sn and 208Pb . The available spectroscopic information, including transition strengths, total conversion, and angular correlation coefficients, together with the observed agreement with the calculations, allows spin, parity, and configuration assignments to be proposed for the experimental states. The τ >700 ns isomer is the 22+ state of maximum spin available from the alignment of the four valence holes with the configuration π h11/2 -2ν i13/2 -2 .

Calculated organ doses for Mayak production association central hall using ICRP and MCNP.

PubMed

Choe, Dong-Ok; Shelkey, Brenda N; Wilde, Justin L; Walk, Heidi A; Slaughter, David M

2003-03-01

As part of an ongoing dose reconstruction project, equivalent organ dose rates from photons and neutrons were estimated using the energy spectra measured in the central hall above the graphite reactor core located in the Russian Mayak Production Association facility. Reconstruction of the work environment was necessary due to the lack of personal dosimeter data for neutrons in the time period prior to 1987. A typical worker scenario for the central hall was developed for the Monte Carlo Neutron Photon-4B (MCNP) code. The resultant equivalent dose rates for neutrons and photons were compared with the equivalent dose rates derived from calculations using the conversion coefficients in the International Commission on Radiological Protection Publications 51 and 74 in order to validate the model scenario for this Russian facility. The MCNP results were in good agreement with the results of the ICRP publications indicating the modeling scenario was consistent with actual work conditions given the spectra provided. The MCNP code will allow for additional orientations to accurately reflect source locations.

Biometric studies on the bivalves Astarte elliptica, A. borealis and A. montagui in Kiel Bay (Western Baltic Sea)

NASA Astrophysics Data System (ADS)

Schaefer, R.; Trutschler, K.; Rumohr, H.

1985-09-01

The three Astarte species were studied in June 1983 at two sites in Kiel Bay, “Süderfahrt” and “Schleimünde”, at 20 m depth. Shell length to live wet weight correlations are given for all three species; for A. elliptica also shell-free dry weight, shell dry weight, ash-free dry weight of the soft body and ash-free dry weight of the shell are recorded as functions of the shell length. In the logarithmic length/weight regression analysis the coefficients of slope for A. elliptica and A. borealis are 3. For A. montagui, that coefficient is significantly greater than 3. Weight conversion factors, calculated for A. elliptica, revealed a mean weight composition of 31.5 % water in the mantle cavity and tissue water, 64.5 % shell ash, 2.1 % organic content of shell, 1.7 % organic content of the soft body and 0.4 % ash of the soft body. An isometric growth of shell length and shell breadth is confirmed for A. borealis, while A. montagui exhibits positive allometric shell growth and changes its shape during life.

Influence of diffuse reflectance measurement accuracy on the scattering coefficient in determination of optical properties with integrating sphere optics (a secondary publication).

PubMed

Horibe, Takuro; Ishii, Katsunori; Fukutomi, Daichi; Awazu, Kunio

2015-12-30

An estimation error of the scattering coefficient of hemoglobin in the high absorption wavelength range has been observed in optical property calculations of blood-rich tissues. In this study, the relationship between the accuracy of diffuse reflectance measurement in the integrating sphere and calculated scattering coefficient was evaluated with a system to calculate optical properties combined with an integrating sphere setup and the inverse Monte Carlo simulation. Diffuse reflectance was measured with the integrating sphere using a small incident port diameter and optical properties were calculated. As a result, the estimation error of the scattering coefficient was improved by accurate measurement of diffuse reflectance. In the high absorption wavelength range, the accuracy of diffuse reflectance measurement has an effect on the calculated scattering coefficient.

Quantum mechanical study of the proton exchange in the ortho-para H2 conversion reaction at low temperature.

PubMed

Honvault, P; Jorfi, M; González-Lezana, T; Faure, A; Pagani, L

2011-11-14

Ortho-para H(2) conversion reactions mediated by the exchange of a H(+) proton have been investigated at very low energy for the first time by means of a time independent quantum mechanical (TIQM) approach. State-to-state probabilities and cross sections for H(+) + H(2) (v = 0, j = 0,1) processes have been calculated for a collision energy, E(c), ranging between 10(-6) eV and 0.1 eV. Differential cross sections (DCSs) for H(+) + H(2) (v = 0, j = 1) → H(+) + H(2) (v' = 0, j' = 0) for very low energies only start to develop a proper global minimum around the sideways scattering direction (θ≈ 90°) at E(c) = 10(-3) eV. Rate coefficients, a crucial information required for astrophysical models, are provided between 10 K and 100 K. The relaxation ortho-para process j = 1 → j' = 0 is found to be more efficient than the j = 0 → j' = 1 conversion at low temperatures, in line with the extremely small ratio between the ortho and para species of molecular hydrogen predicted at the temperature of interstellar cold molecular clouds. The results obtained by means of a statistical quantum mechanical (SQM) model, which has previously proved to provide an adequate description of the dynamics of the title reactions at a higher collision energy regime, have been compared with the TIQM results. A reasonable good agreement has been found with the only exception of the DCSs for the H(+) + H(2) (v = 0, j = 1) → H(+) + H(2) (v' = 0, j' = 0) process at very low energy. SQM cross sections are also slightly below the quantum results. Estimates for the rate coefficients, in good accord with the TIQM values, are a clear improvement with respect to pioneering statistical studies on the reaction.

Predicting Salt Permeability Coefficients in Highly Swollen, Highly Charged Ion Exchange Membranes.

PubMed

Kamcev, Jovan; Paul, Donald R; Manning, Gerald S; Freeman, Benny D

2017-02-01

This study presents a framework for predicting salt permeability coefficients in ion exchange membranes in contact with an aqueous salt solution. The model, based on the solution-diffusion mechanism, was tested using experimental salt permeability data for a series of commercial ion exchange membranes. Equilibrium salt partition coefficients were calculated using a thermodynamic framework (i.e., Donnan theory), incorporating Manning's counterion condensation theory to calculate ion activity coefficients in the membrane phase and the Pitzer model to calculate ion activity coefficients in the solution phase. The model predicted NaCl partition coefficients in a cation exchange membrane and two anion exchange membranes, as well as MgCl 2 partition coefficients in a cation exchange membrane, remarkably well at higher external salt concentrations (>0.1 M) and reasonably well at lower external salt concentrations (<0.1 M) with no adjustable parameters. Membrane ion diffusion coefficients were calculated using a combination of the Mackie and Meares model, which assumes ion diffusion in water-swollen polymers is affected by a tortuosity factor, and a model developed by Manning to account for electrostatic effects. Agreement between experimental and predicted salt diffusion coefficients was good with no adjustable parameters. Calculated salt partition and diffusion coefficients were combined within the framework of the solution-diffusion model to predict salt permeability coefficients. Agreement between model and experimental data was remarkably good. Additionally, a simplified version of the model was used to elucidate connections between membrane structure (e.g., fixed charge group concentration) and salt transport properties.

Description of a Computer Program Written for Approach and Landing Test Post Flight Data Extraction of Proximity Separation Aerodynamic Coefficients and Aerodynamic Data Base Verification

NASA Technical Reports Server (NTRS)

Homan, D. J.

1977-01-01

A computer program written to calculate the proximity aerodynamic force and moment coefficients of the Orbiter/Shuttle Carrier Aircraft (SCA) vehicles based on flight instrumentation is described. The ground reduced aerodynamic coefficients and instrumentation errors (GRACIE) program was developed as a tool to aid in flight test verification of the Orbiter/SCA separation aerodynamic data base. The program calculates the force and moment coefficients of each vehicle in proximity to the other, using the load measurement system data, flight instrumentation data and the vehicle mass properties. The uncertainty in each coefficient is determined, based on the quoted instrumentation accuracies. A subroutine manipulates the Orbiter/747 Carrier Separation Aerodynamic Data Book to calculate a comparable set of predicted coefficients for comparison to the calculated flight test data.

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...

Liver conversion of docosahexaenoic and arachidonic acids from their 18-carbon precursors in rats on a DHA-free but α-LNA-containing n-3 PUFA adequate diet.

PubMed

Gao, Fei; Kim, Hyung-Wook; Igarashi, Miki; Kiesewetter, Dale; Chang, Lisa; Ma, Kaizong; Rapoport, Stanley I

2011-01-01

The long-chain polyunsaturated fatty acids (PUFAs), eicosapentaenoic acid (EPA, 20:5n-3), docosahexaenoic acid (DHA, 22:6n-3), and arachidonic acid (AA, 20:4n-6), are critical for health. These PUFAs can be synthesized in liver from their plant-derived precursors, α-linolenic acid (α-LNA, 18:3n-3) and linoleic acid (LA, 18:2n-6). Vegetarians and vegans may have suboptimal long-chain n-3 PUFA status, and the extent of the conversion of α-LNA to EPA and DHA by the liver is debatable. We quantified liver conversion of DHA and other n-3 PUFAs from α-LNA in rats fed a DHA-free but α-LNA (n-3 PUFA) adequate diet, and compared results to conversion of LA to AA. [U-(13)C]LA or [U-(13)C]α-LNA was infused intravenously for 2h at a constant rate into unanesthetized rats fed a DHA-free α-LNA adequate diet, and published equations were used to calculate kinetic parameters. The conversion coefficient k(⁎) of DHA from α-LNA was much higher than for AA from LA (97.2×10(-3) vs. 10.6×10(-3)min(-1)), suggesting that liver elongation-desaturation is more selective for n-3 PUFA biosynthesis on a per molecule basis. The net daily secretion rate of DHA, 20.3μmol/day, exceeded the reported brain DHA consumption rate by 50-fold, suggesting that the liver can maintain brain DHA metabolism with an adequate dietary supply solely of α-LNA. This infusion method could be used in vegetarians or vegans to determine minimal daily requirements of EPA and DHA in humans. Published by Elsevier B.V.

Thermoelectric Figures of Merit of Zn4Sb3 and Zrnisn-based Half-heusler Compounds Influenced by Mev Ion-beam Bombardments

NASA Astrophysics Data System (ADS)

Budak, S.; Guner, S.; Muntele, C. I.; Ila, D.

Semiconducting β-Zn4Sb3 and ZrNiSn-based half-Heusler compound thin films with applications as thermoelectric (TE) materials were prepared using ion beam assisted deposition (IBAD). High-purity solid zinc (Zn) and antimony (Sb) were evaporated by electron beam to grow the β-Zn4Sb3 thin film while high-purity zirconium (Zr) powder and nickel (Ni) tin (Sn) powders were evaporated by electron beam to grow the ZrNiSn-based half-Heusler compound thin film. Rutherford backscattering spectrometry (RBS) was used to analyze the composition of the thin films. The grown thin films were subjected to 5 MeV Si ions bombardment for generation of nanostructures in the films. We measured the thermal conductivity, Seebeck coefficient, and electrical conductivity of these two systems before and after 5 MeV Si ions beam bombardment. The two material systems have been identified as promising TE materials for the application of thermal-to-electrical energy conversion, but the efficiency still limits their applications. The electronic energy deposited due to ionization in the track of MeV ion beam couldcause localized crystallization. The nanostructures produced by MeV ion beam can cause significant change in both the electrical and the thermal conductivity of thin films, thereby improving the efficiency. We used the 3ω-method (3rd harmonic) measurement system to measure the cross-plane thermal conductivity, the van der Pauw measurement system to measure the electrical conductivity, and the Seebeck-coefficient measurement system to measure the cross-plane Seebeck coefficient. The thermoelectric figures of merit of the two material systems were then derived by calculations using the measurement results. The MeV ion-beam bombardment was found to decrease the thermal conductivity of thin films and increase the efficiency of thermal-to-electrical energy conversion.

On the adequacy of modeling the concentration dependences of the activity coefficients for the components of solutions

NASA Astrophysics Data System (ADS)

Sergievskii, V. V.; Rudakov, A. M.

2006-11-01

An analysis of the accepted methods for calculating the activity coefficients for the components of binary aqueous solutions was performed. It was demonstrated that the use of the osmotic coefficients in auxiliary calculations decreases the accuracy of estimates of the activity coefficients. The possibility of calculating the activity coefficient of the solute from the concentration dependence of the water activity was examined. It was established that, for weak electrolytes, the interpretation of data on heterogeneous equilibria within the framework of the standard assumption that the dissociation is complete encounters serious difficulties.

Standardization and determination of the total internal conversion coefficient of In-111.

PubMed

Matos, Izabela T; Koskinas, Marina F; Nascimento, Tatiane S; Yamazaki, Ione M; Dias, Mauro S

2014-05-01

The standardization of (111)In by means of a 4πβ-γ coincidence system, composed of a proportional counter in 4π geometry, coupled to a 20% relative efficiency HPGe crystal, for measuring gamma-rays is presented. The data acquisition was performed by means of the software coincidence system (SCS) and the activity was determined by the extrapolation technique. Two gamma-ray windows were selected: at 171 keV and 245 keV total absorption peaks, allowing the determination of the total internal conversion coefficient for these two gamma transitions. The results were compared with those available in the literature. © 2013 Published by Elsevier Ltd.

Characterization of detector-systems based on CeBr3, LaBr3, SrI2 and CdZnTe for the use as dosemeters

NASA Astrophysics Data System (ADS)

Kessler, P.; Behnke, B.; Dombrowski, H.; Neumaier, S.

2017-11-01

For the upgrade of existing dosimetric early warning networks in Europe spectrometric detectors based on CeBr3, LaBr3, SrI2, and CdZnTe are investigated as possible substitutes for the current detector generation which is mainly based on gas filled detectors. The additional information on the nuclide vector which can be derived from the spectra of γ-radiation is highly useful for an appropriate response in case of a nuclear or radiological accident. The measured γ-spectra will be converted into ambient dose equivalent H* (10) using a method where the spectrum is subdivided into multiple energy bands. For each band the conversion coefficients from count rate to dose rate is determined. The derivation of these conversion coefficients is explained in this work. Both experimental and simulative approaches are investigated using quasi-mono-energetic γ-sources and synthetic spectra from Monte-Carlo simulations to determine the conversion coefficients for each detector type. Finally, precision of the obtained characterization is checked by irradiation of the detectors in different well-known photon fields with traceable dose rates.

Better Resolved Low Frequency Dispersions by the Apt Use of Kramers-Kronig Relations, Differential Operators, and All-In-1 Modeling

PubMed Central

van Turnhout, J.

2016-01-01

The dielectric spectra of colloidal systems often contain a typical low frequency dispersion, which usually remains unnoticed, because of the presence of strong conduction losses. The KK relations offer a means for converting ε′ into ε″ data. This allows us to calculate conduction free ε″ spectra in which the l.f. dispersion will show up undisturbed. This interconversion can be done on line with a moving frame of logarithmically spaced ε′ data. The coefficients of the conversion frames were obtained by kernel matching and by using symbolic differential operators. Logarithmic derivatives and differences of ε′ and ε″ provide another option for conduction free data analysis. These difference-based functions actually derived from approximations to the distribution function, have the additional advantage of improving the resolution power of dielectric studies. A high resolution is important because of the rich relaxation structure of colloidal suspensions. The development of all-in-1 modeling facilitates the conduction free and high resolution data analysis. This mathematical tool allows the apart-together fitting of multiple data and multiple model functions. It proved also useful to go around the KK conversion altogether. This was achieved by the combined approximating ε′ and ε″ data with a complex rational fractional power function. The all-in-1 minimization turned out to be also highly useful for the dielectric modeling of a suspension with the complex dipolar coefficient. It guarantees a secure correction for the electrode polarization, so that the modeling with the help of the differences ε′ and ε″ can zoom in on the genuine colloidal relaxations. PMID:27242997

Fundamental limits of ultrathin metasurfaces

PubMed Central

Arbabi, Amir; Faraon, Andrei

2017-01-01

We present a set of universal relations which relate the local transmission, reflection, and polarization conversion coefficients of a general class of non-magnetic passive ultrathin metasurfaces. We show that these relations are a result of equal forward and backward scattering by single layer ultrathin metasurfaces, and they lead to confinement of the transmission, reflection, and polarization conversion coefficients to limited regions of the complex plane. Using these relations, we investigate the effect of the presence of a substrate, and show that the maximum polarization conversion efficiency for a transmissive metasurface decreases as the refractive index contrast between the substrate and cladding layer increases. Furthermore, we demonstrate that a single layer reflective metasurface can achieve full 2π phase shift coverage without altering the polarization if it is illuminated from the higher refractive index material. We also discuss two approaches for achieving asymmetric scattering from metasurfaces, and realizing metasurfaces which overcome the performance limitations of single layer ultrathin metasurfaces. PMID:28262739

Error free all optical wavelength conversion in highly nonlinear As-Se chalcogenide glass fiber.

PubMed

Ta'eed, Vahid G; Fu, Libin; Pelusi, Mark; Rochette, Martin; Littler, Ian C; Moss, David J; Eggleton, Benjamin J

2006-10-30

We present the first demonstration of all optical wavelength conversion in chalcogenide glass fiber including system penalty measurements at 10 Gb/s. Our device is based on As2Se3 chalcogenide glass fiber which has the highest Kerr nonlinearity (n(2)) of any fiber to date for which either advanced all optical signal processing functions or system penalty measurements have been demonstrated. We achieve wavelength conversion via cross phase modulation over a 10 nm wavelength range near 1550 nm with 7 ps pulses at 2.1 W peak pump power in 1 meter of fiber, achieving only 1.4 dB excess system penalty. Analysis and comparison of the fundamental fiber parameters, including nonlinear coefficient, two-photon absorption coefficient and dispersion parameter with other nonlinear glasses shows that As(2)Se(3) based devices show considerable promise for radically integrated nonlinear signal processing devices.

40 CFR Table F-1 to Subpart F of... - Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 22 2013-07-01 2013-07-01 false Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production F Table F-1 to Subpart F of Part 98...—Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production...

40 CFR Table F-1 to Subpart F of... - Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 21 2014-07-01 2014-07-01 false Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production F Table F-1 to Subpart F of Part 98...—Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production...

40 CFR Table F-1 to Subpart F of... - Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 21 2011-07-01 2011-07-01 false Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production F Table F-1 to Subpart F of Part 98...—Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production...

40 CFR Table F-1 to Subpart F of... - Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 22 2012-07-01 2012-07-01 false Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production F Table F-1 to Subpart F of Part 98...—Slope and Overvoltage Coefficients for the Calculation of PFC Emissions From Aluminum Production...

Passive, Low Cost Neutron Detectors for Neutron Diagnostics at the National Ignition Facility

DTIC Science & Technology

2013-03-01

Facility PTFE Polytetrafluoroethylene TLD Thermoluminescent Dosimeter α Conversion Coefficient (Conversion...because they required a large investment in automated track counting equipment. Thermoluminescent dosimeters ( TLDs ) remained as a viable option. They...necessary to predict radiation damage to measurement electronics . Due to programmatic and facility limitations, traditional neutron measurement

Structure of sup 118 Sb nucleus

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

Gulyas, J.; Fenyes, T.; Fayez, M.

1992-10-01

{gamma}, {gamma}{gamma}-coincidence, internal conversion electron, and {gamma}-ray angular distribution spectra of the {sup 118}Sn({ital p},{ital n}{gamma}){sup 118}Sb reaction were measured at different bombarding proton energies between 5.5 and 7.5 MeV. {gamma}, {gamma}{gamma}-coincidence, and internal conversion electron spectra of the {sup 115}In ({alpha},{ital n}{gamma}){sup 118}Sb reaction were also measured at {ital E}{sub {alpha}}=14.5 MeV. Ge(HP), Ge(Li), Ge(LEPS) {gamma}-ray detectors, as well as a superconducting magnetic lens electron spectrometer (with Si(Li) detectors), were used in the experiments. About 210 (including {similar to}130 new) {gamma} rays have been assigned to {sup 118}Sb. The deduced {sup 118}Sb level scheme contains more than 70 newmore » levels. On the basis of the internal conversion coefficients, Hauser-Feshbach analysis of ({ital p},{ital n}) reaction cross sections, {gamma}-ray angular distributions, and other arguments spin and parity values have been determined. The parabolic rule'' prediction of the energy splitting of different proton-neutron multiplets enabled the identification of many proton-neutron multiplet states. The energy spectrum and electromagnetic properties have been calculated in the framework of the interacting boson-fermion-fermion--odd-odd truncated quadrupole phonon model, and reasonably good agreement has been obtained between experimental and theoretical results.« less

Diagnostic studies of H2 Ar N2 microwave plasmas containing methane or methanol using tunable infrared diode laser absorption spectroscopy

NASA Astrophysics Data System (ADS)

Hempel, F.; Davies, P. B.; Loffhagen, D.; Mechold, L.; Röpcke, J.

2003-11-01

Tunable infrared diode laser absorption spectroscopy has been used to detect the methyl radical and nine stable molecules, CH4, CH3OH, C2H2, C2H4, C2H6, NH3, HCN, CH2O and C2N2, in H2-Ar-N2 microwave plasmas containing up to 7% of methane or methanol, under both flowing and static conditions. The degree of dissociation of the hydrocarbon precursor molecules varied between 20% and 97%. The methyl radical concentration was found to be in the range 1012-1013 molecules cm-3. By analysing the temporal development of the molecular concentrations under static conditions it was found that HCN and NH3 are the final products of plasma chemical conversion. The fragmentation rates of methane and methanol (RF(CH4) = (2-7) × 1015 molecules J-1, RF(CH3OH) = (6-9) × 1015 molecules J-1) and the respective conversion rates to methane, hydrogen cyanide and ammonia (RCmax(CH4) = 1.2 × 1015 molecules J-1, RCmax(HCN) = 1.3 × 1015 molecules J-1, RCmax(NH3) = 1 × 1014 molecules J-1) have been determined for different hydrogen to nitrogen concentration ratios. An extensive model of the chemical reactions involved in the H2-N2-Ar-CH4 plasma has been developed. Model calculations were performed by including 22 species, 145 chemical reactions and appropriate electron impact dissociation rate coefficients. The results of the model calculations showed satisfactory agreement between calculated and measured concentrations. The most likely main chemical pathways involved in these plasmas are discussed and an appropriate reaction scheme is proposed.

Engineering quadratic nonlinear photonic crystals for frequency conversion of lasers

NASA Astrophysics Data System (ADS)

Chen, Baoqin; Hong, Lihong; Hu, Chenyang; Zhang, Chao; Liu, Rongjuan; Li, Zhiyuan

2018-03-01

Nonlinear frequency conversion offers an effective way to extend the laser wavelength range. Quadratic nonlinear photonic crystals (NPCs) are artificial materials composed of domain-inversion structures whose sign of nonlinear coefficients are modulated with desire to implement quasi-phase matching (QPM) required for nonlinear frequency conversion. These structures can offer various reciprocal lattice vectors (RLVs) to compensate the phase-mismatching during the quadratic nonlinear optical processes, including second-harmonic generation (SHG), sum-frequency generation and the cascaded third-harmonic generation (THG). The modulation pattern of the nonlinear coefficients is flexible, which can be one-dimensional or two-dimensional (2D), be periodic, quasi-periodic, aperiodic, chirped, or super-periodic. As a result, these NPCs offer very flexible QPM scheme to satisfy various nonlinear optics and laser frequency conversion problems via design of the modulation patterns and RLV spectra. In particular, we introduce the electric poling technique for fabricating QPM structures, a simple effective nonlinear coefficient model for efficiently and precisely evaluating the performance of QPM structures, the concept of super-QPM and super-periodically poled lithium niobate for finely tuning nonlinear optical interactions, the design of 2D ellipse QPM NPC structures enabling continuous tunability of SHG in a broad bandwidth by simply changing the transport direction of pump light, and chirped QPM structures that exhibit broadband RLVs and allow for simultaneous radiation of broadband SHG, THG, HHG and thus coherent white laser from a single crystal. All these technical, theoretical, and physical studies on QPM NPCs can help to gain a deeper insight on the mechanisms, approaches, and routes for flexibly controlling the interaction of lasers with various QPM NPCs for high-efficiency frequency conversion and creation of novel lasers.

Radiation transport calculations for cosmic radiation.

PubMed

Endo, A; Sato, T

2012-01-01

The radiation environment inside and near spacecraft consists of various components of primary radiation in space and secondary radiation produced by the interaction of the primary radiation with the walls and equipment of the spacecraft. Radiation fields inside astronauts are different from those outside them, because of the body's self-shielding as well as the nuclear fragmentation reactions occurring in the human body. Several computer codes have been developed to simulate the physical processes of the coupled transport of protons, high-charge and high-energy nuclei, and the secondary radiation produced in atomic and nuclear collision processes in matter. These computer codes have been used in various space radiation protection applications: shielding design for spacecraft and planetary habitats, simulation of instrument and detector responses, analysis of absorbed doses and quality factors in organs and tissues, and study of biological effects. This paper focuses on the methods and computer codes used for radiation transport calculations on cosmic radiation, and their application to the analysis of radiation fields inside spacecraft, evaluation of organ doses in the human body, and calculation of dose conversion coefficients using the reference phantoms defined in ICRP Publication 110. Copyright © 2012. Published by Elsevier Ltd.

Diffusion coefficients of nitric oxide in water: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Pokharel, Sunil; Pantha, Nurapati; Adhikari, N. P.

2016-09-01

Self-diffusion coefficients along with the mutual diffusion coefficients of nitric oxide (NO) and SPC/E water (H2O) as solute and solvent of the mixture, have been studied within the framework of classical molecular dynamics level of calculations using GROMACS package. The radial distribution function (RDF) of the constituent compounds are calculated to study solute-solute, solute-solvent and solvent-solvent molecular interactions as a function of temperature. A dilute solution of five NO molecules (mole fraction 0.018) and 280 H2O molecules (mole fraction 0.982) has been taken as the sample. The self-diffusion coefficient of the solvent is calculated by using mean square displacement (MSD) where as that for solute (NO) is calculated by using MSD and velocity auto-correlation function (VACF). The results are then compared with the available experimental values. The results from the present work for water come in good agreement, very precise at low temperatures, with the experimental values. The diffusion coefficients of NO, on the other hands, agree well with the available theoretical studies, and also with experiment at low temperatures (up to 310 K). The results at the higher temperatures (up to 333 K), however, deviate significantly with the experimental observations. Also, the mutual diffusion coefficients of NO in water have been calculated by using Darken’s relation. The temperature dependence of the calculated diffusion coefficients follow the Arrhenius behavior.

Natural frequency and stability analysis of a pipe conveying fluid with axially moving supports immersed in fluid

NASA Astrophysics Data System (ADS)

Ni, Qiao; Luo, Yangyang; Li, Mingwu; Yan, Hao

2017-09-01

Structural model for a slender and uniform pipe conveying fluid, with axially moving supports on both ends, immersed in an incompressible fluid, is formulated. Free vibration and stability of the system are studied through numerical calculation. First, the equations of motion of the system are derived in an absolute coordinate system. An "axial added mass coefficient" is adopted to amend the forces caused by the external fluid. Boundary conditions are fixed by using coordinated conversion. Then, numerical results of the natural frequency are obtained via the Galerkin method, both for pinned-pinned and clamped-clamped supports. The critical speeds of supports and several instability types are discussed. Last, the effects of the system parameters on the dynamics and instability of the system are investigated.

Comparison of tissue oximeters on a liquid phantom with adjustable optical properties

PubMed Central

Kleiser, S.; Nasseri, N.; Andresen, B.; Greisen, G.; Wolf, M.

2016-01-01

The SafeBoosC trial showed that cerebral oximetry combined with a treatment guideline can reduce the the burden of hypoxia in neonates by 50% [Brit. Med. J. 350, g7635 (2015)25569128]. However, guidelines based on oximetry by one oximeter are not directly usable by other oximeters. We made a blood-lipid phantom simulating the neonatal head to determine the relation between oxygenation values obtained by different oximeters. We calculated coefficients for easy conversion from one oximeter to the other. We additionally determined the corresponding SafeBoosC intervention thresholds at which we measured an uncertainty of up to 9.2% when varying hemoglobin content from 25μM to 70μM. In conclusion, this paper makes the comparison of absolute values obtained by different oximeters possible. PMID:27570691

Extinction coefficients of CC and CC bands in ethyne and ethene molecules interacting with Cu+ and Ag+ in zeolites--IR studies and quantumchemical DFT calculations.

PubMed

Kozyra, Paweł; Góra-Marek, Kinga; Datka, Jerzy

2015-02-05

The values of extinction coefficients of CC and CC IR bands of ethyne and ethene interacting with Cu+ and Ag+ in zeolites were determined in quantitative IR experiments and also by quantumchemical DFT calculations with QM/MM method. Both experimental and calculated values were in very good agreement validating the reliability of calculations. The values of extinction coefficients of ethyne and ethene interacting with bare cations and cations embedded in zeolite-like clusters were calculated. The interaction of organic molecules with Cu+ and Ag+ in zeolites ZSM-5 and especially charge transfers between molecule, cation and zeolite framework was also discussed in relation to the values of extinction coefficients. Copyright © 2014 Elsevier B.V. All rights reserved.

Development of skeletal system for mesh-type ICRP reference adult phantoms

NASA Astrophysics Data System (ADS)

Yeom, Yeon Soo; Wang, Zhao Jun; Tat Nguyen, Thang; Kim, Han Sung; Choi, Chansoo; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Chung, Beom Sun; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E.; Lee, Choonsik

2016-10-01

The reference adult computational phantoms of the international commission on radiological protection (ICRP) described in Publication 110 are voxel-type computational phantoms based on whole-body computed tomography (CT) images of adult male and female patients. The voxel resolutions of these phantoms are in the order of a few millimeters and smaller tissues such as the eye lens, the skin, and the walls of some organs cannot be properly defined in the phantoms, resulting in limitations in dose coefficient calculations for weakly penetrating radiations. In order to address the limitations of the ICRP-110 phantoms, an ICRP Task Group has been recently formulated and the voxel phantoms are now being converted to a high-quality mesh format. As a part of the conversion project, in the present study, the skeleton models, one of the most important and complex organs of the body, were constructed. The constructed skeleton models were then tested by calculating red bone marrow (RBM) and endosteum dose coefficients (DCs) for broad parallel beams of photons and electrons and comparing the calculated values with those of the original ICRP-110 phantoms. The results show that for the photon exposures, there is a generally good agreement in the DCs between the mesh-type phantoms and the original voxel-type ICRP-110 phantoms; that is, the dose discrepancies were less than 7% in all cases except for the 0.03 MeV cases, for which the maximum difference was 14%. On the other hand, for the electron exposures (⩽4 MeV), the DCs of the mesh-type phantoms deviate from those of the ICRP-110 phantoms by up to ~1600 times at 0.03 MeV, which is indeed due to the improvement of the skeletal anatomy of the developed skeleton mesh models.

Computed rate coefficients and product yields for c-C5H5 + CH3 --> products.

PubMed

Sharma, Sandeep; Green, William H

2009-08-06

Using quantum chemical methods, we have explored the region of the C6H8 potential energy surface that is relevant in predicting the rate coefficients of various wells and major product channels following the reaction between cyclopentadienyl radical and methyl radical, c-C5H5 + CH3. Variational transition state theory is used to calculate the high-pressure-limit rate coefficient for all of the barrierless reactions. RRKM theory and the master equation are used to calculate the pressure dependent rate coefficients for 12 reactions. The calculated results are compared with the limited experimental data available in the literature and the agreement between the two is quite good. All of the rate coefficients calculated in this work are tabulated and can be used in building detailed chemical kinetic models.

Determination of diffusion and partition coefficients of model migrants by direct contact and vapour phase transfer from low-density polyethylene films into cake.

PubMed

Paseiro-Cerrato, Rafael; Rodríguez-Bernaldo de Quirós, Ana; Otero-Pazos, Pablo; Sendón, Raquel; Paseiro-Losada, Perfecto

2018-03-01

The aim of the present study was to determine the migration kinetics of one photoinitiator, benzophenone, and two optical brighteners, Uvitex OB and 1,4-diphenyl-1,3-butadiene (DPBD), from low-density polyethylene (LDPE) films into cake. Transfer was assessed by both direct contact and also the vapour phase. To perform the migration tests by direct contact, plastic films enriched with the additives were placed between two cake slices. To evaluate the migration through the gas phase, cake and the fortified LDPE film were placed with no direct contact in a glass container that was hermetically closed. Samples were stored at different time-temperature conditions. Target compounds were extracted from the films with ethanol (70°C, 24 h) and analysed by HPLC-DAD. Relevant parameters such as partition and diffusion coefficients between food and plastic film were calculated. The Arrhenius equation was applied to estimate the diffusion coefficient at any temperature. The data indicate that migration of benzophenone occurs in a significant extent into cake by both direct contact and through the gas phase (no direct contact). Conversely, very little migration occurred for Uvitex OB by direct contact and none through the gas phase. Results for benzophenone suggest that migration through the gas phase should be considered when evaluating migration from food packaging materials into food.

40 CFR 85.525 - Applicable standards.

Code of Federal Regulations, 2014 CFR

2014-07-01

... on FTP test results from the emission data vehicle (EDV) representing the pre-conversion test group. The sum of CO2, CH4, and N2O shall be calculated for pre- and post-conversion FTP test results, where... group. The sum of CO2, CH4, and N2O shall be calculated for pre- and post-conversion FTP test results...

Note on use of slope diffraction coefficients for aperture antennas on finite ground planes

NASA Technical Reports Server (NTRS)

Cockrell, C. R.; Beck, F. B.

1995-01-01

The use of slope diffraction coefficients along with regular diffraction coefficients for calculating the radiation patterns of aperture antennas in a finite ground plane is investigated. Explicit expressions for regular diffraction coefficients and slope diffraction coefficients are presented. The expressions for the incident magnetic field in terms of the magnetic current in the aperture are given. The slope of the incident magnetic field is calculated and closed form expressions are presented.

Prediction of distribution coefficient from structure. 1. Estimation method.

PubMed

Csizmadia, F; Tsantili-Kakoulidou, A; Panderi, I; Darvas, F

1997-07-01

A method has been developed for the estimation of the distribution coefficient (D), which considers the microspecies of a compound. D is calculated from the microscopic dissociation constants (microconstants), the partition coefficients of the microspecies, and the counterion concentration. A general equation for the calculation of D at a given pH is presented. The microconstants are calculated from the structure using Hammett and Taft equations. The partition coefficients of the ionic microspecies are predicted by empirical equations using the dissociation constants and the partition coefficient of the uncharged species, which are estimated from the structure by a Linear Free Energy Relationship method. The algorithm is implemented in a program module called PrologD.

Reflection and transmission coefficients for guided waves reflected by defects in viscoelastic material plates.

PubMed

Hosten, Bernard; Moreau, Ludovic; Castaings, Michel

2007-06-01

The paper presents a Fourier transform-based signal processing procedure for quantifying the reflection and transmission coefficients and mode conversion of guided waves diffracted by defects in plates made of viscoelastic materials. The case of the S(0) Lamb wave mode incident on a notch in a Perspex plate is considered. The procedure is applied to numerical data produced by a finite element code that simulates the propagation of attenuated guided modes and their diffraction by the notch, including mode conversion. Its validity and precision are checked by the way of the energy balance computation and by comparison with results obtained using an orthogonality relation-based processing method.

Phase matching in RT KTP crystal for down-conversion into the THz range

NASA Astrophysics Data System (ADS)

Huang, J.-G.; Huang, Z.-M.; Nikolaev, N. A.; Mamrashev, A. A.; Antsygin, V. D.; Potaturkin, O. I.; Meshalkin, A. B.; Kaplun, A. B.; Lanskii, G. V.; Andreev, Yu M.; Ezhov, D. M.; Svetlichnyi, V. A.

2018-07-01

Dispersion of refractive index and absorption coefficients in flux-grown high-resistivity KTiOPO4 crystals between 0.2–2.5 THz are verified at room temperature by a THz-TDS. Measured dispersion components n x , n y and n z are approximated for the first time in the form of Sellmeier equations. Phase matching for down-conversion into the THz range under a visible and near IR pump is found possible only in the principle plane by and types of three-wave interactions. Low frequency THz generation is favorable due to the low absorption coefficient down to 0.2 cm‑1, below 0.5 THz.

Ridge: a computer program for calculating ridge regression estimates

Treesearch

Donald E. Hilt; Donald W. Seegrist

1977-01-01

Least-squares coefficients for multiple-regression models may be unstable when the independent variables are highly correlated. Ridge regression is a biased estimation procedure that produces stable estimates of the coefficients. Ridge regression is discussed, and a computer program for calculating the ridge coefficients is presented.

The informativeness of coefficients a and b of the soil line for the analysis of remote sensing materials

NASA Astrophysics Data System (ADS)

Rukhovich, D. I.; Rukhovich, A. D.; Rukhovich, D. D.; Simakova, M. S.; Kulyanitsa, A. L.; Bryzzhev, A. V.; Koroleva, P. V.

2016-08-01

The coefficients of the soil line are often taken into account in calculations of vegetation indices. These coefficients are usually calculated for the entire satellite image, or are taken as constants without any calculations. In both cases, the informativeness of these coefficients is low and insufficient for the needs of soil mapping. In our study, we calculated soil line coefficients at 8000 lattice points for the territory of Plavsk, Arsen'evsk, and Chern districts of Tula oblast on the basis of 34 Landsat 5, 7, and 8 images obtained in 1985-2014. In order to distinguish between the soil line calculated for a given image and the soil line calculated for lattice points on the basis of dozens of multitemporal images, we suggest that the latter can be referred to as the temporal soil line. The temporal soil line is described by a classical equation: NIR = RED a + b, where a is its slope relative to the horizontal axis (RED), and b is the Y-axis (NIR) intercept. Both coefficients were used to create soil maps. The verification of the maps was performed with the use of data on 1985 soil pits. The informativeness of these coefficients appeared to be sufficient for delineation of eight groups of soils of different taxonomic levels: soddy moderately podzolic soils, soddy slightly podzolic soils, soddy-podzolic soils, light gray forest soils, gray forest soils, dark gray forest soils, podzolized chernozems, and leached chernozems. The b coefficient proved to be more informative, as it allowed us to create the soil map precisely on its basis. In order to create the soil map on the basis of the a coefficient, we had to apply some threshold values of the b coefficient. The bare soil on each of Landsat scenes was separated with the help of the mask of agricultural fields and the notion of the spectral neighborhood of soil line (SNSL).

Effect of Atomic Charges on Octanol-Water Partition Coefficient Using Alchemical Free Energy Calculation.

PubMed

Ogata, Koji; Hatakeyama, Makoto; Nakamura, Shinichiro

2018-02-15

The octanol-water partition coefficient (log P ow ) is an important index for measuring solubility, membrane permeability, and bioavailability in the drug discovery field. In this paper, the log P ow values of 58 compounds were predicted by alchemical free energy calculation using molecular dynamics simulation. In free energy calculations, the atomic charges of the compounds are always fixed. However, they must be recalculated for each solvent. Therefore, three different sets of atomic charges were tested using quantum chemical calculations, taking into account vacuum, octanol, and water environments. The calculated atomic charges in the different environments do not necessarily influence the correlation between calculated and experimentally measured ∆ G water values. The largest correlation coefficient values of the solvation free energy in water and octanol were 0.93 and 0.90, respectively. On the other hand, the correlation coefficient of log P ow values calculated from free energies, the largest of which was 0.92, was sensitive to the combination of the solvation free energies calculated from the calculated atomic charges. These results reveal that the solvent assumed in the atomic charge calculation is an important factor determining the accuracy of predicted log P ow values.

High-Order Model and Dynamic Filtering for Frame Rate Up-Conversion.

PubMed

Bao, Wenbo; Zhang, Xiaoyun; Chen, Li; Ding, Lianghui; Gao, Zhiyong

2018-08-01

This paper proposes a novel frame rate up-conversion method through high-order model and dynamic filtering (HOMDF) for video pixels. Unlike the constant brightness and linear motion assumptions in traditional methods, the intensity and position of the video pixels are both modeled with high-order polynomials in terms of time. Then, the key problem of our method is to estimate the polynomial coefficients that represent the pixel's intensity variation, velocity, and acceleration. We propose to solve it with two energy objectives: one minimizes the auto-regressive prediction error of intensity variation by its past samples, and the other minimizes video frame's reconstruction error along the motion trajectory. To efficiently address the optimization problem for these coefficients, we propose the dynamic filtering solution inspired by video's temporal coherence. The optimal estimation of these coefficients is reformulated into a dynamic fusion of the prior estimate from pixel's temporal predecessor and the maximum likelihood estimate from current new observation. Finally, frame rate up-conversion is implemented using motion-compensated interpolation by pixel-wise intensity variation and motion trajectory. Benefited from the advanced model and dynamic filtering, the interpolated frame has much better visual quality. Extensive experiments on the natural and synthesized videos demonstrate the superiority of HOMDF over the state-of-the-art methods in both subjective and objective comparisons.

Calculation of thermal expansion coefficient of glasses based on topological constraint theory

NASA Astrophysics Data System (ADS)

Zeng, Huidan; Ye, Feng; Li, Xiang; Wang, Ling; Yang, Bin; Chen, Jianding; Zhang, Xianghua; Sun, Luyi

2016-10-01

In this work, the thermal expansion behavior and the structure configuration evolution of glasses were studied. Degree of freedom based on the topological constraint theory is correlated with configuration evolution; considering the chemical composition and the configuration change, the analytical equation for calculating the thermal expansion coefficient of glasses from degree of freedom was derived. The thermal expansion of typical silicate and chalcogenide glasses was examined by calculating their thermal expansion coefficients (TEC) using the approach stated above. The results showed that this approach was energetically favorable for glass materials and revealed the corresponding underlying essence from viewpoint of configuration entropy. This work establishes a configuration-based methodology to calculate the thermal expansion coefficient of glasses that, lack periodic order.

An Improved Method of Predicting Extinction Coefficients for the Determination of Protein Concentration.

PubMed

Hilario, Eric C; Stern, Alan; Wang, Charlie H; Vargas, Yenny W; Morgan, Charles J; Swartz, Trevor E; Patapoff, Thomas W

2017-01-01

Concentration determination is an important method of protein characterization required in the development of protein therapeutics. There are many known methods for determining the concentration of a protein solution, but the easiest to implement in a manufacturing setting is absorption spectroscopy in the ultraviolet region. For typical proteins composed of the standard amino acids, absorption at wavelengths near 280 nm is due to the three amino acid chromophores tryptophan, tyrosine, and phenylalanine in addition to a contribution from disulfide bonds. According to the Beer-Lambert law, absorbance is proportional to concentration and path length, with the proportionality constant being the extinction coefficient. Typically the extinction coefficient of proteins is experimentally determined by measuring a solution absorbance then experimentally determining the concentration, a measurement with some inherent variability depending on the method used. In this study, extinction coefficients were calculated based on the measured absorbance of model compounds of the four amino acid chromophores. These calculated values for an unfolded protein were then compared with an experimental concentration determination based on enzymatic digestion of proteins. The experimentally determined extinction coefficient for the native proteins was consistently found to be 1.05 times the calculated value for the unfolded proteins for a wide range of proteins with good accuracy and precision under well-controlled experimental conditions. The value of 1.05 times the calculated value was termed the predicted extinction coefficient. Statistical analysis shows that the differences between predicted and experimentally determined coefficients are scattered randomly, indicating no systematic bias between the values among the proteins measured. The predicted extinction coefficient was found to be accurate and not subject to the inherent variability of experimental methods. We propose the use of a predicted extinction coefficient for determining the protein concentration of therapeutic proteins starting from early development through the lifecycle of the product. LAY ABSTRACT: Knowing the concentration of a protein in a pharmaceutical solution is important to the drug's development and posology. There are many ways to determine the concentration, but the easiest one to use in a testing lab employs absorption spectroscopy. Absorbance of ultraviolet light by a protein solution is proportional to its concentration and path length; the proportionality constant is the extinction coefficient. The extinction coefficient of a protein therapeutic is usually determined experimentally during early product development and has some inherent method variability. In this study, extinction coefficients of several proteins were calculated based on the measured absorbance of model compounds. These calculated values for an unfolded protein were then compared with experimental concentration determinations based on enzymatic digestion of the proteins. The experimentally determined extinction coefficient for the native protein was 1.05 times the calculated value for the unfolded protein with good accuracy and precision under controlled experimental conditions, so the value of 1.05 times the calculated coefficient was called the predicted extinction coefficient. Comparison of predicted and measured extinction coefficients indicated that the predicted value was very close to the experimentally determined values for the proteins. The predicted extinction coefficient was accurate and removed the variability inherent in experimental methods. © PDA, Inc. 2017.

40 CFR 85.525 - Applicable standards.

Code of Federal Regulations, 2013 CFR

2013-07-01

... results from the emission data vehicle (EDV) representing the pre-conversion test group. The sum of CO2, CH4, and N2O shall be calculated for pre- and post-conversion FTP test results, where CH4 and N2O are..., and N2O shall be calculated for pre- and post-conversion FTP test results, where CH4 and N2O are...

CONTINUOUS-ENERGY MONTE CARLO METHODS FOR CALCULATING GENERALIZED RESPONSE SENSITIVITIES USING TSUNAMI-3D

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

Perfetti, Christopher M; Rearden, Bradley T

2014-01-01

This work introduces a new approach for calculating sensitivity coefficients for generalized neutronic responses to nuclear data uncertainties using continuous-energy Monte Carlo methods. The approach presented in this paper, known as the GEAR-MC method, allows for the calculation of generalized sensitivity coefficients for multiple responses in a single Monte Carlo calculation with no nuclear data perturbations or knowledge of nuclear covariance data. The theory behind the GEAR-MC method is presented here, and proof of principle is demonstrated by using the GEAR-MC method to calculate sensitivity coefficients for responses in several 3D, continuous-energy Monte Carlo applications.

Numerical study of centrifugal compressor stage vaneless diffusers

NASA Astrophysics Data System (ADS)

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

2015-08-01

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

Calculation Methods and Conversions for Pesticide Application.

ERIC Educational Resources Information Center

Cole, Herbert, Jr.

This agriculture extension service publication from Pennsylvania State University consists of conversion tables and formulas for determining concentration and rate of application of pesticides. Contents include: (1) Area and volume conversions; (2) Important conversion formulae; (3) Conversions for rates of application; (4) Quantities of pesticide…

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

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

Benoist, P.

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

Revised Mulliken Electronegativities I. Calculation and Conversion to Pauling Units.

ERIC Educational Resources Information Center

Bratsch, Steven G.

1988-01-01

Discusses a revision and extension of the Mulliken electronegativity scale to consider 50 elements. Describes the calculation of valence-state promotion energies and Mulliken atomic electronegativities and the conversion of Mulliken electronegativities to Pauling units. (CW)

Multiple-Band Linear-Polarization Conversion and Circular Polarization in Reflection Mode Using a Symmetric Anisotropic Metasurface

NASA Astrophysics Data System (ADS)

Lin, Bao-Qin; Guo, Jian-Xin; Chu, Peng; Huo, Wen-Jun; Xing, Zhuo; Huang, Bai-Gang; Wu, Lan

2018-02-01

In this work, we propose a multiband linear-polarization (LP) conversion and circular polarization (CP) maintaining reflector using a symmetric anisotropic metasurface. The anisotropic metasurface is composed of a square array of a two-corner-cut square multiring disk printed on a grounded dielectric substrate, which is a symmetric structure with a pair of mutually perpendicular symmetric axes u and v along the ±45 ° directions with respect to the y -axis direction. The simulated results show that the reflector can realize LP conversion in five frequency bands at both x - and y -polarized incidence, the first four bands all have a certain bandwidth, and the fourth one, especially, is an ultrawideband. In addition, because of the symmetry of the reflector structure, the polarization state of a CP wave can be maintained after reflection, and the magnitude of the copolarized reflection coefficient at the CP incidence is just equal to that of the cross-polarized reflection coefficient at the x - and y -polarized incidence. We analyze the root cause of the multiband LP conversion and CP maintaining reflection, and carry out one experiment to verify the proposed reflector.

Solubility and durability of cardanol derived plasticizers for soft PVC

NASA Astrophysics Data System (ADS)

Greco, Antonio; Ferrari, Francesca; Velardi, Rosario; Frigione, Mariaenrica; Maffezzoli, Alfonso

2015-12-01

This work is aimed to study the suitability of cardanol derivatives as primary plasticizer for PVC. The innovative plasticizer is obtained by chemical modification of cardanol, a natural, renewable resource, obtained as a by-product of the cashew nut shell industry. Cardanol derived plasticizers (CDP) were prepared by following various procedures, that allow obtaining different degrees of conversion of cardanol. Rheological and ageing tests were made on soft PVC produced by the addition of CDP;results obtained were compared to soft PVC attained by the use of di-ethyl-hexyl-phthalate (DEHP) and other natural derived plasticizers already used in PVC industry (epoxidated soybean oil, ESBO, and acetic acid ester, AAE).A high dependence on the degree of conversion was found: CDP with a good degree of conversion have similar gelation temperature and diffusion coefficient compared to DEHP based plastisols. Otherwise,CDP with a low degree of conversionshow a higher diffusion coefficient, index of a fast migration of the plasticizer from soft PVC.

Calculation of Distribution Coefficients of Cobalt and Copper in Matte and Slag Phases in Reduction-Vulcanization Process of Copper Converter Slag

NASA Astrophysics Data System (ADS)

Du, Ke; Li, Hongxu; Zhang, Mingming

2017-11-01

Copper and cobalt are two of the most valuable metals that can be recovered from copper converter slag. In the reduction-vulcanization process, copper is reduced before cobalt, while FeS vulcanizes Cu2O into Cu2S and forms the matte phase. The matte phase can dissolve the reduced metals as solvent. In this study, the distribution coefficient of cobalt between metallic cobalt in matte and CoO in slag, namely L Co, was calculated to be 5000-8500 at the reaction temperature of 1600-1700 K, while the distribution coefficient between CoS and CoO, namely L_{Co}^{{^' } }}, was calculated to be between 6 and 8. The distribution coefficient of copper between metallic copper in matte and Cu2O in slag, namely L Cu, was calculated to be in the range of 7500-8500, while the coefficient between Cu2S and Cu2O, namely L_{Cu}^{{^' } }}, was calculated to be in the range of 60,000-75,000.

COMPARISON OF COSMIC-RAY ENVIRONMENTS ON EARTH, MOON, MARS AND IN SPACECARFT USING PHITS.

PubMed

Sato, Tatsuhiko; Nagamatsu, Aiko; Ueno, Haruka; Kataoka, Ryuho; Miyake, Shoko; Takeda, Kazuo; Niita, Koji

2017-09-29

Estimation of cosmic-ray doses is of great importance not only in aircrew and astronaut dosimetry but also in evaluation of background radiation exposure to public. We therefore calculated the cosmic-ray doses on Earth, Moon and Mars as well as inside spacecraft, using Particle and Heavy Ion Transport code System PHITS. The same cosmic-ray models and dose conversion coefficients were employed in the calculation to properly compare between the simulation results for different environments. It is quantitatively confirmed that the thickness of physical shielding including the atmosphere and soil of the planets is the most important parameter to determine the cosmic-ray doses and their dominant contributors. The comparison also suggests that higher solar activity significantly reduces the astronaut doses particularly for the interplanetary missions. The information obtained from this study is useful in the designs of the future space missions as well as accelerator-based experiments dedicated to cosmic-ray research. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Using the Monte Carlo technique to calculate dose conversion coefficients for medical professionals in interventional radiology

NASA Astrophysics Data System (ADS)

Santos, W. S.; Carvalho, A. B., Jr.; Hunt, J. G.; Maia, A. F.

2014-02-01

The objective of this study was to estimate doses in the physician and the nurse assistant at different positions during interventional radiology procedures. In this study, effective doses obtained for the physician and at points occupied by other workers were normalised by air kerma-area product (KAP). The simulations were performed for two X-ray spectra (70 kVp and 87 kVp) using the radiation transport code MCNPX (version 2.7.0), and a pair of anthropomorphic voxel phantoms (MASH/FASH) used to represent both the patient and the medical professional at positions from 7 cm to 47 cm from the patient. The X-ray tube was represented by a point source positioned in the anterior posterior (AP) and posterior anterior (PA) projections. The CC can be useful to calculate effective doses, which in turn are related to stochastic effects. With the knowledge of the values of CCs and KAP measured in an X-ray equipment, at a similar exposure, medical professionals will be able to know their own effective dose.

MATHEMATICS PANEL QUARTERLY PROGRESS REPORT FOR PERIOD ENDING JULY 31, 1952

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

Perry, C.L. ed.

1952-10-27

The background and status of the following projects of the Mathematics Panel are reported: test problems for the ORAC arithmetic units errors in matrix operations; basic studies in the Monte Carlo methods A Sturm-Liouville problems approximate steady-state solution of the equation of continuity; estimation of volume of lymph space; xradiation effects on respiration rates in grasshopper embnyos; temperature effects in irradiation experiments with yeast; LD/sub 50/ estimation for burros and swine exposed to gamma radiation; thermal-neutron penetration in tissues; kinetics of HBr-HBrO/sub 3/ reaction; isotope effect in reaction rate constants; experimental determination of diffusivity coefficientss Dirac wave equationss fitting amore » calibration curves beta decay (field factors); neutron decay theorys calculation of internal conversion coefficients with screening; estimation of alignment ratios; optimum allocation of counting times calculation of coincidence probabilities for a double-crystal detectors reactor inequalities; heat flow in long rectangular tubes; solving an equation by numerical methods; numerical integration; evalvation of a functions depigmentation of a biological dosimeter. (L.M.T.)« less

VizieR Online Data Catalog: Rate coefficients for H2(v,j)+H2(v',j'

NASA Astrophysics Data System (ADS)

Mandy, M. E.

2016-11-01

State-specific rate coefficients for the dissociation of H2 result of collisions with H2 were calculated for all combinations of (v,j) with an internal energy below 1eV. Full-dimensional quasiclassical trajectories were calculated using the BMKP2 interaction potential with a minimum of 80000 trajectories at each translational energy. Additional large batches of trajectories were carried out to calculate the cross sections near the threshold to dissociation to attain the desired precision of the rate coefficients. A piecewise linear excitation function was used to calculate the rate coefficient between 100 and 100000K. The resulting state-specific rate coefficients, γ, were parametrized as a function of temperature over the range 600-10000K using: log10γ(t)=a+bz+cz2-d(1/t-1) where t=T/4500K and z=log10t. The values of the resulting rate coefficients were sensitive to the internal energy of both molecules, with initial vibrational energy having a slightly greater effect than rotational energy. This effect diminished as temperature increased. (15 data files).

Linear constraint relations in biochemical reaction systems: I. Classification of the calculability and the balanceability of conversion rates.

PubMed

van der Heijden, R T; Heijnen, J J; Hellinga, C; Romein, B; Luyben, K C

1994-01-05

Measurements provide the basis for process monitoring and control as well as for model development and validation. Systematic approaches to increase the accuracy and credibility of the empirical data set are therefore of great value. In (bio)chemical conversions, linear conservation relations such as the balance equations for charge, enthalpy, and/or chemical elements, can be employed to relate conversion rates. In a pactical situation, some of these rates will be measured (in effect, be calculated directly from primary measurements of, e.g., concentrations and flow rates), as others can or cannot be calculated from the measured ones. When certain measured rates can also be calculated from other measured rates, the set of equations, the accuracy and credibility of the measured rates can indeed be improved by, respectively, balancing and gross error diagnosis. The balanced conversion rates are more accurate, and form a consistent set of data, which is more suitable for further application (e.g., to calculate nonmeasured rates) than the raw measurements. Such an approach has drawn attention in previous studies. The current study deals mainly with the problem of mathematically classifying the conversion rates into balanceable and calculable rates, given the subset of measured rates. The significance of this problem is illustrated with some examples. It is shown that a simple matrix equation can be derived that contains the vector of measured conversion rates and the redundancy matrix R. Matrix R plays a predominant role in the classification problem. In supplementary articles, significance of the redundancy matrix R for an improved gross error diagnosis approach will be shown. In addition, efficient equations have been derived to calculate the balanceable and/or calculable rates. The method is completely based on matrix algebra (principally different from the graph-theoretical approach), and it is easily implemented into a computer program. (c) 1994 John Wiley & Sons, Inc.

ppcor: An R Package for a Fast Calculation to Semi-partial Correlation Coefficients.

PubMed

Kim, Seongho

2015-11-01

Lack of a general matrix formula hampers implementation of the semi-partial correlation, also known as part correlation, to the higher-order coefficient. This is because the higher-order semi-partial correlation calculation using a recursive formula requires an enormous number of recursive calculations to obtain the correlation coefficients. To resolve this difficulty, we derive a general matrix formula of the semi-partial correlation for fast computation. The semi-partial correlations are then implemented on an R package ppcor along with the partial correlation. Owing to the general matrix formulas, users can readily calculate the coefficients of both partial and semi-partial correlations without computational burden. The package ppcor further provides users with the level of the statistical significance with its test statistic.

All about MAX: a male adult voxel phantom for Monte Carlo calculations in radiation protection dosimetry

NASA Astrophysics Data System (ADS)

Kramer, R.; Vieira, J. W.; Khoury, H. J.; Lima, F. R. A.; Fuelle, D.

2003-05-01

The MAX (Male Adult voXel) phantom has been developed from existing segmented images of a male adult body, in order to achieve a representation as close as possible to the anatomical properties of the reference adult male specified by the ICRP. The study describes the adjustments of the soft-tissue organ masses, a new dosimetric model for the skin, a new model for skeletal dosimetry and a computational exposure model based on coupling the MAX phantom with the EGS4 Monte Carlo code. Conversion coefficients between equivalent dose to the red bone marrow as well as effective MAX dose and air-kerma free in air for external photon irradiation from the front and from the back, respectively, are presented and compared with similar data from other human phantoms.

Use of borated polyethylene to improve low energy response of a prompt gamma based neutron dosimeter

NASA Astrophysics Data System (ADS)

Priyada, P.; Ashwini, U.; Sarkar, P. K.

2016-05-01

The feasibility of using a combined sample of borated polyethylene and normal polyethylene to estimate neutron ambient dose equivalent from measured prompt gamma emissions is investigated theoretically to demonstrate improvements in low energy neutron dose response compared to only polyethylene. Monte Carlo simulations have been carried out using the FLUKA code to calculate the response of boron, hydrogen and carbon prompt gamma emissions to mono energetic neutrons. The weighted least square method is employed to arrive at the best linear combination of these responses that approximates the ICRP fluence to dose conversion coefficients well in the energy range of 10-8 MeV to 14 MeV. The configuration of the combined system is optimized through FLUKA simulations. The proposed method is validated theoretically with five different workplace neutron spectra with satisfactory outcome.

Hotplate precipitation gauge calibrations and field measurements

NASA Astrophysics Data System (ADS)

Zelasko, Nicholas; Wettlaufer, Adam; Borkhuu, Bujidmaa; Burkhart, Matthew; Campbell, Leah S.; Steenburgh, W. James; Snider, Jefferson R.

2018-01-01

First introduced in 2003, approximately 70 Yankee Environmental Systems (YES) hotplate precipitation gauges have been purchased by researchers and operational meteorologists. A version of the YES hotplate is described in Rasmussen et al. (2011; R11). Presented here is testing of a newer version of the hotplate; this device is equipped with longwave and shortwave radiation sensors. Hotplate surface temperature, coefficients describing natural and forced convective sensible energy transfer, and radiative properties (longwave emissivity and shortwave reflectance) are reported for two of the new-version YES hotplates. These parameters are applied in a new algorithm and are used to derive liquid-equivalent accumulations (snowfall and rainfall), and these accumulations are compared to values derived by the internal algorithm used in the YES hotplates (hotplate-derived accumulations). In contrast with R11, the new algorithm accounts for radiative terms in a hotplate's energy budget, applies an energy conversion factor which does not differ from a theoretical energy conversion factor, and applies a surface area that is correct for the YES hotplate. Radiative effects are shown to be relatively unimportant for the precipitation events analyzed. In addition, this work documents a 10 % difference between the hotplate-derived and new-algorithm-derived accumulations. This difference seems consistent with R11's application of a hotplate surface area that deviates from the actual surface area of the YES hotplate and with R11's recommendation for an energy conversion factor that differs from that calculated using thermodynamic theory.

47 CFR 3.2 - Terms and definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... forum for dealing with all aspects of international telecommunications, including radio, telecom services and telecom facilities. (m) Linking Coefficient. The ITU mandated conversion factor used to...

47 CFR 3.2 - Terms and definitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

... forum for dealing with all aspects of international telecommunications, including radio, telecom services and telecom facilities. (m) Linking Coefficient. The ITU mandated conversion factor used to...

47 CFR 3.2 - Terms and definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... forum for dealing with all aspects of international telecommunications, including radio, telecom services and telecom facilities. (m) Linking Coefficient. The ITU mandated conversion factor used to...

47 CFR 3.2 - Terms and definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... forum for dealing with all aspects of international telecommunications, including radio, telecom services and telecom facilities. (m) Linking Coefficient. The ITU mandated conversion factor used to...

Comparison of the effective dose rate to aircrew members using hybrid computational phantoms in standing and sitting postures.

PubMed

Alves, M C; Galeano, D C; Santos, W S; Lee, Choonsik; Bolch, Wesley E; Hunt, John G; da Silva, A X; Carvalho, A B

2016-12-01

Aircraft crew members are occupationally exposed to considerable levels of cosmic radiation at flight altitudes. Since aircrew (pilots and passengers) are in the sitting posture for most of the time during flight, and up to now there has been no data on the effective dose rate calculated for aircrew dosimetry in flight altitude using a sitting phantom, we therefore calculated the effective dose rate using a phantom in the sitting and standing postures in order to compare the influence of the posture on the radiation protection of aircrew members. We found that although the better description of the posture in which the aircrews are exposed, the results of the effective dose rate calculated with the phantom in the sitting posture were very similar to the results of the phantom in the standing posture. In fact we observed only a 1% difference. These findings indicate the adequacy of the use of dose conversion coefficients for the phantom in the standing posture in aircrew dosimetry. We also validated our results comparing the effective dose rate obtained using the standing phantom with values reported in the literature. It was observed that the results presented in this study are in good agreement with other authors (the differences are below 30%) who have measured and calculated effective dose rates using different phantoms.

Theoretical calculation of CH3F/N2-broadening coefficients and their temperature dependence

NASA Astrophysics Data System (ADS)

Jellali, C.; Maaroufi, N.; Aroui, H.

2018-07-01

Using Robert and Bonamy formalism (with parabolic and exact trajectories) based on the semi-classical impact theory, N2-broadening coefficients of methyl fluoride CH3F were calculated for transitions belonging to the PP-, PQ-, PR-, RP-, RQ- and RR- sub-branches of the ν6 perpendicular band near 8.5 μm. The calculations showed the predominance of the dipole-quadruple interaction. The J and K rotational quantum numbers dependencies of the computed coefficients that are consistent with previous measurements were clearly observed in this study. For a fixed value of J, we noticed a decrease in the broadening coefficients, which was more significant at lower J values. In order to deduce the temperature exponent, the N2-broadening coefficients of CH3F were calculated at various temperatures of atmospheric interest between 183 and 296 K with J ≤ 60 and K ≤ 10. These exponents were, in general, J-dependent and K-independent, except for K close to J.

Effective dose rate coefficients for exposure to contaminated soil

DOE PAGES

Veinot, Kenneth G.; Eckerman, Keith F.; Bellamy, Michael B.; ...

2017-05-10

The Oak Ridge National Laboratory Center for Radiation Protection Knowledge has undertaken calculations related to various environmental exposure scenarios. A previous paper reported the results for submersion in radioactive air and immersion in water using age-specific mathematical phantoms. This paper presents age-specific effective dose rate coefficients derived using stylized mathematical phantoms for exposure to contaminated soils. Dose rate coefficients for photon, electron, and positrons of discrete energies were calculated and folded with emissions of 1252 radionuclides addressed in ICRP Publication 107 to determine equivalent and effective dose rate coefficients. The MCNP6 radiation transport code was used for organ dose ratemore » calculations for photons and the contribution of electrons to skin dose rate was derived using point-kernels. Bremsstrahlung and annihilation photons of positron emission were evaluated as discrete photons. As a result, the coefficients calculated in this work compare favorably to those reported in the US Federal Guidance Report 12 as well as by other authors who employed voxel phantoms for similar exposure scenarios.« less

Effective dose rate coefficients for exposure to contaminated soil

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

Veinot, Kenneth G.; Eckerman, Keith F.; Bellamy, Michael B.

The Oak Ridge National Laboratory Center for Radiation Protection Knowledge has undertaken calculations related to various environmental exposure scenarios. A previous paper reported the results for submersion in radioactive air and immersion in water using age-specific mathematical phantoms. This paper presents age-specific effective dose rate coefficients derived using stylized mathematical phantoms for exposure to contaminated soils. Dose rate coefficients for photon, electron, and positrons of discrete energies were calculated and folded with emissions of 1252 radionuclides addressed in ICRP Publication 107 to determine equivalent and effective dose rate coefficients. The MCNP6 radiation transport code was used for organ dose ratemore » calculations for photons and the contribution of electrons to skin dose rate was derived using point-kernels. Bremsstrahlung and annihilation photons of positron emission were evaluated as discrete photons. As a result, the coefficients calculated in this work compare favorably to those reported in the US Federal Guidance Report 12 as well as by other authors who employed voxel phantoms for similar exposure scenarios.« less

Conversion of blood androgens to estrogens in normal adult men and women

PubMed Central

Longcope, Christopher; Kato, Tatsuo; Horton, Richard

1969-01-01

Continuous infusions of Δ4-androstenedione-7-3H and testosterone-7-3H have been used to demonstrate that these androgens are converted to estrone and 17β-estradiol, and contribute to the circulating blood levels of these estrogens in normal males and females. The conversion ratio (ratio of concentrations of radioactivity of free product steroid [χ-PRO] and free precursor steroid [χ-PRE], both corrected for recoveries, after an infusion of radioactive precursor steroid) for androstenedione (precursor) to estrone (product) is 0.013 in males and 0.007 in females, and the conversion ratio for testosterone (precursor) to estradiol (product) is 0.0018 in males and 0.005 in females. The transfer constant, [ρ]BBAE1, for androstenedione conversion to estrone ([ρ]BBAE1 = per cent of infused androstenedione, precursor, converted to estrone, product, when infusion and measurement are both in blood) is 1.35% in males and 0.74% in females, and the transfer constant, [ρ]BBTE2, for testosterone conversion to estradiol is 0.39% in males and 0.15% in females. Whether measured as conversion ratio or transfer constant, the peripheral aromatization of androstenedione takes place to a greater degree than that of testosterone, and, for the respective androgens, both the conversion ratio and [ρ]BB value are greater in males than females. For the androgen interconversions, [ρ]BBAT is 4.5% in males and 2.2% in females; [ρ]BBTA is 8.2% in males and 12.0% in females. Studies on the distribution coefficients (effective concentration in red cells/plasma) for precursor radioactivity were also made. In both males and females the distribution coefficient for androstenedione is 0.16-0.17 while that of testosterone is 0.01-0.03. PMID:5355335

Investigation for all polarization conversions of the guided-modes in a bending waveguide

NASA Astrophysics Data System (ADS)

Shi, Yunjie; Shang, Hongpeng; Sun, DeGui

2018-03-01

In this work, a new solution to the partial differential Maxwell equations is first derived to investigate all polarization conversions of the transverse and the longitudinal components of guided-modes in a bending waveguide. Then, for the silica-waveguides, the polarization conversion efficiencies are numerical calculated and a significant finding is that the transverse-longitudinal polarization conversion efficiency is much higher than that of transverse-transverse polarization conversion. Furthermore, the dependences of all the conversion efficiencies on waveguide parameters are found. The agreeable results between the numerical calculation and the finite difference time-domain (FDTD) simulation show that for two 100 μm long bending waveguides of 0.75 and 1.50% index contrasts, the amplitude conversion efficiencies from ∼10-3 to ∼10-2 can be realized for the transverse-transverse polarization components and that of ∼10-1 can be realized for the transverse-longitudinal polarization components.

Total Protein Content Determination of Microalgal Biomass by Elemental Nitrogen Analysis and a Dedicated Nitrogen-to-Protein Conversion Factor

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

Laurens, Lieve M; Olstad-Thompson, Jessica L; Templeton, David W

Accurately determining protein content is important in the valorization of algal biomass in food, feed, and fuel markets, where these values are used for component balance calculations. Conversion of elemental nitrogen to protein is a well-accepted and widely practiced method, but depends on developing an applicable nitrogen-to-protein conversion factor. The methodology reported here covers the quantitative assessment of the total nitrogen content of algal biomass and a description of the methodology that underpins the accurate de novo calculation of a dedicated nitrogen-to-protein conversion factor.

Effect of concentration dependence of the diffusion coefficient on homogenization kinetics in multiphase binary alloy systems

NASA Technical Reports Server (NTRS)

Tenney, D. R.; Unnam, J.

1978-01-01

Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.

The nature of crustal reflectivity at the southwest Iberian margin

NASA Astrophysics Data System (ADS)

Buffett, G. G.; Torne, M.; Carbonell, R.; Melchiorre, M.; Vergés, J.; Fernàndez, M.

2017-11-01

Reprocessing of multi-channel seismic reflection data acquired over the northern margin of the Gulf of Cádiz (SW Iberian margin) places new constraints on the upper crustal structure of the Guadalquivir-Portimão Bank. The data presented have been processed with optimized stacking and interval velocity models, a better approach to multiple attenuation, preserved amplitude information to derive the nature of seismic reflectivity, and accurate time-to-depth conversion after migration. The reprocessed data reveal a bright upper crustal reflector just underneath the Paleozoic basement that spatially coincides with the local positive free-air gravity high called the Gulf of Cádiz Gravity High. To investigate the nature of this reflector and to decipher whether it could be associated with pieces of mantle material emplaced at upper crustal levels, we calculated its reflection coefficient and compared it to a buried high-density ultramafic body (serpentinized peridotite) at the Gorringe Bank. Its reflection coefficient ratio with respect to the sea floor differs by only 4.6% with that calculated for the high-density ultramafic body of the Gorringe Bank, while it differs by 35.8% compared to a drilled Miocene limestone unconformity. This means that the Gulf of Cádiz reflector has a velocity and/or density contrast similar to the peridotite at the Gorringe Bank. However, considering the depth at which it is found (between 2.0 and 4.0 km) and the available geological information, it seems unlikely that the estimated shortening from the Oligocene to present is sufficient to emplace pieces of mantle material at these shallow levels. Therefore, and despite the similarity in its reflection coefficient with the peridotites of the Gorringe Bank, our preferred interpretation is that the upper crustal Gulf of Cádiz reflector represents the seismic response of high-density intracrustal magmatic intrusions that may partially contribute to the Gulf of Cádiz Gravity High.

Development of estimation method for crop yield using MODIS satellite imagery data and process-based model for corn and soybean in US Corn-Belt region

NASA Astrophysics Data System (ADS)

Lee, J.; Kang, S.; Jang, K.; Ko, J.; Hong, S.

2012-12-01

Crop productivity is associated with the food security and hence, several models have been developed to estimate crop yield by combining remote sensing data with carbon cycle processes. In present study, we attempted to estimate crop GPP and NPP using algorithm based on the LUE model and a simplified respiration model. The state of Iowa and Illinois was chosen as the study site for estimating the crop yield for a period covering the 5 years (2006-2010), as it is the main Corn-Belt area in US. Present study focuses on developing crop-specific parameters for corn and soybean to estimate crop productivity and yield mapping using satellite remote sensing data. We utilized a 10 km spatial resolution daily meteorological data from WRF to provide cloudy-day meteorological variables but in clear-say days, MODIS-based meteorological data were utilized to estimate daily GPP, NPP, and biomass. County-level statistics on yield, area harvested, and productions were used to test model predicted crop yield. The estimated input meteorological variables from MODIS and WRF showed with good agreements with the ground observations from 6 Ameriflux tower sites in 2006. For examples, correlation coefficients ranged from 0.93 to 0.98 for Tmin and Tavg ; from 0.68 to 0.85 for daytime mean VPD; from 0.85 to 0.96 for daily shortwave radiation, respectively. We developed county-specific crop conversion coefficient, i.e. ratio of yield to biomass on 260 DOY and then, validated the estimated county-level crop yield with the statistical yield data. The estimated corn and soybean yields at the county level ranged from 671 gm-2 y-1 to 1393 gm-2 y-1 and from 213 gm-2 y-1 to 421 gm-2 y-1, respectively. The county-specific yield estimation mostly showed errors less than 10%. Furthermore, we estimated crop yields at the state level which were validated against the statistics data and showed errors less than 1%. Further analysis for crop conversion coefficient was conducted for 200 DOY and 280 DOY. For the case of 280 DOY, Crop yield estimation showed better accuracy for soybean at county level. Though the case of 200 DOY resulted in less accuracy (i.e. 20% mean bias), it provides a useful tool for early forecasting of crop yield. We improved the spatial accuracy of estimated crop yield at county level by developing county-specific crop conversion coefficient. Our results indicate that the aboveground crop biomass can be estimated successfully with the simple LUE and respiration models combined with MODIS data and then, county-specific conversion coefficient can be different with each other across different counties. Hence, applying region-specific conversion coefficient is necessary to estimate crop yield with better accuracy.

A program for calculating load coefficient matrices utilizing the force summation method, L218 (LOADS). Volume 2: Supplemental system design and maintenance document

NASA Technical Reports Server (NTRS)

Anderson, L. R.; Miller, R. D.

1979-01-01

The LOADS computer program L218 which calculates dynamic load coefficient matrices utilizing the force summation method is described. The load equations are derived for a flight vehicle in straight and level flight and excited by gusts and/or control motions. In addition, sensor equations are calculated for use with an active control system. The load coefficient matrices are calculated for the following types of loads: (1) translational and rotational accelerations, velocities, and displacements; (2) panel aerodynamic forces; (3) net panel forces; and (4) shears, bending moments, and torsions.

Emission coefficients of low temperature thermal iron plasma

NASA Astrophysics Data System (ADS)

Mościcki, T.; Hoffman, J.; Szymański, Z.

2004-03-01

Iron plasma appears during material processing with laser, electric are etc., and has considerable influence on the processing conditions. In this paper emission coefficients of low temperature thermal iron plasma at atmospheric pressure are presented. Net emission coefficients ɛ N have been calculated for pure iron plasma as well as for Fe-Ar and Fe-He plasma mixtures. To calculate the recombination radiation the knowledge of the Biberman factors ξ {fb/z}( T e, λ) is necessary and they have been calculated from the iron photo-ionization cross sections. The calculations allow estimation of energy losses, energy radiated by plasma plume and its comparison with the energy absorbed from laser beam.

Non-vascular interventional procedures: effective dose to patient and equivalent dose to abdominal organs by means of DICOM images and Monte Carlo simulation.

PubMed

Longo, Mariaconcetta; Marchioni, Chiara; Insero, Teresa; Donnarumma, Raffaella; D'Adamo, Alessandro; Lucatelli, Pierleone; Fanelli, Fabrizio; Salvatori, Filippo Maria; Cannavale, Alessandro; Di Castro, Elisabetta

2016-03-01

This study evaluates X-ray exposure in patient undergoing abdominal extra-vascular interventional procedures by means of Digital Imaging and COmmunications in Medicine (DICOM) image headers and Monte Carlo simulation. The main aim was to assess the effective and equivalent doses, under the hypothesis of their correlation with the dose area product (DAP) measured during each examination. This allows to collect dosimetric information about each patient and to evaluate associated risks without resorting to in vivo dosimetry. The dose calculation was performed in 79 procedures through the Monte Carlo simulator PCXMC (A PC-based Monte Carlo program for calculating patient doses in medical X-ray examinations), by using the real geometrical and dosimetric irradiation conditions, automatically extracted from DICOM headers. The DAP measurements were also validated by using thermoluminescent dosemeters on an anthropomorphic phantom. The expected linear correlation between effective doses and DAP was confirmed with an R(2) of 0.974. Moreover, in order to easily calculate patient doses, conversion coefficients that relate equivalent doses to measurable quantities, such as DAP, were obtained. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Calculated spanwise lift distributions, influence functions, and influence coefficients for unswept wings in subsonic flow

NASA Technical Reports Server (NTRS)

Diederich, Franklin W; Zlotnick, Martin

1955-01-01

Spanwise lift distributions have been calculated for nineteen unswept wings with various aspect ratios and taper ratios and with a variety of angle-of-attack or twist distributions, including flap and aileron deflections, by means of the Weissinger method with eight control points on the semispan. Also calculated were aerodynamic influence coefficients which pertain to a certain definite set of stations along the span, and several methods are presented for calculating aerodynamic influence functions and coefficients for stations other than those stipulated. The information presented in this report can be used in the analysis of untwisted wings or wings with known twist distributions, as well as in aeroelastic calculations involving initially unknown twist distributions.

Aggregating land use quantity and intensity to link water quality in upper catchment of Miyun Reservoir

NASA Astrophysics Data System (ADS)

Xu, E.

2015-12-01

Land use is closely related to hydrological and biochemical processes influencing the water quality. Quantifying relationship between both of them can help effectively manage land use to improve water quality. Previous studies majorly utilized land use quantity as an indicator to link water quality parameters, which lacked an insight to the influence of land use intensity. Taking upper catchment of Miyun Reservoir as a case study, we proposed a method of aggregating land use quantity and intensity to build a new land use indicator and investigated its explanation empower on water quality. Six nutrient concentrations from 52 sub-watersheds covering the whole catchment were used to characterize spatial distributions of water eutrophication. Based on spatial techniques and empirical conversion coefficients, combined remote sensing with socio-economic statistical data, land use intensity was measured and mapped visually. Then the new land use indicator was calculated and linked to nutrient concentrations by Pearson correlation coefficients. Results demonstrated that our new land use indicator incorporating intensity information can quantify the potential different nutrients exporting abilities from land uses. Comparing to traditional indicators only characterized by land use quantity, most Pearson correlation coefficients between new indicator and water nutrient concentrations increased. New information enhanced the explanatory power of land use on water nutrient concentrations. Then it can help better understand the impact of land use on water quality and guide land use management for supporting decision making.

Fuel Breeding and Core Behavior Analyses on In Core Fuel Management of Water Cooled Thorium Reactors

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

Permana, Sidik; Department of Physics, Bandung Institute of Technology, Gedung Fisika, Jl. Ganesha 10, Bandung 40132; Sekimoto, Hiroshi

2010-12-23

Thorium fuel cycle with recycled U-233 has been widely recognized having some contributions to improve the water-cooled breeder reactor program which has been shown by a feasible area of breeding and negative void reactivity which confirms that fissile of 233U contributes to better fuel breeding and effective for obtaining negative void reactivity coefficient as the main fissile material. The present study has the objective to estimate the effect of whole core configuration as well as burnup effects to the reactor core profile by adopting two dimensional model of fuel core management. About more than 40 months of cycle period hasmore » been employed for one cycle fuel irradiation of three batches fuel system for large water cooled thorium reactors. All position of fuel arrangement contributes to the total core conversion ratio which gives conversion ratio less than unity of at the BOC and it contributes to higher than unity (1.01) at the EOC after some irradiation process. Inner part and central part give the important part of breeding contribution with increasing burnup process, while criticality is reduced with increasing the irradiation time. Feasibility of breeding capability of water-cooled thorium reactors for whole core fuel arrangement has confirmed from the obtained conversion ratio which shows higher than unity. Whole core analysis on evaluating reactivity change which is caused by the change of voided condition has been employed for conservative assumption that 100% coolant and moderator are voided. It obtained always a negative void reactivity coefficient during reactor operation which shows relatively more negative void coefficient at BOC (fresh fuel composition), and it becomes less negative void coefficient with increasing the operation time. Negative value of void reactivity coefficient shows the reactor has good safety properties in relation to the reactivity profile which is the main parameter in term of criticality safety analysis. Therefore, this evaluation has confirmed that breeding condition and negative coefficient can be obtained simultaneously for water-cooled thorium reactor obtains based on the whole core fuel arrangement.« less

The SSME HPFTP interstage seals: Analysis and experiments for leakage and reaction-force coefficients

NASA Technical Reports Server (NTRS)

Childs, D. W.

1983-01-01

An improved theory for the prediction of the rotordynamic coefficients of turbulent annular seals was developed. Predictions from the theory are compared to the experimental results and an approach for the direct calculation of empirical turbulent coefficients from test data are introduced. An improved short seal solution is shown to do a better job of calculating effective stiffness and damping coefficients than either the original short seal solution or a finite length solution. However, the original short seal solution does a much better job of predicting equivalent added mass coefficient.

Calculation of equivalent friction coefficient for castor seed by single screw press

NASA Astrophysics Data System (ADS)

Liu, R.; Xiao, Z.; Li, C.; Zhang, L.; Li, P.; Li, H.; Zhang, A.; Tang, S.; Sun, F.

2017-08-01

Based on the traction angle and transportation rate equation, castor beans were pressed by application of single screw under different cake diameter and different screw speed. The results showed that the greater the cake diameter and screw rotation speed, the greater the actual transmission rate was. The equivalent friction coefficient was defined and calculated as 0.4136, and the friction coefficients between press material and screw, bar cage were less than the equivalent friction coefficient value.

As-built design specification for the CLASFYG program

NASA Technical Reports Server (NTRS)

Horton, C. L. (Principal Investigator)

1981-01-01

This program produces a file with a Universal-formatted header and data records in a nonstandard format. Trajectory coefficients are calculated from 5 to 8 acquisitions of radiance values in the training field corresponding to an agricultural product. These coefficients are then used to calculate a time of emergence and corresponding trajectory coefficients for each pixel in the test field. The time of emergence, two of the coefficients, and the sigma value for each pixel are written to the file.

Weak hamiltonian Wilson Coefficients from Lattice QCD

NASA Astrophysics Data System (ADS)

Bruno, Mattia

2018-03-01

n this work we present a calculation of the Wilson Coefficients C1 and C2 of the Effective Weak Hamiltonian to all-orders in αs, using lattice simulations. Given the current availability of lattice spacings we restrict our calculation to unphysically light W bosons around 2 GeV and we study the systematic uncertainties of the two Wilson Coefficients.

Refractive index and extinction coefficient of NH2CH  =  NH2PbI3 perovskite photovoltaic material.

PubMed

Xie, Ziang; Sun, Shuren; Yan, Yu; Zhang, Lili; Hou, Ruixiang; Tian, Fuyang; Qin, G G

2017-06-21

Very recently, the NH 2 CH  =  NH 2 PbI 3 (FAPbI 3 ) perovskite material has attracted considerable attention in fabricating solar cells (SCs). For a photovoltaic material, its refractive index and extinction coefficient, n(λ) and k(λ), as functions of λ, are important to study its optical properties and to estimate the power conversion efficiency potential for the SCs made of it. As far as we know, to date there has been no reports of n(λ) and k(λ) for FAPbI 3 material. In this article, with spectroscopic ellipsometry (SE) measurements, the n(λ) and k(λ), as well as E g   =  1.45 eV for FAPbI 3 , are acquired. The fast deposition crystallization (FDC) procedure combined with the slowed down annealing (SDA) process is applied to fabricate smooth and uniform FAPbI 3 film on quartz substrate. Several kinds of organic solvents were tried as the second solvent in the FDC procedure, and it is found that when petroleum ether is used, the smallest surface roughness and good FAPbI 3 material purity of the FAPbI 3 film can be acquired. The k(λ) results for FAPbI 3 obtained by SE, calculated from the n(λ) using the Kramers-Kronig relationship, by absorbance, and by first-principles calculations, are compared. The n(λ) and k(λ) for FAPbI 3 are also compared with those for CH 3 NH 3 PbI 3 , GaAs and c-Si.

Refractive index and extinction coefficient of NH2CH  =  NH2PbI3 perovskite photovoltaic material

NASA Astrophysics Data System (ADS)

Xie, Ziang; Sun, Shuren; Yan, Yu; Zhang, Lili; Hou, Ruixiang; Tian, Fuyang; Qin, G. G.

2017-06-01

Very recently, the NH2CH  =  NH2PbI3 (FAPbI3) perovskite material has attracted considerable attention in fabricating solar cells (SCs). For a photovoltaic material, its refractive index and extinction coefficient, n(λ) and k(λ), as functions of λ, are important to study its optical properties and to estimate the power conversion efficiency potential for the SCs made of it. As far as we know, to date there has been no reports of n(λ) and k(λ) for FAPbI3 material. In this article, with spectroscopic ellipsometry (SE) measurements, the n(λ) and k(λ), as well as E g  =  1.45 eV for FAPbI3, are acquired. The fast deposition crystallization (FDC) procedure combined with the slowed down annealing (SDA) process is applied to fabricate smooth and uniform FAPbI3 film on quartz substrate. Several kinds of organic solvents were tried as the second solvent in the FDC procedure, and it is found that when petroleum ether is used, the smallest surface roughness and good FAPbI3 material purity of the FAPbI3 film can be acquired. The k(λ) results for FAPbI3 obtained by SE, calculated from the n(λ) using the Kramers-Kronig relationship, by absorbance, and by first-principles calculations, are compared. The n(λ) and k(λ) for FAPbI3 are also compared with those for CH3NH3PbI3, GaAs and c-Si.

Ionised concentrations in calcium and magnesium buffers: Standards and precise measurement are mandatory.

PubMed

McGuigan, John A S; Kay, James W; Elder, Hugh Y

2016-09-01

In Ca(2+) and Mg(2+) buffer solutions the ionised concentrations ([X(2+)]) are either calculated or measured. Calculated values vary by up to a factor of seven due to the following four problems: 1) There is no agreement amongst the tabulated constants in the literature. These constants have usually to be corrected for ionic strength and temperature. 2) The ionic strength correction entails the calculation of the single ion activity coefficient, which involves non-thermodynamic assumptions; the data for temperature correction is not always available. 3) Measured pH is in terms of activity i.e. pHa. pHa measurements are complicated by the change in the liquid junction potentials at the reference electrode making an accurate conversion from H(+) activity to H(+) concentration uncertain. 4) Ligands such as EGTA bind water and are not 100% pure. Ligand purity has to be measured, even when the [X(2+)] are calculated. The calculated [X(2+)] in buffers are so inconsistent that calculation is not an option. Until standards are available, the [X(2+)] in the buffers must be measured. The Ligand Optimisation Method is an accurate and independently verified method of doing this (McGuigan & Stumpff, Anal. Biochem. 436, 29, 2013). Lack of standards means it is not possible to compare the published [Ca(2+)] in the nmolar range, and the apparent constant (K(/)) values for Ca(2+) and Mg(2+) binding to intracellular ligands amongst different laboratories. Standardisation of Ca(2+)/Mg(2+) buffers is now essential. The parameters to achieve this are proposed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Dose factor entry and display tool for BNCT radiotherapy

DOEpatents

Wessol, Daniel E.; Wheeler, Floyd J.; Cook, Jeremy L.

1999-01-01

A system for use in Boron Neutron Capture Therapy (BNCT) radiotherapy planning where a biological distribution is calculated using a combination of conversion factors and a previously calculated physical distribution. Conversion factors are presented in a graphical spreadsheet so that a planner can easily view and modify the conversion factors. For radiotherapy in multi-component modalities, such as Fast-Neutron and BNCT, it is necessary to combine each conversion factor component to form an effective dose which is used in radiotherapy planning and evaluation. The Dose Factor Entry and Display System is designed to facilitate planner entry of appropriate conversion factors in a straightforward manner for each component. The effective isodose is then immediately computed and displayed over the appropriate background (e.g. digitized image).

Efficient calculation of atomic rate coefficients in dense plasmas

NASA Astrophysics Data System (ADS)

Aslanyan, Valentin; Tallents, Greg J.

2017-03-01

Modelling electron statistics in a cold, dense plasma by the Fermi-Dirac distribution leads to complications in the calculations of atomic rate coefficients. The Pauli exclusion principle slows down the rate of collisions as electrons must find unoccupied quantum states and adds a further computational cost. Methods to calculate these coefficients by direct numerical integration with a high degree of parallelism are presented. This degree of optimization allows the effects of degeneracy to be incorporated into a time-dependent collisional-radiative model. Example results from such a model are presented.

Parameterization and sensitivity analyses of a radiative transfer model for remote sensing plant canopies

NASA Astrophysics Data System (ADS)

Hall, Carlton Raden

A major objective of remote sensing is determination of biochemical and biophysical characteristics of plant canopies utilizing high spectral resolution sensors. Canopy reflectance signatures are dependent on absorption and scattering processes of the leaf, canopy properties, and the ground beneath the canopy. This research investigates, through field and laboratory data collection, and computer model parameterization and simulations, the relationships between leaf optical properties, canopy biophysical features, and the nadir viewed above-canopy reflectance signature. Emphasis is placed on parameterization and application of an existing irradiance radiative transfer model developed for aquatic systems. Data and model analyses provide knowledge on the relative importance of leaves and canopy biophysical features in estimating the diffuse absorption a(lambda,m-1), diffuse backscatter b(lambda,m-1), beam attenuation alpha(lambda,m-1), and beam to diffuse conversion c(lambda,m-1 ) coefficients of the two-flow irradiance model. Data sets include field and laboratory measurements from three plant species, live oak (Quercus virginiana), Brazilian pepper (Schinus terebinthifolius) and grapefruit (Citrus paradisi) sampled on Cape Canaveral Air Force Station and Kennedy Space Center Florida in March and April of 1997. Features measured were depth h (m), projected foliage coverage PFC, leaf area index LAI, and zenith leaf angle. Optical measurements, collected with a Spectron SE 590 high sensitivity narrow bandwidth spectrograph, included above canopy reflectance, internal canopy transmittance and reflectance and bottom reflectance. Leaf samples were returned to laboratory where optical and physical and chemical measurements of leaf thickness, leaf area, leaf moisture and pigment content were made. A new term, the leaf volume correction index LVCI was developed and demonstrated in support of model coefficient parameterization. The LVCI is based on angle adjusted leaf thickness Ltadj, LAI, and h (m). Its function is to translate leaf level estimates of diffuse absorption and backscatter to the canopy scale allowing the leaf optical properties to directly influence above canopy estimates of reflectance. The model was successfully modified and parameterized to operate in a canopy scale and a leaf scale mode. Canopy scale model simulations produced the best results. Simulations based on leaf derived coefficients produced calculated above canopy reflectance errors of 15% to 18%. A comprehensive sensitivity analyses indicated the most important parameters were beam to diffuse conversion c(lambda, m-1), diffuse absorption a(lambda, m-1), diffuse backscatter b(lambda, m-1), h (m), Q, and direct and diffuse irradiance. Sources of error include the estimation procedure for the direct beam to diffuse conversion and attenuation coefficients and other field and laboratory measurement and analysis errors. Applications of the model include creation of synthetic reflectance data sets for remote sensing algorithm development, simulations of stress and drought on vegetation reflectance signatures, and the potential to estimate leaf moisture and chemical status.

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

S.A. Feshchenko; V.I. Pleshkov; I.N. Shishchuk

To reduce the costs of blast-furnace smelting, the Svobodnyi Sokol plant has devised a comprehensive program of organizational-technical measures that include study of ways of reducing coke consumption. To do this, the plant began operating its blast furnaces with schungite when making foundry and conversion pig irons. Using schungite in the charge employed to make foundry iron makes it possible to save a significant (10-15%) amount of coke. The value of the coefficient that characterizes the replacement of coke by schungite varies broadly and can reach 1.0 or more, depending on the grade of iron being made and the furnacemore » operating regime. The same coefficient has a value of 0.57 kg coke/kg schungite when 12-15 kg schungite/ton pig is used to make conversion pig iron.« less

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model.

PubMed

Diaz-Rodriguez, Sebastian; Bozada, Samantha M; Phifer, Jeremy R; Paluch, Andrew S

2016-11-01

We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of [Formula: see text] log units (ranking 15 out of 62 entries), the correlation coefficient (R) was [Formula: see text] (ranking 35), and [Formula: see text] of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

The influence of hydrogen bonding on partition coefficients

NASA Astrophysics Data System (ADS)

Borges, Nádia Melo; Kenny, Peter W.; Montanari, Carlos A.; Prokopczyk, Igor M.; Ribeiro, Jean F. R.; Rocha, Josmar R.; Sartori, Geraldo Rodrigues

2017-02-01

This Perspective explores how consideration of hydrogen bonding can be used to both predict and better understand partition coefficients. It is shown how polarity of both compounds and substructures can be estimated from measured alkane/water partition coefficients. When polarity is defined in this manner, hydrogen bond donors are typically less polar than hydrogen bond acceptors. Analysis of alkane/water partition coefficients in conjunction with molecular electrostatic potential calculations suggests that aromatic chloro substituents may be less lipophilic than is generally believed and that some of the effect of chloro-substitution stems from making the aromatic π-cloud less available to hydrogen bond donors. Relationships between polarity and calculated hydrogen bond basicity are derived for aromatic nitrogen and carbonyl oxygen. Aligned hydrogen bond acceptors appear to present special challenges for prediction of alkane/water partition coefficients and this may reflect `frustration' of solvation resulting from overlapping hydration spheres. It is also shown how calculated hydrogen bond basicity can be used to model the effect of aromatic aza-substitution on octanol/water partition coefficients.

Transmission Loss Calculation using A and B Loss Coefficients in Dynamic Economic Dispatch Problem

NASA Astrophysics Data System (ADS)

Jethmalani, C. H. Ram; Dumpa, Poornima; Simon, Sishaj P.; Sundareswaran, K.

2016-04-01

This paper analyzes the performance of A-loss coefficients while evaluating transmission losses in a Dynamic Economic Dispatch (DED) Problem. The performance analysis is carried out by comparing the losses computed using nominal A loss coefficients and nominal B loss coefficients in reference with load flow solution obtained by standard Newton-Raphson (NR) method. Density based clustering method based on connected regions with sufficiently high density (DBSCAN) is employed in identifying the best regions of A and B loss coefficients. Based on the results obtained through cluster analysis, a novel approach in improving the accuracy of network loss calculation is proposed. Here, based on the change in per unit load values between the load intervals, loss coefficients are updated for calculating the transmission losses. The proposed algorithm is tested and validated on IEEE 6 bus system, IEEE 14 bus, system IEEE 30 bus system and IEEE 118 bus system. All simulations are carried out using SCILAB 5.4 (www.scilab.org) which is an open source software.

The Physical Significance of the Synthetic Running Correlation Coefficient and Its Applications in Oceanic and Atmospheric Studies

NASA Astrophysics Data System (ADS)

Zhao, Jinping; Cao, Yong; Wang, Xin

2018-06-01

In order to study the temporal variations of correlations between two time series, a running correlation coefficient (RCC) could be used. An RCC is calculated for a given time window, and the window is then moved sequentially through time. The current calculation method for RCCs is based on the general definition of the Pearson product-moment correlation coefficient, calculated with the data within the time window, which we call the local running correlation coefficient (LRCC). The LRCC is calculated via the two anomalies corresponding to the two local means, meanwhile, the local means also vary. It is cleared up that the LRCC reflects only the correlation between the two anomalies within the time window but fails to exhibit the contributions of the two varying means. To address this problem, two unchanged means obtained from all available data are adopted to calculate an RCC, which is called the synthetic running correlation coefficient (SRCC). When the anomaly variations are dominant, the two RCCs are similar. However, when the variations of the means are dominant, the difference between the two RCCs becomes obvious. The SRCC reflects the correlations of both the anomaly variations and the variations of the means. Therefore, the SRCCs from different time points are intercomparable. A criterion for the superiority of the RCC algorithm is that the average value of the RCC should be close to the global correlation coefficient calculated using all data. The SRCC always meets this criterion, while the LRCC sometimes fails. Therefore, the SRCC is better than the LRCC for running correlations. We suggest using the SRCC to calculate the RCCs.

Efficient computation of kinship and identity coefficients on large pedigrees.

PubMed

Cheng, En; Elliott, Brendan; Ozsoyoglu, Z Meral

2009-06-01

With the rapidly expanding field of medical genetics and genetic counseling, genealogy information is becoming increasingly abundant. An important computation on pedigree data is the calculation of identity coefficients, which provide a complete description of the degree of relatedness of a pair of individuals. The areas of application of identity coefficients are numerous and diverse, from genetic counseling to disease tracking, and thus, the computation of identity coefficients merits special attention. However, the computation of identity coefficients is not done directly, but rather as the final step after computing a set of generalized kinship coefficients. In this paper, we first propose a novel Path-Counting Formula for calculating generalized kinship coefficients, which is motivated by Wright's path-counting method for computing inbreeding coefficient. We then present an efficient and scalable scheme for calculating generalized kinship coefficients on large pedigrees using NodeCodes, a special encoding scheme for expediting the evaluation of queries on pedigree graph structures. Furthermore, we propose an improved scheme using Family NodeCodes for the computation of generalized kinship coefficients, which is motivated by the significant improvement of using Family NodeCodes for inbreeding coefficient over the use of NodeCodes. We also perform experiments for evaluating the efficiency of our method, and compare it with the performance of the traditional recursive algorithm for three individuals. Experimental results demonstrate that the resulting scheme is more scalable and efficient than the traditional recursive methods for computing generalized kinship coefficients.

Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

NASA Astrophysics Data System (ADS)

Petrova, T. M.; Solodov, A. M.; Solodov, A. A.; Deichuli, V. M.; Starikov, V. I.

2018-05-01

The water vapour line broadening and shifting for 97 lines in the ν1 + ν2 + ν3 band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm-1 and in a wide pressure range of H2. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν2, ν1, and ν3 vibrational bands are presented.

Transport coefficients in nonequilibrium gas-mixture flows with electronic excitation.

PubMed

Kustova, E V; Puzyreva, L A

2009-10-01

In the present paper, a one-temperature model of transport properties in chemically nonequilibrium neutral gas-mixture flows with electronic excitation is developed. The closed set of governing equations for the macroscopic parameters taking into account electronic degrees of freedom of both molecules and atoms is derived using the generalized Chapman-Enskog method. The transport algorithms for the calculation of the thermal-conductivity, diffusion, and viscosity coefficients are proposed. The developed theoretical model is applied for the calculation of the transport coefficients in the electronically excited N/N(2) mixture. The specific heats and transport coefficients are calculated in the temperature range 50-50,000 K. Two sets of data for the collision integrals are applied for the calculations. An important contribution of the excited electronic states to the heat transfer is shown. The Prandtl number of atomic species is found to be substantially nonconstant.

The calculation of mass attenuation coefficients of well-known thermoluminescent dosimetric compounds at wide energy range

NASA Astrophysics Data System (ADS)

Ermis, Elif Ebru

2017-02-01

The photon mass attenuation coefficients of LiF, BaSO4, CaCO3 and CaSO4 thermoluminescent dosimetric compounds at 100; 300; 500; 600; 800; 1,000; 1,500; 2,000; 3,000 and 5,000 keV gamma-ray energies were calculated. For this purpose, FLUKA Monte Carlo (MC) program which is one of the well-known MC codes was used in this study. Furthermore, obtained results were analyzed by means of ROOT program. National Institute of Standards and Technology (NIST) values were also used to compare the obtained theoretical values because the mass attenuation values of the used compounds could not found in the literature. Calculated mass attenuation coefficients were highly in accordance with the NIST values. As a consequence, FLUKA was successful in calculating the mass attenuation coefficients of the most used thermoluminescent compound.

Neutron dosimetry in organs of an adult human phantom using linacs with multileaf collimator in radiotherapy treatments

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

Martinez-Ovalle, S. A.; Barquero, R.; Gomez-Ros, J. M.

Purpose: To calculate absorbed doses due to neutrons in 87 organs/tissues for anthropomorphic phantoms, irradiated in position supine (head first into the gantry) with orientations anteroposterior (AP) and right-left (RLAT) with a 18 MV accelerator. Conversion factors from monitor units to {mu}Gy per neutron in organs, equivalent doses in organs/tissues, and effective doses, which permit to quantify stochastic risks, are estimated. Methods: MAX06 and FAX06 phantoms were modeled with MCNPX and irradiated with a 18 MV Varian Clinac 2100C/D accelerator whose geometry included a multileaf collimator. Two actual fields of a pelvic treatment were simulated using electron-photon-neutron coupled transport. Absorbedmore » doses due to neutrons were estimated from kerma. Equivalent doses were estimated using the radiation weighting factor corresponding to an average incident neutron energy 0.47 MeV. Statistical uncertainties associated to absorbed doses, as calculated by MCNPX, were also obtained. Results: Largest doses were absorbed in shallowest (with respect to the neutron pathway) organs. In {mu}GyMU{sup -1}, values of 2.66 (for penis) and 2.33 (for testes) were found in MAX06, and 1.68 (for breasts), 1.05 (for lenses of eyes), and 0.94 (for sublingual salivary glands) in FAX06, in AP orientation. In RLAT, the largest doses were found for bone tissues (leg) just at the entrance of the beam in the body (right side in our case). Values, in {mu}GyMU{sup -1}, of 1.09 in upper leg bone right spongiosa, for MAX06, and 0.63 in mandible spongiosa, for FAX06, were found. Except for gonads, liver, and stomach wall, equivalent doses found for FAX06 were, in both orientations, higher than for MAX06. Equivalent doses in AP are higher than in RLAT for all organs/tissues other than brain and liver. Effective doses of 12.6 and 4.1 {mu}SvMU{sup -1} were found for AP and RLAT, respectively. The organs/tissues with larger relative contributions to the effective dose were testes and breasts, in AP, and breasts and red marrow, in RLAT. Equivalent and effective doses obtained for MAX06/FAX06 were smaller (between 2 and 20 times) than those quoted for the mathematical phantoms ADAM/EVA in ICRP-74. Conclusions: The new calculations of conversion coefficients for neutron irradiation in AP and RLAT irradiation geometries show a reduction in the values of effective dose by factors 7 (AP) and 6 (RLAT) with respect to the old data obtained with mathematical phantoms. The existence of tissues or anatomical regions with maximum absorbed doses, such as penis, lens of eyes, fascia (part of connective tissue), etc., organs/tissues that classic mathematical phantoms did not include because they were not considered for the study of stochastic effects, has been revealed. Absorbed doses due to photons, obtained following the same simulation methodology, are larger than those due to neutrons, reaching values 100 times larger as the primary beam is approached. However, for organs far from the treated volume, absorbed photon doses can be up to three times smaller than neutron ones. Calculations using voxel phantoms permitted to know the organ dose conversion coefficients per MU due to secondary neutrons in the complete anatomy of a patient.« less

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling.

PubMed

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C; Joyce, Kevin P; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing ([Formula: see text] for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining [Formula: see text] compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to [Formula: see text]. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple [Formula: see text] correction improved agreement with experiment from [Formula: see text] to [Formula: see text], despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

Coefficients of productivity for Yellowstone's grizzly bear habitat

USGS Publications Warehouse

Mattson, David John; Barber, Kim; Maw, Ralene; Renkin, Roy

2004-01-01

This report describes methods for calculating coefficients used to depict habitat productivity for grizzly bears in the Yellowstone ecosystem. Calculations based on these coefficients are used in the Yellowstone Grizzly Bear Cumulative Effects Model to map the distribution of habitat productivity and account for the impacts of human facilities. The coefficients of habitat productivity incorporate detailed information that was collected over a 20-year period (1977-96) on the foraging behavior of Yellowstone's bears and include records of what bears were feeding on, when and where they fed, the extent of that feeding activity, and relative measures of the quantity consumed. The coefficients also incorporate information, collected primarily from 1986 to 1992, on the nutrient content of foods that were consumed, their digestibility, characteristic bite sizes, and the energy required to extract and handle each food. Coefficients were calculated for different time periods and different habitat types, specific to different parts of the Yellowstone ecosystem. Stratifications included four seasons of bear activity (spring, estrus, early hyperphagia, late hyperphagia), years when ungulate carrion and whitebark pine seed crops were abundant versus not, areas adjacent to (< 100 m) or far away from forest/nonforest edges, and areas inside or outside of ungulate winter ranges. Densities of bear activity in each region, habitat type, and time period were incorporated into calculations, controlling for the effects of proximity to human facilities. The coefficients described in this report and associated estimates of grizzly bear habitat productivity are unique among many efforts to model the conditions of bear habitat because calculations include information on energetics derived from the observed behavior of radio-marked bears.

SAMPL5: 3D-RISM partition coefficient calculations with partial molar volume corrections and solute conformational sampling

NASA Astrophysics Data System (ADS)

Luchko, Tyler; Blinov, Nikolay; Limon, Garrett C.; Joyce, Kevin P.; Kovalenko, Andriy

2016-11-01

Implicit solvent methods for classical molecular modeling are frequently used to provide fast, physics-based hydration free energies of macromolecules. Less commonly considered is the transferability of these methods to other solvents. The Statistical Assessment of Modeling of Proteins and Ligands 5 (SAMPL5) distribution coefficient dataset and the accompanying explicit solvent partition coefficient reference calculations provide a direct test of solvent model transferability. Here we use the 3D reference interaction site model (3D-RISM) statistical-mechanical solvation theory, with a well tested water model and a new united atom cyclohexane model, to calculate partition coefficients for the SAMPL5 dataset. The cyclohexane model performed well in training and testing (R=0.98 for amino acid neutral side chain analogues) but only if a parameterized solvation free energy correction was used. In contrast, the same protocol, using single solute conformations, performed poorly on the SAMPL5 dataset, obtaining R=0.73 compared to the reference partition coefficients, likely due to the much larger solute sizes. Including solute conformational sampling through molecular dynamics coupled with 3D-RISM (MD/3D-RISM) improved agreement with the reference calculation to R=0.93. Since our initial calculations only considered partition coefficients and not distribution coefficients, solute sampling provided little benefit comparing against experiment, where ionized and tautomer states are more important. Applying a simple pK_{ {a}} correction improved agreement with experiment from R=0.54 to R=0.66, despite a small number of outliers. Better agreement is possible by accounting for tautomers and improving the ionization correction.

Neutronic safety parameters and transient analyses for Poland's MARIA research reactor.

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

Bretscher, M. M.; Hanan, N. A.; Matos, J. E.

1999-09-27

Reactor kinetic parameters, reactivity feedback coefficients, and control rod reactivity worths have been calculated for the MARIA Research Reactor (Swierk, Poland) for M6-type fuel assemblies with {sup 235}U enrichments of 80% and 19.7%. Kinetic parameters were evaluated for family-dependent effective delayed neutron fractions, decay constants, and prompt neutron lifetimes and neutron generation times. Reactivity feedback coefficients were determined for fuel Doppler coefficients, coolant (H{sub 2}O) void and temperature coefficients, and for in-core and ex-core beryllium temperature coefficients. Total and differential control rod worths and safety rod worths were calculated for each fuel type. These parameters were used to calculate genericmore » transients for fast and slow reactivity insertions with both HEU and LEU fuels. The analyses show that the HEU and LEU cores have very similar responses to these transients.« less

Computation of thermodynamic and transport properties to predict thermophoretic effects in an argon-krypton mixture

NASA Astrophysics Data System (ADS)

Miller, Nicholas A. T.; Daivis, Peter J.; Snook, Ian K.; Todd, B. D.

2013-10-01

Thermophoresis is the movement of molecules caused by a temperature gradient. Here we report the results of a study of thermophoresis using non-equilibrium molecular dynamics simulations of a confined argon-krypton fluid subject to two different temperatures at thermostated walls. The resulting temperature profile between the walls is used along with the Soret coefficient to predict the concentration profile that develops across the channel. We obtain the Soret coefficient by calculating the mutual diffusion and thermal diffusion coefficients. We report an appropriate method for calculating the transport coefficients for binary systems, using the Green-Kubo integrals and radial distribution functions obtained from equilibrium molecular dynamics simulations of the bulk fluid. Our method has the unique advantage of separating the mutual diffusion and thermal diffusion coefficients, and calculating the sign and magnitude of their individual contributions to thermophoresis in binary mixtures.

An economic prediction of the finer resolution level wavelet coefficients in electronic structure calculations.

PubMed

Nagy, Szilvia; Pipek, János

2015-12-21

In wavelet based electronic structure calculations, introducing a new, finer resolution level is usually an expensive task, this is why often a two-level approximation is used with very fine starting resolution level. This process results in large matrices to calculate with and a large number of coefficients to be stored. In our previous work we have developed an adaptively refined solution scheme that determines the indices, where the refined basis functions are to be included, and later a method for predicting the next, finer resolution coefficients in a very economic way. In the present contribution, we would like to determine whether the method can be applied for predicting not only the first, but also the other, higher resolution level coefficients. Also the energy expectation values of the predicted wave functions are studied, as well as the scaling behaviour of the coefficients in the fine resolution limit.

Rapid evaluation for dielectronic recombination rate coefficients of the H-like isoelectronic sequence.

NASA Astrophysics Data System (ADS)

Teng, H.; Xu, Z.

1996-09-01

The authors present a set of accurate formulae for the rapid calculation of dielectronic recombination rate coefficients of H-like ions from Ne (Z = 10) to Ni (Z = 29) with an electron temperature range from 0.6 to 10 keV. This set of formulae are obtained by fitting directly the dielectronic recombination rate coefficients calculated on the basis of the intermediate - coupling multi - configuration Hartree-Fock model made by Karim and Bhalla (1988). The dielectronic recombination rate coefficients from these formulae are in close agreement with the original results of Karim et al. The errors are generally less than 0.1%. The results are also compared with the ones obtained by a set of new rate formulae developed by Hahn. These formulae can be used for generating dielectronic recombination rate coefficients of some H-like ions where the explicit calculations are unavailable. The detailed results are tabulated and discussed.

A generalized theory for eccentric and misalignment effects in high-pressure annular seals

NASA Technical Reports Server (NTRS)

Chen, W. C.; Jackson, E. D.

1986-01-01

High-pressure annular seal leakage and dynamic coefficients vary with eccentricity and misalignment. Recent seal leakage data with both concentric and fully eccentric alignments support the seal leakage model with surface roughness and eccentricity effects included. In this paper, the seal dynamic coefficient calculation has been generalized and allows direct calculation of the seal dynamic coefficients at any circumferential location. The generalized solution agrees with the results obtained by using the calculated values of an earlier paper and performing a coordinate transformation. The analysis results coincide with the measured data in showing that the stiffness and damping matrices of seal coefficients are not skew symmetric, and the main diagonal seal coefficients are not equal. The measured direct stiffnesses were found higher than predicted by the concentric seal theory, but this may be explained by the presence of eccentricity in the test operating mode.

DIFF--A 7090 Fortran Program to Determine Neutron Diffusion Constants Relating to a Six-Group Calculation; DIFF--UN PROGRAMME FOR TRAN 7090 POUR DETERMINER LES CONSTANTES DE DIFFUSION NEUTRONIQUE RELATIVES A UN CALCUL A SIX GROUPES

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

Plelnevaux, C.

The computer program DIFF, in Fortran for the IBM 7090, for calculating the neutron diffusion coefficients and attenuation areas (L/sup 2/) necessary for multigroup diffusion calculations for reactor shielding is described. Diffusion coefficients and values of the inverse attenuation length are given for a six group calculation for several interesting shielding materials. (D.C.W.)

Absorption coefficients of silicon: A theoretical treatment

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

Banded Structures in Electron Pitch Angle Diffusion Coefficients from Resonant Wave Particle Interactions

NASA Technical Reports Server (NTRS)

Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

2016-01-01

Electron pitch angle (D (alpha)) and momentum (D(pp)) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies 10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = +/-1, +/-2,...+/-5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (alpha) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D alpha and Dpp coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The Dpp diffusion coefficient for ECH waves is one to two orders smaller than D alpha coefficients. For chorus waves, Dpp coefficients are about an order of magnitude smaller than D alpha coefficients for the case n does not = 0. In case of Landau resonance, the values of Dpp coefficient are generally larger than the values of D alpha coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89 deg and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10 deg and Landau resonance. Further, in ECH waves, the banded structures appear for electron energies (is) greater than1 keV, and for whistler mode chorus waves, structures appear for energies greater than 2 keV at L = 4.6 and above 200 eV for L = 6.8. The results obtained in the present work will be helpful in the study of diffusion curves and will have important consequences for diffuse aurora and pancake distributions.

Banded Structures in Electron Pitch Angle Diffusion Coefficients from Resonant Wave-Particle Interactions

NASA Technical Reports Server (NTRS)

Tripathi, A. K.; Singhal, R. P.; Khazanov, G. V.; Avanov, L. A.

2016-01-01

Electron pitch angle (D(sub (alpha alpha))) and momentum (D(sub pp)) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L=4.6 and 6.8 for electron energies less than or equal to 10 keV. Landau (n=0) resonance and cyclotron harmonic resonances n= +/- 1, +/-2, ... +/-5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (alpha) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusion coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n=+1 and n=+2. A major contribution to momentum diffusion coefficients appears from n=+2. However, the banded structures in D(sub alpha alpha) and D(sub pp) coefficients appear only in the profile of diffusion coefficients for n=+2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The D(sub pp) diffusion coefficient for ECH waves is one to two orders smaller than D(sub alpha alpha) coefficients. For chorus waves, D(sub pp) coefficients are about an order of magnitude smaller than D(sub alpha alpha) coefficients for the case n does not equal 0. In case of Landau resonance, the values of D(sub pp) coefficient are generally larger than the values of D(sub alpha alpha) coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89 deg and harmonic resonances n= +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10 deg and Landau resonance. Further, in ECH waves, the banded structures appear for electron energies 1 greater than or equal to keV, and for whistler mode chorus waves, structures appear for energies greater than 2 keV at L=4.6 and above 200 eV for L=6.8. The results obtained in the present work will be helpful in the study of diffusion curves and will have important consequences for diffuse aurora and pancake distributions.

Determination of the conversion gain and the accuracy of its measurement for detector elements and arrays

NASA Astrophysics Data System (ADS)

Beecken, B. P.; Fossum, E. R.

1996-07-01

Standard statistical theory is used to calculate how the accuracy of a conversion-gain measurement depends on the number of samples. During the development of a theoretical basis for this calculation, a model is developed that predicts how the noise levels from different elements of an ideal detector array are distributed. The model can also be used to determine what dependence the accuracy of measured noise has on the size of the sample. These features have been confirmed by experiment, thus enhancing the credibility of the method for calculating the uncertainty of a measured conversion gain. detector-array uniformity, charge coupled device, active pixel sensor.

Ultrasensitive electrochemical cocaine biosensor based on reversible DNA nanostructure.

PubMed

Sheng, Qinglin; Liu, Ruixiao; Zhang, Sai; Zheng, Jianbin

2014-01-15

We proposed an ultrasensitive electrochemical cocaine biosensor based on the three-dimensional (3D) DNA structure conversion of nanostructure from Triangular Pyramid Frustum (TPFDNA) to Equilateral Triangle (ETDNA). The presence of cocaine triggered the aptamer-composed DNA nanostructure change from "Close" to "Open", leading to obvious faradaic impedance changes. The unique properties with excellent stability and specific rigid structure of the 3D DNA nanostructure made the biosensing functions stable, sensitive, and regenerable. The Faradaic impedance responses were linearly related to cocaine concentration between 1.0 nM and 2.0 μM with a correlation coefficient of 0.993. The limit of detection was calculated to be 0.21 nM following IUPAC recommendations (3Sb/b). It is expected that the distinctive features of DNA nanostructure would make it potentially advantageous for a broad range of biosensing, bionanoelectronics, and therapeutic applications. Copyright © 2013 Elsevier B.V. All rights reserved.

Cattaneo-Christov double-diffusion theory for three-dimensional flow of viscoelastic nanofluid with the effect of heat generation/absorption

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Qayyum, Sajid; Shehzad, Sabir Ali; Alsaedi, Ahmed

2018-03-01

The present research article focuses on three-dimensional flow of viscoelastic(second grade) nanofluid in the presence of Cattaneo-Christov double-diffusion theory. Flow caused is due to stretching sheet. Characteristics of heat transfer are interpreted by considering the heat generation/absorption. Nanofluid theory comprises of Brownian motion and thermophoresis. Cattaneo-Christov double-diffusion theory is introduced in the energy and concentration expressions. Such diffusions are developed as a part of formulating the thermal and solutal relaxation times framework. Suitable variables are implemented for the conversion of partial differential systems into a sets of ordinary differential equations. The transformed expressions have been explored through homotopic algorithm. Behavior of sundry variables on the velocities, temperature and concentration are scrutinized graphically. Numerical values of skin friction coefficients are also calculated and examined. Here thermal field enhances for heat generation parameter while reverse situation is noticed for heat absorption parameter.

Synthesis and characterization of (Sn,Zn)O alloys

DOE PAGES

Bikowski, Andre; Holder, Aaron; Peng, Haowei; ...

2016-09-29

SnO exhibits electrical properties that render it promising for solar energy conversion applications, but it also has a strongly indirect band gap. Recent theoretical calculations predict that this disadvantage can be mitigated by isovalent alloying with other group-II oxides such as ZnO. Here, we synthesized new metastable isovalent (Sn,Zn)O alloy thin films by combinatorial reactive co-sputtering and characterized their structural, optical and electrical properties. The alloying of ZnO into SnO leads to a change of the valence state of the tin from Sn 0 via Sn 2+ to Sn 4+, which can be counteracted by reducing the oxygen partial pressuremore » during the deposition. The optical characterization of the smooth <10 at. % Sn 1-xZn xO thin films showed an increase in the absorption coefficient in the range from 1 to 2 eV, which is consistent with the theoretical predictions for the isovalent alloying. However, the experimentally observed alloying effect may be convoluted with the effect of local variations of the Sn oxidation state. As a result, this effect would have to be minimized to improve the (Sn,Zn)O optical and electrical properties for their use as absorbers in solar energy conversion applications.« less

LakeMetabolizer: An R package for estimating lake metabolism from free-water oxygen using diverse statistical models

USGS Publications Warehouse

Winslow, Luke; Zwart, Jacob A.; Batt, Ryan D.; Dugan, Hilary; Woolway, R. Iestyn; Corman, Jessica; Hanson, Paul C.; Read, Jordan S.

2016-01-01

Metabolism is a fundamental process in ecosystems that crosses multiple scales of organization from individual organisms to whole ecosystems. To improve sharing and reuse of published metabolism models, we developed LakeMetabolizer, an R package for estimating lake metabolism from in situ time series of dissolved oxygen, water temperature, and, optionally, additional environmental variables. LakeMetabolizer implements 5 different metabolism models with diverse statistical underpinnings: bookkeeping, ordinary least squares, maximum likelihood, Kalman filter, and Bayesian. Each of these 5 metabolism models can be combined with 1 of 7 models for computing the coefficient of gas exchange across the air–water interface (k). LakeMetabolizer also features a variety of supporting functions that compute conversions and implement calculations commonly applied to raw data prior to estimating metabolism (e.g., oxygen saturation and optical conversion models). These tools have been organized into an R package that contains example data, example use-cases, and function documentation. The release package version is available on the Comprehensive R Archive Network (CRAN), and the full open-source GPL-licensed code is freely available for examination and extension online. With this unified, open-source, and freely available package, we hope to improve access and facilitate the application of metabolism in studies and management of lentic ecosystems.

Quantification of pleural effusion on CT by simple measurement.

PubMed

Hazlinger, Martin; Ctvrtlik, Filip; Langova, Katerina; Herman, Miroslav

2014-01-01

To find the simplest method for quantifying pleural effusion volume from CT scans. Seventy pleural effusions found on chest CT examination in 50 consecutive adult patients with the presence of free pleural effusion were included. The volume of pleural effusion was calculated from a three-dimensional reconstruction of CT scans. Planar measurements were made on CT scans and their two-dimensional reconstructions in the sagittal plane and at three levels on transversal scans. Individual planar measurements were statistically compared with the detected volume of pleural effusion. Regression equations, averaged absolute difference between observed and predicted values and determination coefficients were found for all measurements and their combinations. A tabular expression of the best single planar measurement was created. The most accurate correlation between the volume and a single planar measurement was found in the dimension measured perpendicular to the parietal pleura on transversal scan with the greatest depth of effusion. Conversion of this measurement to the appropriate volume is possible by regression equation: Volume = 0.365 × b(3) - 4.529 × b(2) + 159.723 × b - 88.377. We devised a simple method of conversion of a single planar measurement on CT scan to the volume of pleural effusion. The tabular expression of our equation can be easily and effectively used in routine practice.

Kinetic studies on hydrolysis of urea in a semi-batch reactor at atmospheric pressure for safe use of ammonia in a power plant for flue gas conditioning.

PubMed

Mahalik, K; Sahu, J N; Patwardhan, Anand V; Meikap, B C

2010-03-15

With growing industrialization in power sector, air is being polluted with a host of substances-most conspicuously with suspended particulate matter emanating from coal-fired thermal power plants. Flue gas conditioning, especially in such power plants, requires in situ generation of ammonia. In the present paper, experiments for kinetic study of hydrolysis of urea have been conducted using a borosil glass reactor, first without stirring followed by with stirring. The study reveals that conversion increases exponentially with an increase in temperature and feed concentration. Furthermore, the effect of stirring speed, temperature and concentration on conversion has been studied. Using collision theory, temperature dependency of forward rate constant has been developed from which activation energy of the reaction and the frequency factors have been calculated. It has been observed that the forward rate constant increases with an increase in temperature. The activation energy and frequency factor with stirring has been found to be 59.85 kJ/mol and 3.9 x 10(6)min(-1) respectively with correlation co-efficient and standard deviation being 0.98% and +/-0.1% in that order. (c) 2009 Elsevier B.V. All rights reserved.

Horizontal mixing coefficients for two-dimensional chemical models calculated from National Meteorological Center Data

NASA Technical Reports Server (NTRS)

Newman, P. A.; Schoeberl, M. R.; Plumb, R. A.

1986-01-01

Calculations of the two-dimensional, species-independent mixing coefficients for two-dimensional chemical models for the troposphere and stratosphere are performed using quasi-geostrophic potential vorticity fluxes and gradients from 4 years of National Meteorological Center data for the four seasons in both hemispheres. Results show that the horizontal mixing coefficient values for the winter lower stratosphere are broadly consistent with those currently employed in two-dimensional models, but the horizontal mixing coefficient values in the northern winter upper stratosphere are much larger than those usually used.

Shear Viscosity Coefficient of 5d Liquid Transition Metals

NASA Astrophysics Data System (ADS)

Thakor, P. B.; Sonvane, Y. A.; Gajjar, P. N.; Jani, A. R.

2011-07-01

In the present paper we have calculated shear viscosity coefficient (η) of 5 d liquid transition metals. To calculate effective pair potential ν(r) and pair distribution function g(r) we have used our own newly constructed model potential and Percus- Yevick hard sphere (PYHS) structure factor S(q) respectively. We have also investigated the effect of different correction function like Hartree (H), Taylor (T) and Sarkar et al. (S) on shear viscosity coefficient (η). Our newly constructed model potential successfully explains the shear viscosity coefficient (η) of 5 d liquid transition metals.

Boundary layer measurements of the OH radical in the vicinity of an isolated power plant plume - SO2 and NO2 chemical conversion times

NASA Technical Reports Server (NTRS)

Davis, D. D.; Philen, D.; Mcgee, T.; Heaps, W.

1979-01-01

Direct measurements of the OH radical in the vicinity of an isolated power plant plume are reported. These measurements were used to estimate the conversion time of SO2 to H2SO4-sulfate aerosol via the initiating step OH + SO2 + M yields HSO3. Using the near-high-noon measured value of OH (9.5 million per cu cm), resulted in a 1/e conversion time of 1.4 days. The latter lifetime would correspond to a conversion rate of about 2%/hr. When the lifetime calculation was modified to take into consideration the OH diurnal cycle, the 1/e conversion time for SO2 was found to be 4.4 days, giving an apparent overall rate of conversion of about 0.7%/hr. Similar calculations carried out for the conversion of NO2 to NHO3 resulted in 1/e lifetimes for NO2 of 2-3 h for midday time periods.

Metabolic control analysis using transient metabolite concentrations. Determination of metabolite concentration control coefficients.

PubMed Central

Delgado, J; Liao, J C

1992-01-01

The methodology previously developed for determining the Flux Control Coefficients [Delgado & Liao (1992) Biochem. J. 282, 919-927] is extended to the calculation of metabolite Concentration Control Coefficients. It is shown that the transient metabolite concentrations are related by a few algebraic equations, attributed to mass balance, stoichiometric constraints, quasi-equilibrium or quasi-steady states, and kinetic regulations. The coefficients in these relations can be estimated using linear regression, and can be used to calculate the Control Coefficients. The theoretical basis and two examples are discussed. Although the methodology is derived based on the linear approximation of enzyme kinetics, it yields reasonably good estimates of the Control Coefficients for systems with non-linear kinetics. PMID:1497632

Enhanced converse magnetoelectric effect in cylindrical piezoelectric-magnetostrictive composites

NASA Astrophysics Data System (ADS)

Wu, Gaojian; Zhang, Ru; Zhang, Ning

2016-10-01

Enhanced converse magnetoelectric (ME) effect has been experimentally observed in cylindrical PZT-Terfenol-D piezoelectric-magnetostrictive bilayered composites, where the piezoelectric and magnetostrictive components are coupled through normal stresses instead of shear stresses that act in most of previous multiferroic composites. A theoretical model based on elastodynamics analysis has been proposed to describe the frequency response of converse ME effect for axial and radial modes in the bilayered cylindrical composites. The theory shows good agreement with the experimental results. The different variation tendency of resonant converse ME coefficient, as well as different variation rate of resonance frequency with bias magnetic field for axial and radial modes is interpreted in terms of demagnetizing effect. This work is of theoretical and technological significance for the application of converse ME effect as magnetic sensor, transducers, coil-free flux switch, etc.

40 CFR 51.301 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... impairment. A deciview is a haze index derived from calculated light extinction, such that uniform changes in... (for the purposes of calculating deciview, the atmospheric light extinction coefficient must be... light extinction coefficient, expressed in inverse megameters (Mm−1). Existing stationary facility means...

40 CFR 51.301 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... impairment. A deciview is a haze index derived from calculated light extinction, such that uniform changes in... (for the purposes of calculating deciview, the atmospheric light extinction coefficient must be... light extinction coefficient, expressed in inverse megameters (Mm−1). Existing stationary facility means...

40 CFR 51.301 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... impairment. A deciview is a haze index derived from calculated light extinction, such that uniform changes in... (for the purposes of calculating deciview, the atmospheric light extinction coefficient must be... light extinction coefficient, expressed in inverse megameters (Mm−1). Existing stationary facility means...

40 CFR 51.301 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... impairment. A deciview is a haze index derived from calculated light extinction, such that uniform changes in... (for the purposes of calculating deciview, the atmospheric light extinction coefficient must be... light extinction coefficient, expressed in inverse megameters (Mm−1). Existing stationary facility means...

A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines

USGS Publications Warehouse

Plummer, Niel; Parkhurst, D.L.; Fleming, G.W.; Dunkle, S.A.

1988-01-01

The program named PHRQPITZ is a computer code capable of making geochemical calculations in brines and other electrolyte solutions to high concentrations using the Pitzer virial-coefficient approach for activity-coefficient corrections. Reaction-modeling capabilities include calculation of (1) aqueous speciation and mineral-saturation index, (2) mineral solubility, (3) mixing and titration of aqueous solutions, (4) irreversible reactions and mineral water mass transfer, and (5) reaction path. The computed results for each aqueous solution include the osmotic coefficient, water activity , mineral saturation indices, mean activity coefficients, total activity coefficients, and scale-dependent values of pH, individual-ion activities and individual-ion activity coeffients , and scale-dependent values of pH, individual-ion activities and individual-ion activity coefficients. A data base of Pitzer interaction parameters is provided at 25 C for the system: Na-K-Mg-Ca-H-Cl-SO4-OH-HCO3-CO3-CO2-H2O, and extended to include largely untested literature data for Fe(II), Mn(II), Sr, Ba, Li, and Br with provision for calculations at temperatures other than 25C. An extensive literature review of published Pitzer interaction parameters for many inorganic salts is given. Also described is an interactive input code for PHRQPITZ called PITZINPT. (USGS)

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

PubMed Central

Zhong, Kehua; Yang, Yanmin; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao

2017-01-01

The Li+ diffusion coefficients in Li+-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence on lithium diffusion. Based on energy barriers directly obtained from first-principle calculations for single-Li+ and two-Li+ adsorbed systems, a new equation predicting energy barriers with more than two Li ions was deduced. Furthermore, it is found that the temperature dependence of Li+ diffusion coefficients fits well to the Arrhenius equation, rather than meeting the equation from electrochemical impedance spectroscopy applied to estimate experimental diffusion coefficients. Moreover, the calculated results also reveal that Li+ concentration dependence of diffusion coefficients roughly fits to the equation from electrochemical impedance spectroscopy in a low concentration region; however, it seriously deviates from the equation in a high concentration region. So, the equation from electrochemical impedance spectroscopy technique could not be simply used to estimate the Li+ diffusion coefficient for all Li+-adsorbed graphene systems with various Li+ concentrations. Our work suggests that interactions between Li ions, and among Li ion and host atoms will influence the Li+ diffusion, which determines that the Li+ intercalation dependence of Li+ diffusion coefficient should be changed and complex. PMID:28773122

Development of a generalized perturbation theory method for sensitivity analysis using continuous-energy Monte Carlo methods

DOE PAGES

Perfetti, Christopher M.; Rearden, Bradley T.

2016-03-01

The sensitivity and uncertainty analysis tools of the ORNL SCALE nuclear modeling and simulation code system that have been developed over the last decade have proven indispensable for numerous application and design studies for nuclear criticality safety and reactor physics. SCALE contains tools for analyzing the uncertainty in the eigenvalue of critical systems, but cannot quantify uncertainty in important neutronic parameters such as multigroup cross sections, fuel fission rates, activation rates, and neutron fluence rates with realistic three-dimensional Monte Carlo simulations. A more complete understanding of the sources of uncertainty in these design-limiting parameters could lead to improvements in processmore » optimization, reactor safety, and help inform regulators when setting operational safety margins. A novel approach for calculating eigenvalue sensitivity coefficients, known as the CLUTCH method, was recently explored as academic research and has been found to accurately and rapidly calculate sensitivity coefficients in criticality safety applications. The work presented here describes a new method, known as the GEAR-MC method, which extends the CLUTCH theory for calculating eigenvalue sensitivity coefficients to enable sensitivity coefficient calculations and uncertainty analysis for a generalized set of neutronic responses using high-fidelity continuous-energy Monte Carlo calculations. Here, several criticality safety systems were examined to demonstrate proof of principle for the GEAR-MC method, and GEAR-MC was seen to produce response sensitivity coefficients that agreed well with reference direct perturbation sensitivity coefficients.« less

Rapid Acute Dose Assessment Using MCNP6

NASA Astrophysics Data System (ADS)

Owens, Andrew Steven

Acute radiation doses due to physical contact with a high-activity radioactive source have proven to be an occupational hazard. Multiple radiation injuries have been reported due to manipulating a radioactive source with bare hands or by placing a radioactive source inside a shirt or pants pocket. An effort to reconstruct the radiation dose must be performed to properly assess and medically manage the potential biological effects from such doses. Using the reference computational phantoms defined by the International Commission on Radiological Protection (ICRP) and the Monte Carlo N-Particle transport code (MCNP6), dose rate coefficients are calculated to assess doses for common acute doses due to beta and photon radiation sources. The research investigates doses due to having a radioactive source in either a breast pocket or pants back pocket. The dose rate coefficients are calculated for discrete energies and can be used to interpolate for any given energy of photon or beta emission. The dose rate coefficients allow for quick calculation of whole-body dose, organ dose, and/or skin dose if the source, activity, and time of exposure are known. Doses are calculated with the dose rate coefficients and compared to results from the International Atomic Energy Agency (IAEA) reports from accidents that occurred in Gilan, Iran and Yanango, Peru. Skin and organ doses calculated with the dose rate coefficients appear to agree, but there is a large discrepancy when comparing whole-body doses assessed using biodosimetry and whole-body doses assessed using the dose rate coefficients.

Physicochemical application of capillary chromatography

NASA Astrophysics Data System (ADS)

Vasil'ev, A. V.; Aleksandrov, E. N.

1992-04-01

The application of capillary gas chromatography in the determination of the free energy, enthalpy, and entropy of sorption, the saturated vapour pressure and activity coefficients, the assessment of the lipophilicity of volatile compounds, and the study of the properties of polymers and liquid crystals is described. The use of reaction cappillary chromatography in kinetic studies of conformational conversions, thermal degradation, and photochemical reactions is examined. Studies on the use of capillary columns for determination of the second virial coefficients and viscosity of gases and the diffusion coefficients in gases, liquids, supercritical fluids, and polymers are analysed. The bibliography includes 114 references.

Organ and effective dose rate coefficients for submersion exposure in occupational settings

DOE PAGES

Veinot, K. G.; Y-12 National Security Complex, Oak Ridge, TN; Dewji, S. A.; ...

2017-08-24

External dose coefficients for environmental exposure scenarios are often computed using assumption on infinite or semi-infinite radiation sources. For example, in the case of a person standing on contaminated ground, the source is assumed to be distributed at a given depth (or between various depths) and extending outwards to an essentially infinite distance. In the case of exposure to contaminated air, the person is modeled as standing within a cloud of infinite, or semi-infinite, source distribution. However, these scenarios do not mimic common workplace environments where scatter off walls and ceilings may significantly alter the energy spectrum and dose coefficients.more » In this study, dose rate coefficients were calculated using the International Commission on Radiological Protection (ICRP) reference voxel phantoms positioned in rooms of three sizes representing an office, laboratory, and warehouse. For each room size calculations using the reference phantoms were performed for photons, electrons, and positrons as the source particles to derive mono-energetic dose rate coefficients. Since the voxel phantoms lack the resolution to perform dose calculations at the sensitive depth for the skin, a mathematical phantom was developed and calculations were performed in each room size with the three source particle types. Coefficients for the noble gas radionuclides of ICRP Publication 107 (e.g., Ne, Ar, Kr, Xe, and Rn) were generated by folding the corresponding photon, electron, and positron emissions over the mono-energetic dose rate coefficients. Finally, results indicate that the smaller room sizes have a significant impact on the dose rate per unit air concentration compared to the semi-infinite cloud case. For example, for Kr-85 the warehouse dose rate coefficient is 7% higher than the office dose rate coefficient while it is 71% higher for Xe-133.« less

Comparison of rotational temperature derived from ground-based OH airglow observations with TIMED/SABER to evaluate the Einstein Coefficients

NASA Astrophysics Data System (ADS)

Liu, W.; Xu, J.; Smith, A. K.; Yuan, W.

2017-12-01

Ground-based observations of the OH(9-4, 8-3, 6-2, 5-1, 3-0) band airglows over Xinglong, China (40°24'N, 117°35'E) from December 2011 to 2014 are used to calculate rotational temperatures. The temperatures are calculated using five commonly used Einstein coefficient datasets. The kinetic temperature from TIMED/SABER is completely independent of the OH rotational temperature. SABER temperatures are weighted vertically by weighting functions calculated for each emitting vibrational state from two SABER OH volume emission rate profiles. By comparing the ground-based OH rotational temperature with SABER's, five Einstein coefficient datasets are evaluated. The results show that temporal variations of the rotational temperatures are well correlated with SABER's; the linear correlation coefficients are higher than 0.72, but the slopes of the fit between the SABER and rotational temperatures are not equal to 1. The rotational temperatures calculated using each set of Einstein coefficients produce a different bias with respect to SABER; these are evaluated over each of vibrational levels to assess the best match. It is concluded that rotational temperatures determined using any of the available Einstein coefficient datasets have systematic errors. However, of the five sets of coefficients, the rotational temperature derived with the Langhoff et al.'s (1986) set is most consistent with SABER. In order to get a set of optimal Einstein coefficients for rotational temperature derivation, we derive the relative values from ground-based OH spectra and SABER temperatures statistically using three year data. The use of a standard set of Einstein coefficients will be beneficial for comparing rotational temperatures observed at different sites.

Organ and effective dose rate coefficients for submersion exposure in occupational settings

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

Veinot, K. G.; Y-12 National Security Complex, Oak Ridge, TN; Dewji, S. A.

External dose coefficients for environmental exposure scenarios are often computed using assumption on infinite or semi-infinite radiation sources. For example, in the case of a person standing on contaminated ground, the source is assumed to be distributed at a given depth (or between various depths) and extending outwards to an essentially infinite distance. In the case of exposure to contaminated air, the person is modeled as standing within a cloud of infinite, or semi-infinite, source distribution. However, these scenarios do not mimic common workplace environments where scatter off walls and ceilings may significantly alter the energy spectrum and dose coefficients.more » In this study, dose rate coefficients were calculated using the International Commission on Radiological Protection (ICRP) reference voxel phantoms positioned in rooms of three sizes representing an office, laboratory, and warehouse. For each room size calculations using the reference phantoms were performed for photons, electrons, and positrons as the source particles to derive mono-energetic dose rate coefficients. Since the voxel phantoms lack the resolution to perform dose calculations at the sensitive depth for the skin, a mathematical phantom was developed and calculations were performed in each room size with the three source particle types. Coefficients for the noble gas radionuclides of ICRP Publication 107 (e.g., Ne, Ar, Kr, Xe, and Rn) were generated by folding the corresponding photon, electron, and positron emissions over the mono-energetic dose rate coefficients. Finally, results indicate that the smaller room sizes have a significant impact on the dose rate per unit air concentration compared to the semi-infinite cloud case. For example, for Kr-85 the warehouse dose rate coefficient is 7% higher than the office dose rate coefficient while it is 71% higher for Xe-133.« less

Cascade flutter analysis with transient response aerodynamics

NASA Technical Reports Server (NTRS)

Bakhle, Milind A.; Mahajan, Aparajit J.; Keith, Theo G., Jr.; Stefko, George L.

1991-01-01

Two methods for calculating linear frequency domain aerodynamic coefficients from a time marching Full Potential cascade solver are developed and verified. In the first method, the Influence Coefficient, solutions to elemental problems are superposed to obtain the solutions for a cascade in which all blades are vibrating with a constant interblade phase angle. The elemental problem consists of a single blade in the cascade oscillating while the other blades remain stationary. In the second method, the Pulse Response, the response to the transient motion of a blade is used to calculate influence coefficients. This is done by calculating the Fourier Transforms of the blade motion and the response. Both methods are validated by comparison with the Harmonic Oscillation method and give accurate results. The aerodynamic coefficients obtained from these methods are used for frequency domain flutter calculations involving a typical section blade structural model. An eigenvalue problem is solved for each interblade phase angle mode and the eigenvalues are used to determine aeroelastic stability. Flutter calculations are performed for two examples over a range of subsonic Mach numbers.

Validity of Torque-Data Collection at Multiple Sites: A Framework for Collaboration on Clinical-Outcomes Research in Sports Medicine.

PubMed

Kuenze, Christopher; Eltouhky, Moataz; Thomas, Abbey; Sutherlin, Mark; Hart, Joseph

2016-05-01

Collecting torque data using a multimode dynamometer is common in sports-medicine research. The error in torque measurements across multiple sites and dynamometers has not been established. To assess the validity of 2 calibration protocols across 3 dynamometers and the error associated with torque measurement for each system. Observational study. 3 university laboratories at separate institutions. 2 Biodex System 3 dynamometers and 1 Biodex System 4 dynamometer. System calibration was completed using the manufacturer-recommended single-weight method and an experimental calibration method using a series of progressive weights. Both calibration methods were compared with a manually calculated theoretical torque across a range of applied weights. Relative error, absolute error, and percent error were calculated at each weight. Each outcome variable was compared between systems using 95% confidence intervals across low (0-65 Nm), moderate (66-110 Nm), and high (111-165 Nm) torque categorizations. Calibration coefficients were established for each system using both calibration protocols. However, within each system the calibration coefficients generated using the single-weight (System 4 = 2.42 [0.90], System 3a = 1.37 [1.11], System 3b = -0.96 [1.45]) and experimental calibration protocols (System 4 = 3.95 [1.08], System 3a = -0.79 [1.23], System 3b = 2.31 [1.66]) were similar and displayed acceptable mean relative error compared with calculated theoretical torque values. Overall, percent error was greatest for all 3 systems in low-torque conditions (System 4 = 11.66% [6.39], System 3a = 6.82% [11.98], System 3b = 4.35% [9.49]). The System 4 significantly overestimated torque across all 3 weight increments, and the System 3b overestimated torque over the moderate-torque increment. Conversion of raw voltage to torque values using the single-calibration-weight method is valid and comparable to a more complex multiweight calibration process; however, it is clear that calibration must be done for each individual system to ensure accurate data collection.

Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by hydrogen atoms.

PubMed

Paraskevas, Paschalis D; Sabbe, Maarten K; Reyniers, Marie-Françoise; Papayannakos, Nikos G; Marin, Guy B

2014-10-09

Hydrogen-abstraction reactions play a significant role in thermal biomass conversion processes, as well as regular gasification, pyrolysis, or combustion. In this work, a group additivity model is constructed that allows prediction of reaction rates and Arrhenius parameters of hydrogen abstractions by hydrogen atoms from alcohols, ethers, esters, peroxides, ketones, aldehydes, acids, and diketones in a broad temperature range (300-2000 K). A training set of 60 reactions was developed with rate coefficients and Arrhenius parameters calculated by the CBS-QB3 method in the high-pressure limit with tunneling corrections using Eckart tunneling coefficients. From this set of reactions, 15 group additive values were derived for the forward and the reverse reaction, 4 referring to primary and 11 to secondary contributions. The accuracy of the model is validated upon an ab initio and an experimental validation set of 19 and 21 reaction rates, respectively, showing that reaction rates can be predicted with a mean factor of deviation of 2 for the ab initio and 3 for the experimental values. Hence, this work illustrates that the developed group additive model can be reliably applied for the accurate prediction of kinetics of α-hydrogen abstractions by hydrogen atoms from a broad range of oxygenates.

Predicting cyclohexane/water distribution coefficients for the SAMPL5 challenge using MOSCED and the SMD solvation model

NASA Astrophysics Data System (ADS)

Diaz-Rodriguez, Sebastian; Bozada, Samantha M.; Phifer, Jeremy R.; Paluch, Andrew S.

2016-11-01

We present blind predictions using the solubility parameter based method MOSCED submitted for the SAMPL5 challenge on calculating cyclohexane/water distribution coefficients at 298 K. Reference data to parameterize MOSCED was generated with knowledge only of chemical structure by performing solvation free energy calculations using electronic structure calculations in the SMD continuum solvent. To maintain simplicity and use only a single method, we approximate the distribution coefficient with the partition coefficient of the neutral species. Over the final SAMPL5 set of 53 compounds, we achieved an average unsigned error of 2.2± 0.2 log units (ranking 15 out of 62 entries), the correlation coefficient ( R) was 0.6± 0.1 (ranking 35), and 72± 6 % of the predictions had the correct sign (ranking 30). While used here to predict cyclohexane/water distribution coefficients at 298 K, MOSCED is broadly applicable, allowing one to predict temperature dependent infinite dilution activity coefficients in any solvent for which parameters exist, and provides a means by which an excess Gibbs free energy model may be parameterized to predict composition dependent phase-equilibrium.

40 CFR 51.301 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... impairment. A deciview is a haze index derived from calculated light extinction, such that uniform changes in... (for the purposes of calculating deciview, the atmospheric light extinction coefficient must be... extinction coefficient, expressed in inverse megameters (Mm−1). Existing stationary facility means any of the...

Einstein coefficients and oscillator strengths for low lying state of CO molecules

NASA Astrophysics Data System (ADS)

Swer, S.; Syiemiong, A.; Ram, M.; Jha, A. K.; Saxena, A.

2018-04-01

Einstein Coefficients and Oscillator Strengths for different state of CO molecule have been calculated using LEROY'S LEVEL program and MOLCAS ab initio code. Using the wave function derived from Morse potential and transition dipole moment obtained from ab initio calculation, The potential energy functions were computed for these states using the spectroscopic constants. The Morse potential of these states and electronic transition dipole moment of the transition calculated in a recent ab initio study have been used in LEVEL program to produce transition dipole matrix element for a large number of bands. Einstein Coefficients have also been used to compute the radiative lifetimes of several vibrational levels and the calculated values are compared with other theoretical results and experimental values.

Optical coefficient measurements using bulk living tissue by an optical fiber puncture with FOV change

NASA Astrophysics Data System (ADS)

Nakazawa, Haruna; Doi, Marika; Ogawa, Emiyu; Arai, Tsunenori

2018-02-01

To avoid an instability of the optical coefficient measurement using sliced tissue preparation, we proposed the combination of light intensity measurement through an optical fiber puncturing into a bulk tissue varying field of view (FOV) and ray tracing calculation using Monte-Carlo method. The optical coefficients of myocardium such as absorption coefficient μa, scattering coefficient μs, and anisotropic parameter g are used in the myocardium optical propagation. Since optical coefficients obtained using thin sliced tissue could be instable because they are affected by dehydration and intracellular fluid effusion on the sample surface, variety of coefficients have been reported over individual optical differences of living samples. The proposed method which combined the experiment using the bulk tissue with ray tracing calculation were performed. In this method, a 200 μmΦ high-NA silica fiber installed in a 21G needle was punctured up to the bottom of the myocardial bulk tissue over 3 cm in thickness to measure light intensity changing the fiber-tip depth and FOV. We found that the measured attenuation coefficients decreased as the FOV increased. The ray trace calculation represented the same FOV dependence in above mentioned experimental result. We think our particular fiber punctured measurement using bulk tissue varying FOV with Inverse Monte-Carlo method might be useful to obtain the optical coefficients to avoid sample preparation instabilities.

A fluid-solid coupling simulation method for convection heat transfer coefficient considering the under-vehicle condition

NASA Astrophysics Data System (ADS)

Tian, C.; Weng, J.; Liu, Y.

2017-11-01

The convection heat transfer coefficient is one of the evaluation indexes of the brake disc performance. The method used in this paper to calculate the convection heat transfer coefficient is a fluid-solid coupling simulation method, because the calculation results through the empirical formula method have great differences. The model, including a brake disc, a car body, a bogie and flow field, was built, meshed and simulated in the software FLUENT. The calculation models were K-epsilon Standard model and Energy model. The working condition of the brake disc was considered. The coefficient of various parts can be obtained through the method in this paper. The simulation result shows that, under 160 km/h speed, the radiating ribs have the maximum convection heat transfer coefficient and the value is 129.6W/(m2·K), the average coefficient of the whole disc is 100.4W/(m2·K), the windward of ribs is positive-pressure area and the leeward of ribs is negative-pressure area, the maximum pressure is 2663.53Pa.

Conversion of the trace elements Zn, Cd, and Pb in the combustion of near-Moscow coals

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

E.V. Samuilov; L.N. Lebedeva; L.S. Pokrovskaya

A model for the conversion of trace elements in the combustion of near-Moscow coals based on a complex approach combining the capabilities of geochemistry, chemical thermodynamics, phase analysis, and chemical kinetics is proposed. The conversion of the trace elements Zn, Cd, and Pb as the constituents of near-Moscow coal in the flow of coal combustion products along the line of the P-59 boiler at the Ryazanskaya Thermal Power Plant was calculated. Experimental data were used in the development of the model and in calculations.

TU-F-18C-05: Evaluation of a Method to Calculate Patient-Oriented MGD Coefficients Using Estimates of Glandular Tissue Distribution

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

Porras-Chaverri, M; University of Costa Rica, San Jose; Galavis, P

Purpose: Evaluate mammographic mean glandular dose (MGD) coefficients for particular known tissue distributions using a novel formalism that incorporates the effect of the heterogeneous glandular tissue distribution, by comparing them with MGD coefficients derived from the corresponding anthropomorphic computer breast phantom. Methods: MGD coefficients were obtained using MCNP5 simulations with the currently used homogeneous assumption and the heterogeneously-layered breast (HLB) geometry and compared against those from the computer phantom (ground truth). The tissue distribution for the HLB geometry was estimated using glandularity map image pairs corrected for the presence of non-glandular fibrous tissue. Heterogeneity of tissue distribution was quantified usingmore » the glandular tissue distribution index, Idist. The phantom had 5 cm compressed breast thickness (MLO and CC views) and 29% whole breast glandular percentage. Results: Differences as high as 116% were found between the MGD coefficients with the homogeneous breast core assumption and those from the corresponding ground truth. Higher differences were found for cases with more heterogeneous distribution of glandular tissue. The Idist for all cases was in the [−0.8{sup −}+0.3] range. The use of the methods presented in this work results in better agreement with ground truth with an improvement as high as 105 pp. The decrease in difference across all phantom cases was in the [9{sup −}105] pp range, dependent on the distribution of glandular tissue and was larger for the cases with the highest Idist values. Conclusion: Our results suggest that the use of corrected glandularity image pairs, as well as the HLB geometry, improves the estimates of MGD conversion coefficients by accounting for the distribution of glandular tissue within the breast. The accuracy of this approach with respect to ground truth is highly dependent on the particular glandular tissue distribution studied. Predrag Bakic discloses current funding from NIH, NSF, and DoD, former funding from Real Time Tomography, LLC and a current research collaboration with Barco and Hologic.« less

Transport Coefficients from Large Deviation Functions

NASA Astrophysics Data System (ADS)

Gao, Chloe; Limmer, David

2017-10-01

We describe a method for computing transport coefficients from the direct evaluation of large deviation function. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which is a scaled cumulant generating function analogous to the free energy. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green-Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

An organ-based approach to dose calculation in the assessment of dose-dependent biological effects of ionising radiation in Arabidopsis thaliana.

PubMed

Biermans, Geert; Horemans, Nele; Vanhoudt, Nathalie; Vandenhove, Hildegarde; Saenen, Eline; Van Hees, May; Wannijn, Jean; Vives i Batlle, Jordi; Cuypers, Ann

2014-07-01

There is a need for a better understanding of biological effects of radiation exposure in non-human biota. Correct description of these effects requires a more detailed model of dosimetry than that available in current risk assessment tools, particularly for plants. In this paper, we propose a simple model for dose calculations in roots and shoots of Arabidopsis thaliana seedlings exposed to radionuclides in a hydroponic exposure setup. This model is used to compare absorbed doses for three radionuclides, (241)Am (α-radiation), (90)Sr (β-radiation) and (133)Ba (γ radiation). Using established dosimetric calculation methods, dose conversion coefficient values were determined for each organ separately based on uptake data from the different plant organs. These calculations were then compared to the DCC values obtained with the ERICA tool under equivalent geometry assumptions. When comparing with our new method, the ERICA tool appears to overestimate internal doses and underestimate external doses in the roots for all three radionuclides, though each to a different extent. These observations might help to refine dose-response relationships. The DCC values for (90)Sr in roots are shown to deviate the most. A dose-effect curve for (90)Sr β-radiation has been established on biomass and photosynthesis endpoints, but no significant dose-dependent effects are observed. This indicates the need for use of endpoints at the molecular and physiological scale. Copyright © 2013 Elsevier Ltd. All rights reserved.

The estimation of absorbed dose rates for non-human biota : an extended inter-comparison.

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

Batlle, J. V. I.; Beaugelin-Seiller, K.; Beresford, N. A.

An exercise to compare 10 approaches for the calculation of unweighted whole-body absorbed dose rates was conducted for 74 radionuclides and five of the ICRP's Reference Animals and Plants, or RAPs (duck, frog, flatfish egg, rat and elongated earthworm), selected for this exercise to cover a range of body sizes, dimensions and exposure scenarios. Results were analysed using a non-parametric method requiring no specific hypotheses about the statistical distribution of data. The obtained unweighted absorbed dose rates for internal exposure compare well between the different approaches, with 70% of the results falling within a range of variation of {+-}20%. Themore » variation is greater for external exposure, although 90% of the estimates are within an order of magnitude of one another. There are some discernible patterns where specific models over- or under-predicted. These are explained based on the methodological differences including number of daughter products included in the calculation of dose rate for a parent nuclide; source-target geometry; databases for discrete energy and yield of radionuclides; rounding errors in integration algorithms; and intrinsic differences in calculation methods. For certain radionuclides, these factors combine to generate systematic variations between approaches. Overall, the technique chosen to interpret the data enabled methodological differences in dosimetry calculations to be quantified and compared, allowing the identification of common issues between different approaches and providing greater assurance on the fundamental dose conversion coefficient approaches used in available models for assessing radiological effects to biota.« less

40 CFR 98.153 - Calculating GHG emissions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... periods for the year. 10−3 = Conversion factor from kilograms to metric tons. (2) Where the mass of only a... concentration and mass measurement periods for the year. 10−3 = Conversion factor from kilograms to metric tons... produced over the year. This calculation is summarized in Equation O-1 of this section: ER30OC09.051 Where...

40 CFR 98.153 - Calculating GHG emissions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... periods for the year. 10−3 = Conversion factor from kilograms to metric tons. (2) Where the mass of only a... concentration and mass measurement periods for the year. 10−3 = Conversion factor from kilograms to metric tons... produced over the year. This calculation is summarized in Equation O-1 of this section: ER30OC09.051 Where...

Generating porosity spectrum of carbonate reservoirs using ultrasonic imaging log

NASA Astrophysics Data System (ADS)

Zhang, Jie; Nie, Xin; Xiao, Suyun; Zhang, Chong; Zhang, Chaomo; Zhang, Zhansong

2018-03-01

Imaging logging tools can provide us the borehole wall image. The micro-resistivity imaging logging has been used to obtain borehole porosity spectrum. However, the resistivity imaging logging cannot cover the whole borehole wall. In this paper, we propose a method to calculate the porosity spectrum using ultrasonic imaging logging data. Based on the amplitude attenuation equation, we analyze the factors affecting the propagation of wave in drilling fluid and formation and based on the bulk-volume rock model, Wyllie equation and Raymer equation, we establish various conversion models between the reflection coefficient β and porosity ϕ. Then we use the ultrasonic imaging logging and conventional wireline logging data to calculate the near-borehole formation porosity distribution spectrum. The porosity spectrum result obtained from ultrasonic imaging data is compared with the one from the micro-resistivity imaging data, and they turn out to be similar, but with discrepancy, which is caused by the borehole coverage and data input difference. We separate the porosity types by performing threshold value segmentation and generate porosity-depth distribution curves by counting with equal depth spacing on the porosity image. The practice result is good and reveals the efficiency of our method.

Sentiment Diffusion of Public Opinions about Hot Events: Based on Complex Network

PubMed Central

Hao, Xiaoqing; An, Haizhong; Zhang, Lijia; Li, Huajiao; Wei, Guannan

2015-01-01

To study the sentiment diffusion of online public opinions about hot events, we collected people’s posts through web data mining techniques. We calculated the sentiment value of each post based on a sentiment dictionary. Next, we divided those posts into five different orientations of sentiments: strongly positive (P), weakly positive (p), neutral (o), weakly negative (n), and strongly negative (N). These sentiments are combined into modes through coarse graining. We constructed sentiment mode complex network of online public opinions (SMCOP) with modes as nodes and the conversion relation in chronological order between different types of modes as edges. We calculated the strength, k-plex clique, clustering coefficient and betweenness centrality of the SMCOP. The results show that the strength distribution obeys power law. Most posts’ sentiments are weakly positive and neutral, whereas few are strongly negative. There are weakly positive subgroups and neutral subgroups with ppppp and ooooo as the core mode, respectively. Few modes have larger betweenness centrality values and most modes convert to each other with these higher betweenness centrality modes as mediums. Therefore, the relevant person or institutes can take measures to lead people’s sentiments regarding online hot events according to the sentiment diffusion mechanism. PMID:26462230

High performance of mixed halide perovskite solar cells: Role of halogen atom and plasmonic nanoparticles on the ideal current density of cell

NASA Astrophysics Data System (ADS)

Mohebpour, Mohammad Ali; Saffari, Mohaddeseh; Soleimani, Hamid Rahimpour; Tagani, Meysam Bagheri

2018-03-01

To be able to increase the efficiency of perovskite solar cells which is one of the most substantial challenges ahead in photovoltaic industry, the structural and optical properties of perovskite CH3NH3PbI3-xBrx for values x = 1-3 have been studied employing density functional theory (DFT). Using the optical constants extracted from DFT calculations, the amount of light reflectance and ideal current density of a simulated single-junction perovskite solar cell have been investigated. The results of DFT calculations indicate that adding halogen bromide to CH3NH3PbI3 compound causes the relocation of energy bands in band structure which its consequence is increasing the bandgap. In addition, the effect of increasing Br in this structure can be seen as a reduction in lattice constant, refractive index, extinction and absorption coefficient. As well, results of the simulation suggest a significant current density enhancement as much as 22% can be achieved by an optimized array of Platinum nanoparticles that is remarkable. This plan is able to be a prelude for accomplishment of solar cells with higher energy conversion efficiency.

CFD study of leakage flows in shroud cavities of a compressor impeller

NASA Astrophysics Data System (ADS)

Soldatova, K.

2017-08-01

The flow character in a gap between shroud disc of an impeller and a stator surface (shroud cavity) influences disc friction loss, labyrinth seal loss (parasitic losses) and thrust force. Flow calculations inside the shroud cavity of a model of centrifugal compressor stage and its labyrinth seal in a range of flow rates and axial width and radial gap are presented. The results are presented in terms of non-dimensional coefficients of flow, disc friction and seal leakage losses coefficients and pressure coefficient. The distributions meridional and tangential flow velocities correspond to the continuity and equilibrium equations - flow radial circulation exists in wide cavity and is absent in narrow cavities. The radial pressure distributions as measured and calculated are not fully comparable. The possible reason is that CFD-calculated leakage coefficient is less than calculated by A.Stodola formula. The influence of a cavity width on the losses and the thrust force requires a balanced design.

Thermodynamic Properties and Transport Coefficients of Nitrogen, Hydrogen and Helium Plasma Mixed with Silver Vapor

NASA Astrophysics Data System (ADS)

Zhou, Xue; Cui, Xinglei; Chen, Mo; Zhai, Guofu

2016-05-01

Species composites of Ag-N2, Ag-H2 and Ag-He plasmas in the temperature range of 3,000-20,000 K and at 1 atmospheric pressure were calculated by using the minimization of Gibbs free energy. Thermodynamic properties and transport coefficients of nitrogen, hydrogen and helium plasmas mixed with a variety of silver vapor were then calculated based on the equilibrium composites and collision integral data. The calculation procedure was verified by comparing the results obtained in this paper with the published transport coefficients on the case of pure nitrogen plasma. The influences of the silver vapor concentration on composites, thermodynamic properties and transport coefficients were finally analyzed and summarized for all the three types of plasmas. Those physical properties were important for theoretical study and numerical calculation on arc plasma generated by silver-based electrodes in those gases in sealed electromagnetic relays and contacts. supported by National Natural Science Foundation of China (Nos. 51277038 and 51307030)

Simplified methods for calculating photodissociation rates

NASA Technical Reports Server (NTRS)

Shimazaki, T.; Ogawa, T.; Farrell, B. C.

1977-01-01

Simplified methods for calculating the transmission of solar UV radiation and the dissociation coefficients of various molecules are compared. A significant difference sometimes appears in calculations of the individual band, but the total transmission and the total dissociation coefficients integrated over the entire SR (solar radiation) band region agree well between the methods. The ambiguities in the solar flux data affect the calculated dissociation coefficients more strongly than does the method. A simpler method is developed for the purpose of reducing the computation time and computer memory size necessary for storing coefficients of the equations. The new method can reduce the computation time by a factor of more than 3 and the memory size by a factor of more than 50 compared with the Hudson-Mahle method, and yet the result agrees within 10 percent (in most cases much less) with the original Hudson-Mahle results, except for H2O and CO2. A revised method is necessary for these two molecules, whose absorption cross sections change very rapidly over the SR band spectral range.

Rate Constants for Fine-Structure Excitations in O - H Collisions with Error Bars Obtained by Machine Learning

NASA Astrophysics Data System (ADS)

Vieira, Daniel; Krems, Roman

2017-04-01

Fine-structure transitions in collisions of O(3Pj) with atomic hydrogen are an important cooling mechanism in the interstellar medium; knowledge of the rate coefficients for these transitions has a wide range of astrophysical applications. The accuracy of the theoretical calculation is limited by inaccuracy in the ab initio interaction potentials used in the coupled-channel quantum scattering calculations from which the rate coefficients can be obtained. In this work we use the latest ab initio results for the O(3Pj) + H interaction potentials to improve on previous calculations of the rate coefficients. We further present a machine-learning technique based on Gaussian Process regression to determine the sensitivity of the rate coefficients to variations of the underlying adiabatic interaction potentials. To account for the inaccuracy inherent in the ab initio calculations we compute error bars for the rate coefficients corresponding to 20% variation in each of the interaction potentials. We obtain these error bars by fitting a Gaussian Process model to a data set of potential curves and rate constants. We use the fitted model to do sensitivity analysis, determining the relative importance of individual adiabatic potential curves to a given fine-structure transition. NSERC.

Banded structures in electron pitch angle diffusion coefficients from resonant wave-particle interactions

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

Tripathi, A. K., E-mail: aktrip2001@yahoo.co.in; Singhal, R. P., E-mail: rpsiitbhu@yahoo.com; Khazanov, G. V., E-mail: George.V.Khazanov@nasa.gov

2016-04-15

Electron pitch angle (D{sub αα}) and momentum (D{sub pp}) diffusion coefficients have been calculated due to resonant interactions with electrostatic electron cyclotron harmonic (ECH) and whistler mode chorus waves. Calculations have been performed at two spatial locations L = 4.6 and 6.8 for electron energies ≤10 keV. Landau (n = 0) resonance and cyclotron harmonic resonances n = ±1, ±2, … ±5 have been included in the calculations. It is found that diffusion coefficient versus pitch angle (α) profiles show large dips and oscillations or banded structures. The structures are more pronounced for ECH and lower band chorus (LBC) and particularly at location 4.6. Calculations of diffusionmore » coefficients have also been performed for individual resonances. It is noticed that the main contribution of ECH waves in pitch angle diffusion coefficient is due to resonances n = +1 and n = +2. A major contribution to momentum diffusion coefficients appears from n = +2. However, the banded structures in D{sub αα} and D{sub pp} coefficients appear only in the profile of diffusion coefficients for n = +2. The contribution of other resonances to diffusion coefficients is found to be, in general, quite small or even negligible. For LBC and upper band chorus waves, the banded structures appear only in Landau resonance. The D{sub pp} diffusion coefficient for ECH waves is one to two orders smaller than D{sub αα} coefficients. For chorus waves, D{sub pp} coefficients are about an order of magnitude smaller than D{sub αα} coefficients for the case n ≠ 0. In case of Landau resonance, the values of D{sub pp} coefficient are generally larger than the values of D{sub αα} coefficients particularly at lower energies. As an aid to the interpretation of results, we have also determined the resonant frequencies. For ECH waves, resonant frequencies have been estimated for wave normal angle 89° and harmonic resonances n = +1, +2, and +3, whereas for whistler mode waves, the frequencies have been calculated for angle 10° and Landau resonance. Further, in ECH waves, the banded structures appear for electron energies ≥1 keV, and for whistler mode chorus waves, structures appear for energies >2 keV at L = 4.6 and above 200 eV for L = 6.8. The results obtained in the present work will be helpful in the study of diffusion curves and will have important consequences for diffuse aurora and pancake distributions.« less

Virial Coefficients for the Liquid Argon

NASA Astrophysics Data System (ADS)

Korth, Micheal; Kim, Saesun

2014-03-01

We begin with a geometric model of hard colliding spheres and calculate probability densities in an iterative sequence of calculations that lead to the pair correlation function. The model is based on a kinetic theory approach developed by Shinomoto, to which we added an interatomic potential for argon based on the model from Aziz. From values of the pair correlation function at various values of density, we were able to find viral coefficients of liquid argon. The low order coefficients are in good agreement with theoretical hard sphere coefficients, but appropriate data for argon to which these results might be compared is difficult to find.

Comment on `Magnitude conversion problem using general orthogonal regression' by H. R. Wason, Ranjit Das and M. L. Sharma, (Geophys. J. Int., 190, 1091-1096)

NASA Astrophysics Data System (ADS)

Gasperini, Paolo; Lolli, Barbara

2014-01-01

The argument proposed by Wason et al. that the conversion of magnitudes from a scale (e.g. Ms or mb) to another (e.g. Mw), using the coefficients computed by the general orthogonal regression method (Fuller) is biased if the observed values of the predictor (independent) variable are used in the equation as well as the methodology they suggest to estimate the supposedly true values of the predictor variable are wrong for a number of theoretical and empirical reasons. Hence, we advise against the use of such methodology for magnitude conversions.

Acoustic echo cancellation for full-duplex voice transmission on fading channels

NASA Technical Reports Server (NTRS)

Park, Sangil; Messer, Dion D.

1990-01-01

This paper discusses the implementation of an adaptive acoustic echo canceler for a hands-free cellular phone operating on a fading channel. The adaptive lattice structure, which is particularly known for faster convergence relative to the conventional tapped-delay-line (TDL) structure, is used in the initialization stage. After convergence, the lattice coefficients are converted into the coefficients for the TDL structure which can accommodate a larger number of taps in real-time operation due to its computational simplicity. The conversion method of the TDL coefficients from the lattice coefficients is derived and the DSP56001 assembly code for the lattice and TDL structure is included, as well as simulation results and the schematic diagram for the hardware implementation.

On Sound Reflection in Superfluid

NASA Astrophysics Data System (ADS)

Melnikovsky, L. A.

2008-02-01

We consider reflection of first and second sound waves by a rigid flat wall in superfluid. A nontrivial dependence of the reflection coefficients on the angle of incidence is obtained. Sound conversion is predicted at slanted incidence.

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

Mamedov, Bahtiyar A.; Somuncu, Elif; Askerov, Iskender M.

In this work, a new theoretical approach is proposed for calculating fourth virial coefficient with Lennard-Jones potential. The established algorithm can be used to evaluate the thermodynamics properties and the intermolecular interaction potentials of liquids and gases with an improved accuracy. Note that the evaluation of the high-order virial coefficients is very valuable for accurate calculation of thermodynamic parameters. By using the suggested method, the fourth virial coefficient of CH{sub 4}, Ar, C{sub 2}H{sub 6} and SF{sub 6} molecules are evaluated. The calculation results are useful for accurate interpretation of the experimental data and of the determination of related physicalmore » properties.« less

A method for determination mass absorption coefficient of gamma rays by Compton scattering.

PubMed

El Abd, A

2014-12-01

A method was proposed for determination mass absorption coefficient of gamma rays for compounds, alloys and mixtures. It is based on simulating interaction processes of gamma rays with target elements having atomic numbers from Z=1 to Z=92 using the MCSHAPE software. Intensities of Compton scattered gamma rays at saturation thicknesses and at a scattering angle of 90° were calculated for incident gamma rays of different energies. The obtained results showed that the intensity of Compton scattered gamma rays at saturations and mass absorption coefficients can be described by mathematical formulas. These were used to determine mass absorption coefficients for compound, alloys and mixtures with the knowledge of their Compton scattered intensities. The method was tested by calculating mass absorption coefficients for some compounds, alloys and mixtures. There is a good agreement between obtained results and calculated ones using WinXom software. The advantages and limitations of the method were discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients. Revised

NASA Technical Reports Server (NTRS)

Zehe, Michael J.; Gordon, Sanford; McBride, Bonnie J.

2002-01-01

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients

NASA Technical Reports Server (NTRS)

Zehe, Michael J.; Gordon, Sanford; McBride, Bonnie J.

2001-01-01

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

Lifetime Measurement of the 229Th nuclear isomer

NASA Astrophysics Data System (ADS)

Seiferle, Benedict; von der Wense, Lars; Thirolf, Peter G.

2017-01-01

The first excited isomeric state of 229Th possesses the lowest energy among all known excited nuclear states. The expected energy is accessible with today's laser technology and in principle allows for a direct optical laser excitation of the nucleus. The isomer decays via three channels to its ground state (internal conversion, γ decay, and bound internal conversion), whose strengths depend on the charge state of Thm229 . We report on the measurement of the internal-conversion decay half-life of neutral Thm229 . A half-life of 7 ±1 μ s has been measured, which is in the range of theoretical predictions and, based on the theoretically expected lifetime of ≈1 04 s of the photonic decay channel, gives further support for an internal conversion coefficient of ≈1 09, thus constraining the strength of a radiative branch in the presence of internal conversion.

Full-spectrum volumetric solar thermal conversion via photonic nanofluids.

PubMed

Liu, Xianglei; Xuan, Yimin

2017-10-12

Volumetric solar thermal conversion is an emerging technique for a plethora of applications such as solar thermal power generation, desalination, and solar water splitting. However, achieving broadband solar thermal absorption via dilute nanofluids is still a daunting challenge. In this work, full-spectrum volumetric solar thermal conversion is demonstrated over a thin layer of the proposed 'photonic nanofluids'. The underlying mechanism is found to be the photonic superposition of core resonances, shell plasmons, and core-shell resonances at different wavelengths, whose coexistence is enabled by the broken symmetry of specially designed composite nanoparticles, i.e., Janus nanoparticles. The solar thermal conversion efficiency can be improved by 10.8% compared with core-shell nanofluids. The extinction coefficient of Janus dimers with various configurations is also investigated to unveil the effects of particle couplings. This work provides the possibility to achieve full-spectrum volumetric solar thermal conversion, and may have potential applications in efficient solar energy harvesting and utilization.

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.

Knee joint stiffness in individuals with and without knee osteoarthritis: a preliminary study.

PubMed

Oatis, Carol A; Wolff, Edward F; Lennon, Sandra K

2006-12-01

Descriptive, case-matched comparison. To compare the knee joint stiffness and damping coefficients of individuals with knee osteoarthritis (KOA) to those of age- and gender-matched individuals without KOA. A secondary purpose was to investigate relationships between these coefficients and complaints of stiffness in individuals with KOA. KOA is a leading cause of disability, and stiffness is a common complaint in individuals with KOA. Yet the most common method of assessing knee joint stiffness is through a self-report questionnaire. Stiffness and damping coefficients at the knee were calculated in 10 volunteers (mean age +/- SD, 64.1+/-15.5 years) with KOA and compared to coefficients from age-and gender-matched individuals without KOA, collected in a previous study (mean age +/- SD, 62.1+/-13.9 years). Stiffness and damping coefficients were calculated from the angular motion of the knee during a relaxed oscillation. Spearman correlation coefficients were calculated between stiffness and damping coefficients and WOMAC (Western Ontario and McMaster Universities Osteoarthritis Index) scores for subjects with KOA. Independent 2-tailed t tests revealed significantly larger damping coefficients (P = .035) among those with KOA (95% CI, 0.10-2.32 Nm s/rad). Spearman rank correlations revealed a significant positive relationship (r = .85, P = .003) between the damping coefficient and the stiffness subscore of the WOMAC. This study offers preliminary data demonstrating the feasibility of measuring stiffness and damping coefficients in individuals with KOA. Additionally, the damping coefficient is increased in people with KOA when compared to age- and gender-matched individuals without KOA. The damping coefficient appears to be associated with the complaints of stiffness reported by the WOMAC.

Turbulent MHD transport coefficients - An attempt at self-consistency

NASA Technical Reports Server (NTRS)

Chen, H.; Montgomery, D.

1987-01-01

In this paper, some multiple scale perturbation calculations of turbulent MHD transport coefficients begun in earlier papers are first completed. These generalize 'alpha effect' calculations by treating the velocity field and magnetic field on the same footing. Then the problem of rendering such calculations self-consistent is addressed, generalizing an eddy-viscosity hypothesis similar to that of Heisenberg for the Navier-Stokes case. The method also borrows from Kraichnan's direct interaction approximation. The output is a set of integral equations relating the spectra and the turbulent transport coefficients. Previous 'alpha effect' and 'beta effect' coefficients emerge as limiting cases. A treatment of the inertial range can also be given, consistent with a -5/3 energy spectrum power law. In the Navier-Stokes limit, a value of 1.72 is extracted for the Kolmogorov constant. Further applications to MHD are possible.

Towards a nonperturbative calculation of weak Hamiltonian Wilson coefficients

DOE PAGES

Bruno, Mattia; Lehner, Christoph; Soni, Amarjit

2018-04-20

Here, we propose a method to compute the Wilson coefficients of the weak effective Hamiltonian to all orders in the strong coupling constant using Lattice QCD simulations. We perform our calculations adopting an unphysically light weak boson mass of around 2 GeV. We demonstrate that systematic errors for the Wilson coefficients C 1 and C 2, related to the current-current four-quark operators, can be controlled and present a path towards precise determinations in subsequent works.

Towards a nonperturbative calculation of weak Hamiltonian Wilson coefficients

NASA Astrophysics Data System (ADS)

Bruno, Mattia; Lehner, Christoph; Soni, Amarjit; Rbc; Ukqcd Collaborations

2018-04-01

We propose a method to compute the Wilson coefficients of the weak effective Hamiltonian to all orders in the strong coupling constant using Lattice QCD simulations. We perform our calculations adopting an unphysically light weak boson mass of around 2 GeV. We demonstrate that systematic errors for the Wilson coefficients C1 and C2 , related to the current-current four-quark operators, can be controlled and present a path towards precise determinations in subsequent works.

Towards a nonperturbative calculation of weak Hamiltonian Wilson coefficients

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

Bruno, Mattia; Lehner, Christoph; Soni, Amarjit

Here, we propose a method to compute the Wilson coefficients of the weak effective Hamiltonian to all orders in the strong coupling constant using Lattice QCD simulations. We perform our calculations adopting an unphysically light weak boson mass of around 2 GeV. We demonstrate that systematic errors for the Wilson coefficients C 1 and C 2, related to the current-current four-quark operators, can be controlled and present a path towards precise determinations in subsequent works.

Computational modeling and analysis of thermoelectric properties of nanoporous silicon

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

Li, H.; Yu, Y.; Li, G., E-mail: gli@clemson.edu

2014-03-28

In this paper, thermoelectric properties of nanoporous silicon are modeled and studied by using a computational approach. The computational approach combines a quantum non-equilibrium Green's function (NEGF) coupled with the Poisson equation for electrical transport analysis, a phonon Boltzmann transport equation (BTE) for phonon thermal transport analysis and the Wiedemann-Franz law for calculating the electronic thermal conductivity. By solving the NEGF/Poisson equations self-consistently using a finite difference method, the electrical conductivity σ and Seebeck coefficient S of the material are numerically computed. The BTE is solved by using a finite volume method to obtain the phonon thermal conductivity k{sub p}more » and the Wiedemann-Franz law is used to obtain the electronic thermal conductivity k{sub e}. The figure of merit of nanoporous silicon is calculated by ZT=S{sup 2}σT/(k{sub p}+k{sub e}). The effects of doping density, porosity, temperature, and nanopore size on thermoelectric properties of nanoporous silicon are investigated. It is confirmed that nanoporous silicon has significantly higher thermoelectric energy conversion efficiency than its nonporous counterpart. Specifically, this study shows that, with a n-type doping density of 10{sup 20} cm{sup –3}, a porosity of 36% and nanopore size of 3 nm × 3 nm, the figure of merit ZT can reach 0.32 at 600 K. The results also show that the degradation of electrical conductivity of nanoporous Si due to the inclusion of nanopores is compensated by the large reduction in the phonon thermal conductivity and increase of absolute value of the Seebeck coefficient, resulting in a significantly improved ZT.« less

Doses of external exposure in Jordan house due to gamma-emitting natural radionuclides in building materials.

PubMed

Al-Jundi, J; Ulanovsky, A; Pröhl, G

2009-10-01

The use of building materials containing naturally occurring radionuclides as (40)K, (232)Th, and (238)U and their progeny results in external exposures of the residents of such buildings. In the present study, indoor dose rates for a typical Jordan concrete room are calculated using Monte Carlo method. Uniform chemical composition of the walls, floor and ceiling as well as uniform mass concentrations of the radionuclides in walls, floor and ceiling are assumed. Using activity concentrations of natural radionuclides typical for the Jordan houses and assuming them to be in secular equilibrium with their progeny, the maximum annual effective doses are estimated to be 0.16, 0.12 and 0.22 mSv a(-1) for (40)K, (232)Th- and (238)U-series, respectively. In a total, the maximum annual effective indoor dose due to external gamma-radiation is 0.50 mSv a(-1). Additionally, organ dose coefficients are calculated for all organs considered in ICRP Publication 74. Breast, skin and eye lenses have the maximum equivalent dose rate values due to indoor exposures caused by the natural radionuclides, while equivalent dose rates for uterus, colon (LLI) and small intestine are found to be the smallest. More specifically, organ dose rates (nSv a(-1)per Bq kg(-1)) vary from 0.044 to 0.060 for (40)K, from 0.44 to 0.60 for radionuclides from (238)U-series and from 0.60 to 0.81 for radionuclides from (232)Th-series. The obtained organ and effective dose conversion coefficients can be conveniently used in practical dose assessment tasks for the rooms of similar geometry and varying activity concentrations and local-specific occupancy factors.

Multi-keV x-ray sources from metal-lined cylindrical hohlraums

NASA Astrophysics Data System (ADS)

Jacquet, L.; Girard, F.; Primout, M.; Villette, B.; Stemmler, Ph.

2012-08-01

As multi-keV x-ray sources, plastic hohlraums with inner walls coated with titanium, copper, and germanium have been fired on Omega in September 2009. For all the targets, the measured and calculated multi-keV x-ray power time histories are in a good qualitative agreement. In the same irradiation conditions, measured multi-keV x-ray conversion rates are ˜6%-8% for titanium, ˜2% for copper, and ˜0.5% for germanium. For titanium and copper hohlraums, the measured conversion rates are about two times higher than those given by hydroradiative computations. Conversely, for the germanium hohlraum, a rather good agreement is found between measured and computed conversion rates. To explain these findings, multi-keV integrated emissivities calculated with RADIOM [M. Busquet, Phys. Fluids 85, 4191 (1993)], the nonlocal-thermal-equilibrium atomic physics model used in our computations, have been compared to emissivities obtained from different other models. These comparisons provide an attractive way to explain the discrepancies between experimental and calculated quantitative results.

A program for calculating load coefficient matrices utilizing the force summation method, L218 (LOADS). Volume 1: Engineering and usage

NASA Technical Reports Server (NTRS)

Miller, R. D.; Anderson, L. R.

1979-01-01

The LOADS program L218, a digital computer program that calculates dynamic load coefficient matrices utilizing the force summation method, is described. The load equations are derived for a flight vehicle in straight and level flight and excited by gusts and/or control motions. In addition, sensor equations are calculated for use with an active control system. The load coefficient matrices are calculated for the following types of loads: translational and rotational accelerations, velocities, and displacements; panel aerodynamic forces; net panel forces; shears and moments. Program usage and a brief description of the analysis used are presented. A description of the design and structure of the program to aid those who will maintain and/or modify the program in the future is included.

An indirect approach to the extensive calculation of relationship coefficients

PubMed Central

Colleau, Jean-Jacques

2002-01-01

A method was described for calculating population statistics on relationship coefficients without using corresponding individual data. It relied on the structure of the inverse of the numerator relationship matrix between individuals under investigation and ancestors. Computation times were observed on simulated populations and were compared to those incurred with a conventional direct approach. The indirect approach turned out to be very efficient for multiplying the relationship matrix corresponding to planned matings (full design) by any vector. Efficiency was generally still good or very good for calculating statistics on these simulated populations. An extreme implementation of the method is the calculation of inbreeding coefficients themselves. Relative performances of the indirect method were good except when many full-sibs during many generations existed in the population. PMID:12270102

Planck 2013 results. IX. HFI spectral response

NASA Astrophysics Data System (ADS)

Planck Collaboration; Ade, P. A. R.; Aghanim, N.; Armitage-Caplan, C.; Arnaud, M.; Ashdown, M.; Atrio-Barandela, F.; Aumont, J.; Baccigalupi, C.; Banday, A. J.; Barreiro, R. B.; Battaner, E.; Benabed, K.; Benoît, A.; Benoit-Lévy, A.; Bernard, J.-P.; Bersanelli, M.; Bielewicz, P.; Bobin, J.; Bock, J. J.; Bond, J. R.; Borrill, J.; Bouchet, F. R.; Boulanger, F.; Bridges, M.; Bucher, M.; Burigana, C.; Cardoso, J.-F.; Catalano, A.; Challinor, A.; Chamballu, A.; Chary, R.-R.; Chen, X.; Chiang, H. C.; Chiang, L.-Y.; Christensen, P. R.; Church, S.; Clements, D. L.; Colombi, S.; Colombo, L. P. L.; Combet, C.; Comis, B.; Couchot, F.; Coulais, A.; Crill, B. P.; Curto, A.; Cuttaia, F.; Danese, L.; Davies, R. D.; de Bernardis, P.; de Rosa, A.; de Zotti, G.; Delabrouille, J.; Delouis, J.-M.; Désert, F.-X.; Dickinson, C.; Diego, J. M.; Dole, H.; Donzelli, S.; Doré, O.; Douspis, M.; Dupac, X.; Efstathiou, G.; Enßlin, T. A.; Eriksen, H. K.; Falgarone, E.; Finelli, F.; Forni, O.; Frailis, M.; Franceschi, E.; Galeotta, S.; Ganga, K.; Giard, M.; Giraud-Héraud, Y.; González-Nuevo, J.; Górski, K. M.; Gratton, S.; Gregorio, A.; Gruppuso, A.; Hansen, F. K.; Hanson, D.; Harrison, D.; Henrot-Versillé, S.; Hernández-Monteagudo, C.; Herranz, D.; Hildebrandt, S. R.; Hivon, E.; Hobson, M.; Holmes, W. A.; Hornstrup, A.; Hovest, W.; Huffenberger, K. M.; Hurier, G.; Jaffe, A. H.; Jaffe, T. R.; Jones, W. C.; Juvela, M.; Keihänen, E.; Keskitalo, R.; Kisner, T. S.; Kneissl, R.; Knoche, J.; Knox, L.; Kunz, M.; Kurki-Suonio, H.; Lagache, G.; Lamarre, J.-M.; Lasenby, A.; Laureijs, R. J.; Lawrence, C. R.; Leahy, J. P.; Leonardi, R.; Leroy, C.; Lesgourgues, J.; Liguori, M.; Lilje, P. B.; Linden-Vørnle, M.; López-Caniego, M.; Lubin, P. M.; Macías-Pérez, J. F.; Maffei, B.; Mandolesi, N.; Maris, M.; Marshall, D. J.; Martin, P. G.; Martínez-González, E.; Masi, S.; Massardi, M.; Matarrese, S.; Matthai, F.; Mazzotta, P.; McGehee, P.; Melchiorri, A.; Mendes, L.; Mennella, A.; Migliaccio, M.; Mitra, S.; Miville-Deschênes, M.-A.; Moneti, A.; Montier, L.; Morgante, G.; Mortlock, D.; Munshi, D.; Murphy, J. A.; Naselsky, P.; Nati, F.; Natoli, P.; Netterfield, C. B.; Nørgaard-Nielsen, H. U.; North, C.; Noviello, F.; Novikov, D.; Novikov, I.; Osborne, S.; Oxborrow, C. A.; Paci, F.; Pagano, L.; Pajot, F.; Paoletti, D.; Pasian, F.; Patanchon, G.; Perdereau, O.; Perotto, L.; Perrotta, F.; Piacentini, F.; Piat, M.; Pierpaoli, E.; Pietrobon, D.; Plaszczynski, S.; Pointecouteau, E.; Polenta, G.; Ponthieu, N.; Popa, L.; Poutanen, T.; Pratt, G. W.; Prézeau, G.; Prunet, S.; Puget, J.-L.; Rachen, J. P.; Reinecke, M.; Remazeilles, M.; Renault, C.; Ricciardi, S.; Riller, T.; Ristorcelli, I.; Rocha, G.; Rosset, C.; Roudier, G.; Rusholme, B.; Santos, D.; Savini, G.; Scott, D.; Shellard, E. P. S.; Spencer, L. D.; Starck, J.-L.; Stolyarov, V.; Stompor, R.; Sudiwala, R.; Sureau, F.; Sutton, D.; Suur-Uski, A.-S.; Sygnet, J.-F.; Tauber, J. A.; Tavagnacco, D.; Terenzi, L.; Tomasi, M.; Tristram, M.; Tucci, M.; Umana, G.; Valenziano, L.; Valiviita, J.; Van Tent, B.; Vielva, P.; Villa, F.; Vittorio, N.; Wade, L. A.; Wandelt, B. D.; Yvon, D.; Zacchei, A.; Zonca, A.

2014-11-01

The Planck High Frequency Instrument (HFI) spectral response was determined through a series of ground based tests conducted with the HFI focal plane in a cryogenic environment prior to launch. The main goal of the spectral transmission tests was to measure the relative spectral response (includingthe level of out-of-band signal rejection) of all HFI detectors to a known source of electromagnetic radiation individually. This was determined by measuring the interferometric output of a continuously scanned Fourier transform spectrometer with all HFI detectors. As there is no on-board spectrometer within HFI, the ground-based spectral response experiments provide the definitive data set for the relative spectral calibration of the HFI. Knowledge of the relative variations in the spectral response between HFI detectors allows for a more thorough analysis of the HFI data. The spectral response of the HFI is used in Planck data analysis and component separation, this includes extraction of CO emission observed within Planck bands, dust emission, Sunyaev-Zeldovich sources, and intensity to polarization leakage. The HFI spectral response data have also been used to provide unit conversion and colour correction analysis tools. While previous papers describe the pre-flight experiments conducted on the Planck HFI, this paper focusses on the analysis of the pre-flight spectral response measurements and the derivation of data products, e.g. band-average spectra, unit conversion coefficients, and colour correction coefficients, all with related uncertainties. Verifications of the HFI spectral response data are provided through comparisons with photometric HFI flight data. This validation includes use of HFI zodiacal emission observations to demonstrate out-of-band spectral signal rejection better than 108. The accuracy of the HFI relative spectral response data is verified through comparison with complementary flight-data based unit conversion coefficients and colour correction coefficients. These coefficients include those based upon HFI observations of CO, dust, and Sunyaev-Zeldovich emission. General agreement is observed between the ground-based spectral characterization of HFI and corresponding in-flight observations, within the quoted uncertainty of each; explanations are provided for any discrepancies.

Efficiency analysis of betavoltaic elements

NASA Astrophysics Data System (ADS)

Sachenko, A. V.; Shkrebtii, A. I.; Korkishko, R. M.; Kostylyov, V. P.; Kulish, M. R.; Sokolovskyi, I. O.

2015-09-01

The conversion of energy of electrons produced by a radioactive β-source into electricity in a Si and SiC p- n junctions is modeled. The features of the generation function that describes the electron-hole pair production by an electron flux and the emergence of a "dead layer" are discussed. The collection efficiency Q that describes the rate of electron-hole pair production by incident beta particles, is calculated taking into account the presence of the dead layer. It is shown that in the case of high-grade Si p- n junctions, the collection efficiency of electron-hole pairs created by a high-energy electrons flux (such as, e.g., Pm-147 beta flux) is close or equal to unity in a wide range of electron energies. For SiC p-n junctions, Q is near unity only for electrons with relatively low energies of about 5 keV (produced, e.g., by a tritium source) and decreases rapidly with further increase of electron energy. The conditions, under which the influence of the dead layer on the collection efficiency is negligible, are determined. The open-circuit voltage is calculated for realistic values of the minority carriers' diffusion coefficients and lifetimes in Si and SiC p- n junctions, irradiated by a high-energy electrons flux. Our calculations allow to estimate the attainable efficiency of betavoltaic elements.

An optimization of the FPGA/NIOS adaptive FIR filter using linear prediction to reduce narrow band RFI for the next generation ground-based ultra-high energy cosmic-ray experiment

NASA Astrophysics Data System (ADS)

Szadkowski, Zbigniew; Fraenkel, E. D.; Glas, Dariusz; Legumina, Remigiusz

2013-12-01

The electromagnetic part of an extensive air shower developing in the atmosphere provides significant information complementary to that obtained by water Cherenkov detectors which are predominantly sensitive to the muonic content of an air shower at ground. The emissions can be observed in the frequency band between 10 and 100 MHz. However, this frequency range is significantly contaminated by narrow-band RFI and other human-made distortions. The Auger Engineering Radio Array currently suppresses the RFI by multiple time-to-frequency domain conversions using an FFT procedure as well as by a set of manually chosen IIR notch filters in the time-domain. An alternative approach developed in this paper is an adaptive FIR filter based on linear prediction (LP). The coefficients for the linear predictor are dynamically refreshed and calculated in the virtual NIOS processor. The radio detector is an autonomous system installed on the Argentinean pampas and supplied from a solar panel. Powerful calculation capacity inside the FPGA is a factor. Power consumption versus the degree of effectiveness of the calculation inside the FPGA is a figure of merit to be minimized. Results show that the RFI contamination can be significantly suppressed by the LP FIR filter for 64 or less stages.

Growth and characterization of an efficient new NLO single crystal L-phenylalanine D-methionine for frequency conversion and optoelectronic applications

NASA Astrophysics Data System (ADS)

Sangeetha, P.; Jayaprakash, P.; Nageshwari, M.; Rathika Thaya Kumari, C.; Sudha, S.; Prakash, M.; Vinitha, G.; Lydia Caroline, M.

2017-11-01

Optically active single crystals of L-phenylalanine D-methionine (LPDM) were grown by slow evaporation technique by co-crystallization of amino acids L-phenylalanine and D-methionine in water. The unit cell dimensions have been identified from single crystal X-ray diffraction technique. The existences of various hydrocarbyls were examined by FTIR and FT-Raman spectroscopy. The carbon and hydrogen environment of the grown crystals were analyzed by FT NMR spectrum. The optical absorption studies show that the crystal is transparent in the visible region with a lower cut-off wavelength of 259 nm and there by optical band gap energy Eg is calculated to be 5.35 eV. The Urbach energy, extinction coefficient, reflectance were calculated from UV-absorption data. Further, the thermal stability and accurate melting point has been investigated by TG/DSC techniques. The Kurtz powder SHG was confirmed using Nd:YAG laser with fundamental wavelength of 1064 nm. The dielectric behavior of the specimen has been determined for various temperatures (313 K, 333 K, 353 K, 373 K) at different frequencies. Fluorescence study and the time resolved decay calculation was also performed for the LPDM crystal. Optical nonlinear susceptibility was measured in LPDM and the real and imaginary part of χ3 was evaluated by Z-scan technique using open and closed apertures.

Factor Scores, Structure Coefficients, and Communality Coefficients

ERIC Educational Resources Information Center

Goodwyn, Fara

2012-01-01

This paper presents heuristic explanations of factor scores, structure coefficients, and communality coefficients. Common misconceptions regarding these topics are clarified. In addition, (a) the regression (b) Bartlett, (c) Anderson-Rubin, and (d) Thompson methods for calculating factor scores are reviewed. Syntax necessary to execute all four…

CALCULATION OF COOLING TOWERS AND INJECTION COOLERS BY MEANS OF AN EVAPORATION METHOD (in German)

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

Spangemacher, K.

1958-05-01

Calculation and evaluation of cooling towers, as recommended by Merkel, are critically examined. The usual methods of practical calculation are explained as well as a new procedure which combines great accuracy with brevity. Merkel's method is extended to injection coolers for gas and compressed air. It was discussed whether the dimensionless ''evaporation coefficient'' should be called the''Merkel coefficient.'' (tr-auth)

Optimization of air plasma reconversion of UF6 to UO2 based on thermodynamic calculations

NASA Astrophysics Data System (ADS)

Tundeshev, Nikolay; Karengin, Alexander; Shamanin, Igor

2018-03-01

The possibility of plasma-chemical conversion of depleted uranium-235 hexafluoride (DUHF) in air plasma in the form of gas-air mixtures with hydrogen is considered in the paper. Calculation of burning parameters of gas-air mixtures is carried out and the compositions of mixtures obtained via energy-efficient conversion of DUHF in air plasma are determined. With the help of plasma-chemical conversion, thermodynamic modeling optimal composition of UF6-H2-Air mixtures and its burning parameters, the modes for production of uranium dioxide in the condensed phase are determined. The results of the conducted researches can be used for creation of technology for plasma-chemical conversion of DUHF in the form of air-gas mixtures with hydrogen.

Validity and reliability of the Miller Forensic Assessment of Symptoms Test (M-FAST): comment on Veazey, et al. (2005).

PubMed

Charter, Richard A

2005-12-01

Confidence intervals are provided for the validity coefficients calculated by Veazey, et al. for the M-FAST. Two coefficients alpha are also presented along with suggestions for different approaches to calculating the M-FAST internal consistency reliability.

A Simple Method for Calculating Clebsch-Gordan Coefficients

ERIC Educational Resources Information Center

Klink, W. H.; Wickramasekara, S.

2010-01-01

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

Sensitivity Analysis of Nuclide Importance to One-Group Neutron Cross Sections

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

Sekimoto, Hiroshi; Nemoto, Atsushi; Yoshimura, Yoshikane

The importance of nuclides is useful when investigating nuclide characteristics in a given neutron spectrum. However, it is derived using one-group microscopic cross sections, which may contain large errors or uncertainties. The sensitivity coefficient shows the effect of these errors or uncertainties on the importance.The equations for calculating sensitivity coefficients of importance to one-group nuclear constants are derived using the perturbation method. Numerical values are also evaluated for some important cases for fast and thermal reactor systems.Many characteristics of the sensitivity coefficients are derived from the derived equations and numerical results. The matrix of sensitivity coefficients seems diagonally dominant. However,more » it is not always satisfied in a detailed structure. The detailed structure of the matrix and the characteristics of coefficients are given.By using the obtained sensitivity coefficients, some demonstration calculations have been performed. The effects of error and uncertainty of nuclear data and of the change of one-group cross-section input caused by fuel design changes through the neutron spectrum are investigated. These calculations show that the sensitivity coefficient is useful when evaluating error or uncertainty of nuclide importance caused by the cross-section data error or uncertainty and when checking effectiveness of fuel cell or core design change for improving neutron economy.« less

Resonant Spin-Flavor Conversion of Supernova Neutrinos

NASA Astrophysics Data System (ADS)

Ando, Shin'ichiro; Sato, K.

2003-07-01

We investigate resonant spin-flavor (RSF) conversions of supernova neutrinos which are induced by the interaction of neutrino magnetic moment and supernova magnetic fields. With a new diagram we propose, it is found that four conversions occur in supernovae, two are induced by the RSF effect and two by the pure Mikheyev-Smirnov-Wolfenstein (MSW) effect. The realistic numerical calculation of neutrino conversions indicates that the RSF-induced νe ↔ ντ tran¯ -12 9 -1 sition occurs efficiently, when µν > 10 µB (B0 /5 × 10 G) , where B0 is the strength of the magnetic field at the surface of iron core. We also evaluate the energy spectrum as a function of µν B0 at the super-Kamiokande detector using the calculated conversion probabilities, and find that the spectral deformation might have possibility to provide useful information on the neutrino magnetic moment as well as the magnetic field strength in supernovae.

Konstantinov effect in helium II

NASA Astrophysics Data System (ADS)

Melnikovsky, L. A.

2008-04-01

The reflection of first and second sound waves by a rigid flat wall in helium II is considered. A nontrivial dependence of the reflection coefficients on the angle of incidence is obtained. Sound conversion is predicted at oblique incidence.

Conversion of evanescent Lamb waves into propagating waves via a narrow aperture edge.

PubMed

Yan, Xiang; Yuan, Fuh-Gwo

2015-06-01

This paper presents a quantitative study of conversion of evanescent Lamb waves into propagating in isotropic plates. The conversion is substantiated by prescribing time-harmonic Lamb displacements/tractions through a narrow aperture at an edge of a semi-infinite plate. Complex-valued dispersion and group velocity curves are employed to characterize the conversion process. The amplitude coefficient of the propagating Lamb modes converted from evanescent is quantified based on the complex reciprocity theorem via a finite element analysis. The power flow generated into the plate can be separated into radiative and reactive parts made on the basis of propagating and evanescent Lamb waves, where propagating Lamb waves are theoretically proved to radiate pure real power flow, and evanescent Lamb waves carry reactive pure imaginary power flow. The propagating power conversion efficiency is then defined to quantitatively describe the conversion. The conversion efficiency is strongly frequency dependent and can be significant. With the converted propagating waves from evanescent, sensors at far-field can recapture some localized damage information that is generally possessed in evanescent waves and may have potential application in structural health monitoring.

Giant self-biased converse magnetoelectric effect in multiferroic heterostructure with single-phase magnetostrictive materials

NASA Astrophysics Data System (ADS)

Zhang, Jitao; Li, Ping; Wen, Yumei; He, Wei; Yang, Aichao; Wang, Decai; Yang, Chao; Lu, Caijiang

2014-10-01

Giant self-biased converse magnetoelectric (CME) effects with obvious hysteretic behaviors are systematically investigated in two-phase SmFe2/PZT [Pb(Zr1-x, Tix)O3] multiferroic laminates at room temperature. Taking advantage of the huge anisotropic field of SmFe2 plate, large remnant CME coupling is provoked by this field instead of permanent magnets to bias the laminate. Consequently, bitable magnetization status switching is realized through a smaller ac voltage far below the electric coercive field in the absence of magnetic bias field. Experiments demonstrate that a large remnant CME coefficient (αCME) of 0.007 mG/V is achieved, exhibiting ˜50 times higher CME coefficient than the previous laminate composite multi-phase magnetostrictive plates. These results provide promising applications for realization of high-density magnetoelectric random access memories (MERAMs) devices with lower energy consumption.

Impedance computed tomography using an adaptive smoothing coefficient algorithm.

PubMed

Suzuki, A; Uchiyama, A

2001-01-01

In impedance computed tomography, a fixed coefficient regularization algorithm has been frequently used to improve the ill-conditioning problem of the Newton-Raphson algorithm. However, a lot of experimental data and a long period of computation time are needed to determine a good smoothing coefficient because a good smoothing coefficient has to be manually chosen from a number of coefficients and is a constant for each iteration calculation. Thus, sometimes the fixed coefficient regularization algorithm distorts the information or fails to obtain any effect. In this paper, a new adaptive smoothing coefficient algorithm is proposed. This algorithm automatically calculates the smoothing coefficient from the eigenvalue of the ill-conditioned matrix. Therefore, the effective images can be obtained within a short computation time. Also the smoothing coefficient is automatically adjusted by the information related to the real resistivity distribution and the data collection method. In our impedance system, we have reconstructed the resistivity distributions of two phantoms using this algorithm. As a result, this algorithm only needs one-fifth the computation time compared to the fixed coefficient regularization algorithm. When compared to the fixed coefficient regularization algorithm, it shows that the image is obtained more rapidly and applicable in real-time monitoring of the blood vessel.

Analytical coupled modeling of a magneto-based acoustic metamaterial harvester

NASA Astrophysics Data System (ADS)

Nguyen, H.; Zhu, R.; Chen, J. K.; Tracy, S. L.; Huang, G. L.

2018-05-01

Membrane-type acoustic metamaterials (MAMs) have demonstrated unusual capacity in controlling low-frequency sound transmission, reflection, and absorption. In this paper, an analytical vibro-acoustic-electromagnetic coupling model is developed to study MAM harvester sound absorption, energy conversion, and energy harvesting behavior under a normal sound incidence. The MAM harvester is composed of a prestressed membrane with an attached rigid mass, a magnet coil, and a permanent magnet coin. To accurately capture finite-dimension rigid mass effects on the membrane deformation under the variable magnet force, a theoretical model based on the deviating acoustic surface Green’s function approach is developed by considering the acoustic near field and distributed effective shear force along the interfacial boundary between the mass and the membrane. The accuracy and capability of the theoretical model is verified through comparison with the finite element method. In particular, sound absorption, acoustic-electric energy conversion, and harvesting coefficient are quantitatively investigated by varying the weight and size of the attached mass, prestress and thickness of the membrane. It is found that the highest achievable conversion and harvesting coefficients can reach up to 48%, and 36%, respectively. The developed model can serve as an efficient tool for designing MAM harvesters.

Segregation of chlorine in n-type tin monosulfide ceramics: Actual chlorine concentration for carrier-type conversion

NASA Astrophysics Data System (ADS)

Iguchi, Yuki; Sugiyama, Taiki; Inoue, Kazutoshi; Yanagi, Hiroshi

2018-05-01

Tin monosulfide (SnS) is an attractive material for photovoltaic cells because of its suitable band-gap energy, high absorption coefficient, and non-toxic and abundant constituent elements. The primary drawback of this material is the lack of n-type SnS. We recently demonstrated n-type SnS by doping with Cl. However, the Cl-doped n-type SnS bulk ceramics exhibited an odd behavior in which carrier-type conversion but not electron carrier concentration depended on the Cl concentration. In this study, the electron probe microanalysis (EPMA) elemental mapping of Cl-doped SnS revealed continuous homogeneous regions with a relatively low Cl concentration along with the islands of high Cl concentration in which Sn/S is far from unity. The difference between the Cl concentration in the homogeneous region (determined by EPMA) and the bulk Cl concentration (determined by wavelength-dispersive X-ray fluorescence spectroscopy) increased with the increasing Cl doping amount. The carrier concentration and the Hall coefficient clearly depended on the Cl concentration in the homogeneous region. Carrier-type conversion was observed at the Cl concentration of 0.26 at. % (in the homogeneous region).

Dielectronic and Trielectronic Recombination Rate Coefficients of Be-like Ar14+

NASA Astrophysics Data System (ADS)

Huang, Z. K.; Wen, W. Q.; Xu, X.; Mahmood, S.; Wang, S. X.; Wang, H. B.; Dou, L. J.; Khan, N.; Badnell, N. R.; Preval, S. P.; Schippers, S.; Xu, T. H.; Yang, Y.; Yao, K.; Xu, W. Q.; Chuai, X. Y.; Zhu, X. L.; Zhao, D. M.; Mao, L. J.; Ma, X. M.; Li, J.; Mao, R. S.; Yuan, Y. J.; Wu, B.; Sheng, L. N.; Yang, J. C.; Xu, H. S.; Zhu, L. F.; Ma, X.

2018-03-01

Electron–ion recombination of Be-like 40Ar14+ has been measured by employing the electron–ion merged-beams method at the cooler storage ring CSRm. The measured absolute recombination rate coefficients for collision energies from 0 to 60 eV are presented, covering all dielectronic recombination (DR) resonances associated with 2s 2 → 2s2p core transitions. In addition, strong trielectronic recombination (TR) resonances associated with 2s 2 → 2p 2 core transitions were observed. Both DR and TR processes lead to series of peaks in the measured recombination spectrum, which have been identified by the Rydberg formula. Theoretical calculations of recombination rate coefficients were performed using the state-of-the-art multi-configuration Breit–Pauli atomic structure code AUTOSTRUCTURE to compare with the experimental results. The plasma rate coefficients for DR+TR of Ar14+ were deduced from the measured electron–ion recombination rate coefficients in the temperature range from 103 to 107 K, and compared with calculated data from the literature. The experimentally derived plasma rate coefficients are 60% larger and 30% lower than the previously recommended atomic data for the temperature ranges of photoionized plasmas and collisionally ionized plasmas, respectively. However, good agreement was found between experimental results and the calculations by Gu and Colgan et al. The plasma rate coefficients deduced from experiment and calculated by the current AUTOSTRUCTURE code show agreement that is better than 30% from 104 to 107 K. The present results constitute a set of benchmark data for use in astrophysical modeling.

On the emission coefficient of uranium plasmas.

NASA Technical Reports Server (NTRS)

Schneider, R. T.; Campbell, H. D.; Mack, J. M.

1973-01-01

The emission coefficient for uranium plasmas (temperature: 8000 K) was measured for the wavelength range from 1200 to 6000 A. The results were compared to theoretical calculations and other measurements. Reasonable agreement between theoretical predictions and our measurements was found in the region from 1200 to 2000 A. Although it was difficult to make absolute comparisons among the different reported measurements, considerable disagreement was found for the higher wavelength region. A short discussion regarding the overall comparisons is given, and final suggestions are made as to the most appropriate emission coefficient values to be used in future design calculations. The absorption coefficient for the same wavelength interval is also reported.

Carbon nanotube/polymer composite coated tapered fiber for four wave mixing based wavelength conversion.

PubMed

Xu, Bo; Omura, Mika; Takiguchi, Masato; Martinez, Amos; Ishigure, Takaaki; Yamashita, Shinji; Kuga, Takahiro

2013-02-11

In this paper, we demonstrate a nonlinear optical device based on a fiber taper coated with a carbon nanotube (CNT)/polymer composite. Using this device, four wave mixing (FWM) based wavelength conversion of 10 Gb/s Non-return-to-zero signal is achieved. In addition, we investigate wavelength tuning, two photon absorption and estimate the effective nonlinear coefficient of the CNTs embedded in the tapered fiber to be 1816.8 W(-1)km(-1).

Computational Chemical Kinetics for the Reaction of Criegee Intermediate CH2OO with HNO3 and Its Catalytic Conversion to OH and HCO.

PubMed

Raghunath, P; Lee, Yuan-Pern; Lin, M C

2017-05-25

The kinetics and mechanisms for the reaction of the Criegee intermediate CH 2 OO with HNO 3 and the unimolecular decomposition of its reaction product CH 2 (O)NO 3 are important in atmospheric chemistry. The potential-energy profile of the reactions predicted with the CCSD(T)/aug-cc-pVTZ//B3LYP/aug-cc-pVTZ method shows that the initial association yields a prereaction complex that isomerizes by H migration to yield excited intermediate nitrooxymethyl hydroperoxide NO 3 CH 2 OOH* with internal energy ∼44 kcal mol -1 . A fragmentation of this excited intermediate produces CH 2 (O)NO 3 + OH with its transition state located 5.0 kcal mol -1 below that of the reactants. Further decomposition of CH 2 (O)NO 3 produces HCO + HNO 3 , forming a catalytic cycle for destruction of CH 2 OO by HNO 3 . The rate coefficients and product-branching ratios were calculated in the temperature range 250-700 K at pressure 20-760 Torr (N 2 ) using the variational-transition-state and Rice-Ramsperger-Kassel-Marcus (RRKM) theories. The predicted total rate coefficient for reaction CH 2 OO + HNO 3 at 295 K, 5.1 × 10 -10 cm 3 molecule -1 s -1 , agrees satisfactorily with the experimental value, (5.4 ± 1.0) × 10 -10 cm 3 molecule -1 s -1 . The predicted branching ratios at 295 K are 0.21 for the formation of NO 3 CH 2 OOH and 0.79 for CH 2 (O)NO 3 + OH at a pressure of 40 Torr (N 2 ), and 0.79 for the formation of NO 3 CH 2 OOH and 0.21 for CH 2 (O)NO 3 + OH at 760 Torr (N 2 ). This new catalytic conversion of CH 2 OO to HCO + OH by HNO 3 might have significant impact on atmospheric chemistry.

TU-H-CAMPUS-IeP1-03: Comparison of Monte Carlo Simulation and Conversion Factor Based Method On Estimation of Effective Dose in Pediatric Patients Undergoing Interventional Cardiac Procedures

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

Leung, K; Wong, M; Ng, Y

Purpose: Interventional cardiac procedures utilize frequent fluoroscopy and cineangiography, which impose considerable radiation risk to patients, especially pediatric patients. Accurate calculation of effective dose is important in order to estimate cancer risk over the rest of their lifetime. This study evaluates the difference in effective dose calculated by Monte Carlo simulation with those estimated by locally-derived conversion factors (CF-local) and by commonly quoted conversion factors from Karambatsakidou et al (CF-K). Methods: Effective dose (E),of 12 pediatric patients, age between 2.5–19 years old, who had undergone interventional cardiac procedures, were calculated using PCXMC-2.0 software. Tube spectrum, irradiation geometry, exposure parameters andmore » dose-area product (DAP) of each projection were included in the software calculation. Effective doses for each patient were also estimated by two Methods: 1) CF-local: conversion factor derived locally by generalizing results of 12 patients, multiplied by DAP of each patient gives E-local. 2) CF-K: selected factor from above-mentioned literature, multiplied by DAP of each patient gives E-K. Results: Mean of E, E-local and E-K were 16.01 mSv, 16.80 mSv and 22.25 mSv respectively. A deviation of −29.35% to +34.85% between E and E-local, while a greater deviation of −28.96% to +60.86% between E and EK were observed. E-K overestimated the effective dose for patients at age 7.5–19. Conclusion: Effective dose obtained by conversion factors is simple and quick to estimate radiation risk of pediatric patients. This study showed that estimation by CF-local may bear an error of 35% when compared with Monte Carlo calculation. If using conversion factors derived by other studies may result in an even greater error, of up to 60%, due to factors that are not catered for in the estimation, including patient size, projection angles, exposure parameters, tube filtration, etc. Users must be aware of these potential inaccuracies when simple conversion method is employed.« less

Analysis of the attainable efficiency of a direct-bandgap betavoltaic element

NASA Astrophysics Data System (ADS)

Sachenko, A. V.; Shkrebtii, A. I.; Korkishko, R. M.; Kostylyov, V. P.; Kulish, M. R.; Sokolovskyi, I. O.; Evstigneev, M.

2015-11-01

Conversion of energy of beta-particles into electric energy in a p-n junction based on direct-bandgap semiconductors, such as GaAs, is analyzed considering realistic semiconductor system parameters. An expression for the collection coefficient, Q, of the electron-hole pairs generated by beta-electrons is derived taking into account the existence of the dead layer. We show that the collection coefficient of beta-electrons emitted by a 3H-source to a GaAs p-n junction is close to 1 in a broad range of electron lifetimes in the junction, ranging from 10-9to 10-7 s. For the combination 147Pm/GaAs, Q is relatively large (≥slant 0.4) only for quite long lifetimes (about 10-7 s) and large thicknesses (about 100 μm) of GaAs p-n junctions. For realistic lifetimes of minority carriers and their diffusion coefficients, the open-circuit voltage realized due to the irradiation of a GaAs p-n junction by beta-particles is obtained. The attainable beta-conversion efficiency η in the case of a 3H/GaAs combination is found to exceed that of the 147Pm/GaAs combination.

Role of chemically and thermally induced crystal lattice distortion in enhancing the Seebeck coefficient in complex tellurides

DOE PAGES

Levin, E. M.; Iowa State Univ., Ames, IA; Kramer, M. J.; ...

2016-07-14

Composition and crystal structure of complex materials can significantly change the Seebeck effect, i.e., heat to electrical energy conversion, which is utilized in thermoelectric materials. Despite decades of studies of various thermoelectric materials and their application, the fundamental understanding of this effect still is limited. One of the most efficient groups of thermoelectric materials is based on GeTe, where Ge is replaced by [Ag + Sb], i.e., Ag xSb xGe 50-2xTe 50 alloys, traditionally shown as (GeTe) m(AgSbTe 2) 100-m (TAGS-m series). Here, in this article, we report on the discovery of two unique phenomena in TAGS materials attributed tomore » the effects from [Ag + Sb] atoms: (i) a linear relation between the Seebeck coefficient and rhombohedral lattice distortion, and (ii) resonance-like temperature-induced behavior of the contribution to the Seebeck coefficient produced by [Ag + Sb] atoms. Finally, our findings show that heat to electrical energy conversion strongly depends on the temperature- and compositionally-induced rhombohedral to cubic transformation where [Ag + Sb] atoms play a crucial mediating role.« less

Effects Of Suspension-Line Damping On LADT #3 And Supersonic BLDT Parachute Inflation Dynamics

NASA Technical Reports Server (NTRS)

Poole, Lamont R.

1972-01-01

A two-body computerized mathematical model is used to calculate planar dynamics of the LADT #3 and supersonic BLDT parachute inflations. Results indicate that the calculated loads and motions of the LADT #3 inflation are not affected appreciably by variation in the suspension-line damping coefficient. However, variation of the coefficient results in significant changes in the calculated loads and strain rates of the supersonic BLDT inflation.

Einstein coefficients for rotational lines of the (0,0) band of the NO A2sigma(+)-X2Pi system

NASA Technical Reports Server (NTRS)

Reisel, John R.; Carter, Campbell D.; Laurendeau, Normand M.

1992-01-01

A summary of the spectroscopic equations necessary for prediction of the molecular transition energies and the Einstein A and B coefficients for rovibronic lines of the gamma(0,0) band of nitric oxide (NO) is presented. The calculated molecular transition energies are all within 0.57/cm of published experimental values; in addition, over 95 percent of the calculated energies give agreement with measured results within 0.25/cm. Einstein coefficients are calculated from the band A00 value and the known Hoenl-London factors and are tabulated for individual rovibronic transitions in the NO A2sigma(+)-X2Pi(0,0) band.

Calculation of the Ionization Coefficient in the Townsend Discharge in the Mixture of Argon and Mercury Vapors with Temperature-Dependent Composition

NASA Astrophysics Data System (ADS)

Bondarenko, G. G.; Dubinina, M. S.; Fisher, M. R.; Kristya, V. I.

2018-04-01

For a hybrid model of the low-current discharge considering, along with direct ionization of the mixture components by electrons, the Penning ionization of mercury atoms by metastable argon atoms, the ionization coefficient in the argon-mercury mixture used in illuminating lamps is calculated. The analytical approximation formula describing the dependence of the ionization coefficient of the mixture on the reduced electric field strength and temperature is obtained for sufficiently wide ranges of their variations, and its accuracy is estimated. It is demonstrated that the discharge ignition voltage calculated using this formula is in agreement with the results of simulation and the available experimental data.

Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste.

PubMed

Salanne, Mathieu; Simon, Christian; Turq, Pierre; Madden, Paul A

2008-01-31

The ability to separate fission products by electrodeposition from molten salts depends, in part, on differences between the interactions of the different fission product cations with the ions present in the molten salt "solvent". These differences may be expressed as ratios of activity coefficients, which depend on the identity of the solvent and other factors. Here, we demonstrate the ability to calculate these activity coefficient ratios using molecular dynamics simulations with sufficient precision to guide the choice of suitable solvent systems in practical applications. We use polarizable ion interaction potentials which have previously been shown to give excellent agreement with structural, transport, and spectroscopic information of the molten salts, and the activity coefficients calculated in this work agree well with experimental data. The activity coefficients are shown to vary systematically with cation size for a set of trivalent cations.

Comparison of monoenergetic photon organ dose rate coefficients for stylized and voxel phantoms submerged in air

DOE PAGES

Bellamy, Michael B.; Hiller, Mauritius M.; Dewji, Shaheen A.; ...

2016-02-01

As part of a broader effort to calculate effective dose rate coefficients for external exposure to photons and electrons emitted by radionuclides distributed in air, soil or water, age-specific stylized phantoms have been employed to determine dose coefficients relating dose rate to organs and tissues in the body. In this article, dose rate coefficients computed using the International Commission on Radiological Protection reference adult male voxel phantom are compared with values computed using the Oak Ridge National Laboratory adult male stylized phantom in an air submersion exposure geometry. Monte Carlo calculations for both phantoms were performed for monoenergetic source photonsmore » in the range of 30 keV to 5 MeV. Furthermore, these calculations largely result in differences under 10 % for photon energies above 50 keV, and it can be expected that both models show comparable results for the environmental sources of radionuclides.« less

Comparison of monoenergetic photon organ dose rate coefficients for stylized and voxel phantoms submerged in air

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

Bellamy, Michael B.; Hiller, Mauritius M.; Dewji, Shaheen A.

As part of a broader effort to calculate effective dose rate coefficients for external exposure to photons and electrons emitted by radionuclides distributed in air, soil or water, age-specific stylized phantoms have been employed to determine dose coefficients relating dose rate to organs and tissues in the body. In this article, dose rate coefficients computed using the International Commission on Radiological Protection reference adult male voxel phantom are compared with values computed using the Oak Ridge National Laboratory adult male stylized phantom in an air submersion exposure geometry. Monte Carlo calculations for both phantoms were performed for monoenergetic source photonsmore » in the range of 30 keV to 5 MeV. Furthermore, these calculations largely result in differences under 10 % for photon energies above 50 keV, and it can be expected that both models show comparable results for the environmental sources of radionuclides.« less

Predicted and measured retinal nerve fiber layer thickness from time-domain optical coherence tomography compared with spectral-domain optical coherence tomography.

PubMed

Schrems, Wolfgang A; Schrems-Hoesl, Laura M; Bendschneider, Delia; Mardin, Christian Y; Laemmer, Robert; Kruse, Friedrich E; Horn, Folkert K

2015-10-01

New methods are needed to compare peripapillary retinal nerve fiber layer thickness (pRNFLT) measurements taken from time-domain optical coherence tomography (TD-OCT) and spectral-domain OCT (SD-OCT). To compare the agreement of measured and predicted pRNFLT using different equations based on pRNFLT measurements obtained by TD-OCT and SD-OCT. Cross-sectional single-center study that took place at the Department of Ophthalmology, University of Erlangen-Nuremberg from November 16, 2005, to June 3, 2015, and included 138 eyes of control participants, 126 eyes of patients with ocular hypertension, 128 eyes of patients with preperimetric glaucoma, and 160 eyes of patients with perimetric glaucoma. All participants had standard clinical examinations to obtain TD-OCT (via Stratus OCT) and SD-OCT (via Spectralis OCT) measurements of pRNFLT. Two groups were matched for diagnostic subgroup, eye side, sex, and age. The TD-OCT measurements of the first group were used to predict the mean SD-OCT and 6-sector vertical-split pRNFLT measurements of the second group and vice versa. The agreement between the predicted pRNFLT calculations of conversion equations and measured pRNFLT of the second group was evaluated by intraclass correlation coefficients and Bland-Altman plots. Mean and sectoral pRNFLT measurements obtained by TD-OCT and SD-OCT as well as the agreement between measured and predicted pRNFLT. The agreement for all investigated equations to predict mean pRNFLT measurements with intraclass correlation coeffecients ranged from 0.937 to 0.939. Bland-Altman plots demonstrated systemic biases between -0.7 μm and +1.1 μm for measured and predicted mean pRNFLT measurements. The ratio method demonstrated an intraclass correlation coefficient of 0.969 for the temporal-inferior sector. The best color-code agreement between both OCT devices was achieved by the no conversion method, with κ = 0.731 (95% CI, 0.656-0.806) for the mean pRNFLT. These data suggest that the prediction of mean pRNFLT values by equations derived from TD-OCT and SD-OCT can be conducted with high levels of agreement. In individual cases and singular sectors, high prediction errors may occur. When longitudinal imaging data from both TD-OCT and SD-OCT are available, conversion equations may provide longitudinal comparability.

Aqueous phase preparation of ultrasmall MoSe2 nanodots for efficient photothermal therapy of cancer cells

NASA Astrophysics Data System (ADS)

Yuwen, Lihui; Zhou, Jiajia; Zhang, Yuqian; Zhang, Qi; Shan, Jingyang; Luo, Zhimin; Weng, Lixing; Teng, Zhaogang; Wang, Lianhui

2016-01-01

Photothermal therapy (PTT) is a promising cancer treatment with both high effectiveness and fewer side effects. However, an ideal PTT agent not only needs strong absorption of near-infrared (NIR) light and high photothermal conversion efficiency, but also needs good biocompatibility, stability, and small size, which makes the design and preparation of a novel PTT agent a great challenge. In this work, we developed an ultrasonication-assisted liquid exfoliation method for the direct preparation of ultrasmall (2-3 nm) MoSe2 nanodots (NDs) in aqueous solution and demonstrated their superior properties as a PTT agent. The as-prepared MoSe2 NDs have strong absorption of NIR light and high photothermal conversion efficiency of about 46.5%. In vitro cellular experiments demonstrate that MoSe2 NDs have negligible cytotoxicity and can efficiently kill HeLa cells (human cervical cell line) under NIR laser (785 nm) irradiation.Photothermal therapy (PTT) is a promising cancer treatment with both high effectiveness and fewer side effects. However, an ideal PTT agent not only needs strong absorption of near-infrared (NIR) light and high photothermal conversion efficiency, but also needs good biocompatibility, stability, and small size, which makes the design and preparation of a novel PTT agent a great challenge. In this work, we developed an ultrasonication-assisted liquid exfoliation method for the direct preparation of ultrasmall (2-3 nm) MoSe2 nanodots (NDs) in aqueous solution and demonstrated their superior properties as a PTT agent. The as-prepared MoSe2 NDs have strong absorption of NIR light and high photothermal conversion efficiency of about 46.5%. In vitro cellular experiments demonstrate that MoSe2 NDs have negligible cytotoxicity and can efficiently kill HeLa cells (human cervical cell line) under NIR laser (785 nm) irradiation. Electronic supplementary information (ESI) available: Characterization, size distribution and EDS spectrum of MoSe2 NDs, calculation of the extinction coefficient and photothermal conversion efficiency of MoSe2 NDs. See DOI: 10.1039/c5nr08166a

Transfer having a coupling coefficient higher than its active material

NASA Technical Reports Server (NTRS)

Lesieutre, George A. (Inventor); Davis, Christopher L. (Inventor)

2001-01-01

A coupling coefficient is a measure of the effectiveness with which a shape-changing material (or a device employing such a material) converts the energy in an imposed signal to useful mechanical energy. Device coupling coefficients are properties of the device and, although related to the material coupling coefficients, are generally different from them. This invention describes a class of devices wherein the apparent coupling coefficient can, in principle, approach 1.0, corresponding to perfect electromechanical energy conversion. The key feature of this class of devices is the use of destabilizing mechanical pre-loads to counter inherent stiffness. The approach is illustrated for piezoelectric and thermoelectrically actuated devices. The invention provides a way to simultaneously increase both displacement and force, distinguishing it from alternatives such as motion amplification, and allows transducer designers to achieve substantial performance gains for actuator and sensor devices.

VizieR Online Data Catalog: Flux conversion factors for the Swift/UVOT filters (Brown+, 2016)

NASA Astrophysics Data System (ADS)

Brown, P. J.; Breeveld, A.; Roming, P. W. A.; Siegel, M.

2016-10-01

The conversion of observed magnitudes (or the actual observed photon or electron count rates) to a flux density is one of the most fundamental calculations. The flux conversions factors for the six Swift/UVOT filters are tabulated in Table1. (1 data file).

OLIFE: Tight Binding Code for Transmission Coefficient Calculation

NASA Astrophysics Data System (ADS)

Mijbil, Zainelabideen Yousif

2018-05-01

A new and human friendly transport calculation code has been developed. It requires a simple tight binding Hamiltonian as the only input file and uses a convenient graphical user interface to control calculations. The effect of magnetic field on junction has also been included. Furthermore the transmission coefficient can be calculated between any two points on the scatterer which ensures high flexibility to check the system. Therefore Olife can highly be recommended as an essential tool for pretesting studying and teaching electron transport in molecular devices that saves a lot of time and effort.

Use of Subsonic Kernel Function in an Influence-Coefficient Method of Aeroelastic Analysis and some Comparisons with Experiment

NASA Technical Reports Server (NTRS)

Sewall, John L.; Herr, Robert W.; Watkins, Charles E.

1960-01-01

This paper illustrates the development and application of an influence-coefficient method of analysis for calculating the response of a flexible wing in an airstream to an oscillating disturbing force and for treating such aeroelastic instabilities as flutter and divergence. Aerodynamic coefficients are derived on the basis of lifting - surface theory for subsonic compressible flow by use of the method presented in NASA Technical Report R-48. Application of the analysis is made to a uniform cantilever wing- tip tank configuration for which responses to a sinusoidal disturbing force and flutter speeds were measured over a range of subsonic Mach numbers and densities. Calculated responses and flutter speeds based on flexibility influence coefficients measured at nine stations are in good agreement with experiment, provided the aerodynamic load is distributed over the wing so that local centers of pressure very nearly coincide with these nine influence stations. The use of experimental values of bending and torsional structural damping coefficients in the analysis generally improved the agreement between calculated and experimental responses. Some calculations were made to study the effects on density on responses near the flutter conditions, and linear response trends were obtained over a wide range of densities.

Capture and dissociation in the complex-forming CH + H2 → CH2 + H, CH + H2 reactions.

PubMed

González, Miguel; Saracibar, Amaia; Garcia, Ernesto

2011-02-28

The rate coefficients for the capture process CH + H(2)→ CH(3) and the reactions CH + H(2)→ CH(2) + H (abstraction), CH + H(2) (exchange) have been calculated in the 200-800 K temperature range, using the quasiclassical trajectory (QCT) method and the most recent global potential energy surface. The reactions, which are of interest in combustion and in astrochemistry, proceed via the formation of long-lived CH(3) collision complexes, and the three H atoms become equivalent. QCT rate coefficients for capture are in quite good agreement with experiments. However, an important zero point energy (ZPE) leakage problem occurs in the QCT calculations for the abstraction, exchange and inelastic exit channels. To account for this issue, a pragmatic but accurate approach has been applied, leading to a good agreement with experimental abstraction rate coefficients. Exchange rate coefficients have also been calculated using this approach. Finally, calculations employing QCT capture/phase space theory (PST) models have been carried out, leading to similar values for the abstraction rate coefficients as the QCT and previous quantum mechanical capture/PST methods. This suggests that QCT capture/PST models are a good alternative to the QCT method for this and similar systems.

Comparison of aerodynamic coefficients obtained from theoretical calculations wind tunnel tests and flight tests data reduction for the alpha jet aircraft

NASA Technical Reports Server (NTRS)

Guiot, R.; Wunnenberg, H.

1980-01-01

The methods by which aerodynamic coefficients are determined and discussed. These include: calculations, wind tunnel experiments and experiments in flight for various prototypes of the Alpha Jet. A comparison of obtained results shows good correlation between expectations and in-flight test results.

Quantum close coupling calculation of transport and relaxation properties for Hg-H2 system

NASA Astrophysics Data System (ADS)

Nemati-Kande, Ebrahim; Maghari, Ali

2016-11-01

Quantum mechanical close coupling calculation of the state-to-state transport and relaxation cross sections have been done for Hg-H2 molecular system using a high-level ab initio potential energy surface. Rotationally averaged cross sections were also calculated to obtain the energy dependent Senftleben-Beenakker cross sections at the energy range of 0.005-25,000 cm-1. Boltzmann averaging of the energy dependent Senftleben-Beenakker cross sections showed the temperature dependency over a wide temperature range of 50-2500 K. Interaction viscosity and diffusion coefficients were also calculated using close coupling cross sections and full classical Mason-Monchick approximation. The results were compared with each other and with the available experimental data. It was found that Mason-Monchick approximation for viscosity is more reliable than diffusion coefficient. Furthermore, from the comparison of the experimental diffusion coefficients with the result of the close coupling and Mason-Monchick approximation, it was found that the Hg-H2 potential energy surface used in this work can reliably predict diffusion coefficient data.

Measurement of the mass energy-absorption coefficient of air for x-rays in the range from 3 to 60 keV.

PubMed

Buhr, H; Büermann, L; Gerlach, M; Krumrey, M; Rabus, H

2012-12-21

For the first time the absolute photon mass energy-absorption coefficient of air in the energy range of 10 to 60 keV has been measured with relative standard uncertainties below 1%, considerably smaller than those of up to 2% assumed for calculated data. For monochromatized synchrotron radiation from the electron storage ring BESSY II both the radiant power and the fraction of power deposited in dry air were measured using a cryogenic electrical substitution radiometer and a free air ionization chamber, respectively. The measured absorption coefficients were compared with state-of-the art calculations and showed an average deviation of 2% from calculations by Seltzer. However, they agree within 1% with data calculated earlier by Hubbell. In the course of this work, an improvement of the data analysis of a previous experimental determination of the mass energy-absorption coefficient of air in the range of 3 to 10 keV was found to be possible and corrected values of this preceding study are given.

Determination of the Rate Coefficients of the SO2 plus O plus M yields SO3 plus M Reaction

NASA Technical Reports Server (NTRS)

Hwang, S. M.; Cooke, J. A.; De Witt, K. J.; Rabinowitz, M. J.

2010-01-01

Rate coefficients of the title reaction R(sub 31) (SO2 +O+M yields SO3 +M) and R(sub 56) (SO2 + HO2 yields SO3 +OH), important in the conversion of S(IV) to S(VI),were obtained at T =970-1150 K and rho (sub ave) = 16.2 micro mol/cubic cm behind reflected shock waves by a perturbation method. Shock-heated H2/ O2/Ar mixtures were perturbed by adding small amounts of SO2 (1%, 2%, and 3%) and the OH temporal profiles were then measured using laser absorption spectroscopy. Reaction rate coefficients were elucidated by matching the characteristic reaction times acquired from the individual experimental absorption profiles via simultaneous optimization of k(sub 31) and k(sub 56) values in the reaction modeling (for satisfactory matches to the observed characteristic times, it was necessary to take into account R(sub 56)). In the experimental conditions of this study, R(sub 31) is in the low-pressure limit. The rate coefficient expressions fitted using the combined data of this study and the previous experimental results are k(sub 31,0)/[Ar] = 2.9 10(exp 35) T(exp ?6.0) exp(?4780 K/T ) + 6.1 10(exp 24) T(exp ?3.0) exp(?1980 K/T ) cm(sup 6) mol(exp ?2)/ s at T = 300-2500 K; k(sub 56) = 1.36 10(exp 11) exp(?3420 K/T ) cm(exp 3)/mol/s at T = 970-1150 K. Computer simulations of typical aircraft engine environments, using the reaction mechanism with the above k(sub 31,0) and k(sub 56) expressions, gave the maximum S(IV) to S(VI) conversion yield of ca. 3.5% and 2.5% for the constant density and constant pressure flow condition, respectively. Moreover, maximum conversions occur at rather higher temperatures (?1200 K) than that where the maximum k(sub 31,0) value is located (approximately 800 K). This is because the conversion yield is dependent upon not only the k(sup 31,0) and k(sup 56) values (production flux) but also the availability of H, O, and HO2 in the system (consumption flux).

Impact of the new nuclear decay data of ICRP publication 107 on inhalation dose coefficients for workers

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

Manabe, K.; Endo, Akira; Eckerman, Keith F

2010-03-01

The impact a revision of nuclear decay data had on dose coefficients was studied using data newly published in ICRP Publication 107 (ICRP 107) and existing data from ICRP Publication 38 (ICRP 38). Committed effective dose coefficients for occupational inhalation of radionuclides were calculated using two sets of decay data with the dose and risk calculation software DCAL for 90 elements, 774 nuclides and 1572 cases. The dose coefficients based on ICRP 107 increased by over 10 % compared with those based on ICRP 38 in 98 cases, and decreased by over 10 % in 54 cases. It was foundmore » that the differences in dose coefficients mainly originated from changes in the radiation energy emitted per nuclear transformation. In addition, revisions of the half-lives, radiation types and decay modes also resulted in changes in the dose coefficients.« less

Thermodynamic equilibrium calculations of dimethyl ether steam reforming and dimethyl ether hydrolysis

NASA Astrophysics Data System (ADS)

Semelsberger, Troy A.; Borup, Rodney L.

The production of a hydrogen-rich fuel-cell feed by dimethyl ether (DME) steam reforming was investigated using calculations of thermodynamic equilibrium as a function of steam-to-carbon ratio (0.00-4.00), temperature (100-600 °C), pressure (1-5 atm), and product species. Species considered were acetone, acetylene, carbon dioxide, carbon monoxide, dimethyl ether, ethane, ethanol, ethylene, formaldehyde, formic acid, hydrogen, isopropanol, methane, methanol, methyl-ethyl ether, n-propanol and water. Thermodynamic equilibrium calculations of DME steam reforming indicate complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide at temperatures greater than 200 °C and steam-to-carbon ratios greater than 1.25 at atmospheric pressure ( P = 1 atm). Increasing the operating pressure shifts the equilibrium toward the reactants; increasing the pressure from 1 to 5 atm decreases the conversion of dimethyl ether from 99.5 to 76.2%. The trend of thermodynamically stable products in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol, methyl-ethyl ether and methanol-formaldehyde, formic acid, and acetylene were not observed. Based on the equilibrium calculations, the optimal processing conditions for dimethyl ether steam reforming occur at a steam-to-carbon ratio of 1.50, a pressure of 1 atm, and a temperature of 200 °C. These thermodynamic equilibrium calculations show dimethyl ether processed with steam will produce hydrogen-rich fuel-cell feeds—with hydrogen concentrations exceeding 70%. The conversion of dimethyl ether via hydrolysis (considering methanol as the only product) is limited by thermodynamic equilibrium. Equilibrium conversion increases with temperature and steam-to-carbon ratio. A maximum dimethyl ether conversion of 62% is achieved at a steam-to-carbon ratio of 5.00 and a processing temperature of 600 °C.

Data on inelastic processes in low-energy potassium-hydrogen and rubidium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Yakovleva, S. A.; Barklem, P. S.; Belyaev, A. K.

2018-01-01

Two sets of rate coefficients for low-energy inelastic potassium-hydrogen and rubidium-hydrogen collisions were computed for each collisional system based on two model electronic structure calculations, performed by the quantum asymptotic semi-empirical and the quantum asymptotic linear combinations of atomic orbitals (LCAO) approaches, followed by quantum multichannel calculations for the non-adiabatic nuclear dynamics. The rate coefficients for the charge transfer (mutual neutralization, ion-pair formation), excitation and de-excitation processes are calculated for all transitions between the five lowest lying covalent states and the ionic states for each collisional system for the temperature range 1000-10 000 K. The processes involving higher lying states have extremely low rate coefficients and, hence, are neglected. The two model calculations both single out the same partial processes as having large and moderate rate coefficients. The largest rate coefficients correspond to the mutual neutralization processes into the K(5s 2S) and Rb(4d 2D) final states and at temperature 6000 K have values exceeding 3 × 10-8 cm3 s-1 and 4 × 10-8 cm3 s-1, respectively. It is shown that both the semi-empirical and the LCAO approaches perform equally well on average and that both sets of atomic data have roughly the same accuracy. The processes with large and moderate rate coefficients are likely to be important for non-LTE modelling in atmospheres of F, G and K-stars, especially metal-poor stars.

Polarizability calculations on water, hydrogen, oxygen, and carbon dioxide

NASA Technical Reports Server (NTRS)

Nir, S.; Adams, S.; Rein, R.

1973-01-01

A semiclassical model of damped oscillators is used as a basis for the calculation of the dispersion of the refractive index, polarizability, and dielectric permeability in water, hydrogen, and oxygen in liquid and gaseous states, and in gaseous carbon dioxide. The absorption coefficient and the imaginary part of the refractive index are also calculated at corresponding wavelengths. A good agreement is obtained between the observed and calculated values of refractive indices, and between those of absorption coefficients in the region of absorption bands. The calculated values of oscillator strengths and damping factors are also discussed. The value of the polarizability of liquid water was about 2.8 times that of previous calculations.

Conversion of para and ortho hydrogen in the Jovian planets

NASA Technical Reports Server (NTRS)

Massie, S. T.; Hunten, D. M.

1982-01-01

A mechanism is proposed which partially equilibrates the para and ortho rotational levels of molecular hydrogen in the atmospheres of Jupiter, Saturn, and Uranus. Catalytic reactions between the free-radical surface sites of aerosol particles and hydrogen modecules yield significant equilibration near 1 bar pressure, if the efficiency of conversion per collision is between 10 to the -8th and 10 to the -10th and the effective eddy mixing coefficient is 10,000 sq cm/sec. At lower pressures the ortho-para ratio retains the value at the top of the cloud layer, except for a very small effect from conversion in the thermosphere. The influence of conversion on the specific heat and adiabatic lapse rate is also investigated. The effect is found to be generally small, though is can rise to 10% inside the aerosol layer.

Efficient tiled calculation of over-10-gigapixel holograms using ray-wavefront conversion.

PubMed

Igarashi, Shunsuke; Nakamura, Tomoya; Matsushima, Kyoji; Yamaguchi, Masahiro

2018-04-16

In the calculation of large-scale computer-generated holograms, an approach called "tiling," which divides the hologram plane into small rectangles, is often employed due to limitations on computational memory. However, the total amount of computational complexity severely increases with the number of divisions. In this paper, we propose an efficient method for calculating tiled large-scale holograms using ray-wavefront conversion. In experiments, the effectiveness of the proposed method was verified by comparing its calculation cost with that using the previous method. Additionally, a hologram of 128K × 128K pixels was calculated and fabricated by a laser-lithography system, and a high-quality 105 mm × 105 mm 3D image including complicated reflection and translucency was optically reconstructed.

Theoretical calculation of coherent Laue-case conversion between x-rays and ALPs for an x-ray light-shining-through-a-wall experiment

NASA Astrophysics Data System (ADS)

Yamaji, T.; Yamazaki, T.; Tamasaku, K.; Namba, T.

2017-12-01

Single crystals have high atomic electric fields as much as 1 011 V /m , which correspond to magnetic fields of ˜103 T . These fields can be utilized to convert x-rays into axionlike particles (ALPs) coherently similar to x-ray diffraction. In this paper, we perform the first theoretical calculation of the Laue-case conversion in crystals based on the Darwin dynamical theory of x-ray diffraction. The calculation shows that the Laue-case conversion has longer interaction length than the Bragg case, and that ALPs in the keV range can be resonantly converted by tuning an incident angle of x-rays. ALPs with mass up to O (10 keV ) can be searched by light-shining-through-a-wall (LSW) experiments at synchrotron x-ray facilities.

Image analysis and green tea color change kinetics during thin-layer drying.

PubMed

Shahabi, Mohammad; Rafiee, Shahin; Mohtasebi, Seyed Saeid; Hosseinpour, Soleiman

2014-09-01

This study was conducted to investigate the effect of air temperature and air flow velocity on kinetics of color parameter changes during hot-air drying of green tea, to obtain the best model for hot-air drying of green tea, to apply a computer vision system and to study the color changes during drying. In the proposed computer vision system system, at first RGB values of the images were converted into XYZ values and then to Commission International d'Eclairage L*a*b* color coordinates. The obtained color parameters of L*, a* and b* were calibrated with Hunter-Lab colorimeter. These values were also used for calculation of the color difference, chroma, hue angle and browning index. The values of L* and b* decreased, while the values of a* and color difference (ΔE*ab ) increased during hot-air drying. Drying data were fitted to three kinetic models. Zero, first-order and fractional conversion models were utilized to describe the color changes of green tea. The suitability of fitness was determined using the coefficient of determination (R (2)) and root-mean-square error. Results showed that the fraction conversion model had more acceptable fitness than the other two models in most of color parameters. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Effects of mechanical deformation on energy conversion efficiency of piezoelectric nanogenerators.

PubMed

Yoo, Jinho; Cho, Seunghyeon; Kim, Wook; Kwon, Jang-Yeon; Kim, Hojoong; Kim, Seunghyun; Chang, Yoon-Suk; Kim, Chang-Wan; Choi, Dukhyun

2015-07-10

Piezoelectric nanogenerators (PNGs) are capable of converting energy from various mechanical sources into electric energy and have many attractive features such as continuous operation, replenishment and low cost. However, many researchers still have studied novel material synthesis and interfacial controls to improve the power production from PNGs. In this study, we report the energy conversion efficiency (ECE) of PNGs dependent on mechanical deformations such as bending and twisting. Since the output power of PNGs is caused by the mechanical strain of the piezoelectric material, the power production and their ECE is critically dependent on the types of external mechanical deformations. Thus, we examine the output power from PNGs according to bending and twisting. In order to clearly understand the ECE of PNGs in the presence of those external mechanical deformations, we determine the ECE of PNGs by the ratio of output electrical energy and input mechanical energy, where we suggest that the input energy is based only on the strain energy of the piezoelectric layer. We calculate the strain energy of the piezoelectric layer using numerical simulation of bending and twisting of the PNG. Finally, we demonstrate that the ECE of the PNG caused by twisting is much higher than that caused by bending due to the multiple effects of normal and lateral piezoelectric coefficients. Our results thus provide a design direction for PNG systems as high-performance power generators.

Boron diffusion in bcc-Fe studied by first-principles calculations

NASA Astrophysics Data System (ADS)

Xianglong, Li; Ping, Wu; Ruijie, Yang; Dan, Yan; Sen, Chen; Shiping, Zhang; Ning, Chen

2016-03-01

The diffusion mechanism of boron in bcc-Fe has been studied by first-principles calculations. The diffusion coefficients of the interstitial mechanism, the B-monovacancy complex mechanism, and the B-divacancy complex mechanism have been calculated. The calculated diffusion coefficient of the interstitial mechanism is D0 = 1.05 × 10-7 exp (-0.75 eV/kT) m2 · s-1, while the diffusion coefficients of the B-monovacancy and the B-divacancy complex mechanisms are D1 = 1.22 × 10-6 f1 exp (-2.27 eV/kT) m2 · s-1 and D2 ≈ 8.36 × 10-6 exp (-4.81 eV/kT) m2 · s-1, respectively. The results indicate that the dominant diffusion mechanism in bcc-Fe is the interstitial mechanism through an octahedral interstitial site instead of the complex mechanism. The calculated diffusion coefficient is in accordance with the reported experiment results measured in Fe-3%Si-B alloy (bcc structure). Since the non-equilibrium segregation of boron is based on the diffusion of the complexes as suggested by the theory, our calculation reasonably explains why the non-equilibrium segregation of boron is not observed in bcc-Fe in experiments. Project supported by the National Natural Science Foundation of China (Grant No. 51276016) and the National Basic Research Program of China (Grant No. 2012CB720406).

Estimating inelastic heavy-particle - hydrogen collision data. II. Simplified model for ionic collisions and application to barium-hydrogen ionic collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-12-01

Aims: A simplified model is derived for estimating rate coefficients for inelastic processes in low-energy collisions of heavy particles with hydrogen, in particular, the rate coefficients with high and moderate values. Such processes are important for non-local thermodynamic equilibrium modeling of cool stellar atmospheres. Methods: The derived method is based on the asymptotic approach for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: It is found that the rate coefficients are expressed via statistical probabilities and reduced rate coefficients. It is shown that the reduced rate coefficients for neutralization and ion-pair formation processes depend on single electronic bound energies of an atomic particle, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to barium-hydrogen ionic collisions. For the first time, rate coefficients are evaluated for inelastic processes in Ba+ + H and Ba2+ + H- collisions for all transitions between the states from the ground and up to and including the ionic state. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/608/A33

Estimating inelastic heavy-particle-hydrogen collision data. I. Simplified model and application to potassium-hydrogen collisions

NASA Astrophysics Data System (ADS)

Belyaev, Andrey K.; Yakovleva, Svetlana A.

2017-10-01

Aims: We derive a simplified model for estimating atomic data on inelastic processes in low-energy collisions of heavy-particles with hydrogen, in particular for the inelastic processes with high and moderate rate coefficients. It is known that these processes are important for non-LTE modeling of cool stellar atmospheres. Methods: Rate coefficients are evaluated using a derived method, which is a simplified version of a recently proposed approach based on the asymptotic method for electronic structure calculations and the Landau-Zener model for nonadiabatic transition probability determination. Results: The rate coefficients are found to be expressed via statistical probabilities and reduced rate coefficients. It turns out that the reduced rate coefficients for mutual neutralization and ion-pair formation processes depend on single electronic bound energies of an atom, while the reduced rate coefficients for excitation and de-excitation processes depend on two electronic bound energies. The reduced rate coefficients are calculated and tabulated as functions of electronic bound energies. The derived model is applied to potassium-hydrogen collisions. For the first time, rate coefficients are evaluated for inelastic processes in K+H and K++H- collisions for all transitions from ground states up to and including ionic states. Tables with calculated data are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/606/A147

On the methods for determining the transverse dispersion coefficient in river mixing

NASA Astrophysics Data System (ADS)

Baek, Kyong Oh; Seo, Il Won

2016-04-01

In this study, the strengths and weaknesses of existing methods for determining the dispersion coefficient in the two-dimensional river mixing model were assessed based on hydraulic and tracer data sets acquired from experiments conducted on either laboratory channels or natural rivers. From the results of this study, it can be concluded that, when the longitudinal dispersion coefficient as well as the transverse dispersion coefficients must be determined in the transient concentration situation, the two-dimensional routing procedures, 2D RP and 2D STRP, can be employed to calculate dispersion coefficients among the observation methods. For the steady concentration situation, the STRP can be applied to calculate the transverse dispersion coefficient. When the tracer data are not available, either theoretical or empirical equations by the estimation method can be used to calculate the dispersion coefficient using the geometric and hydraulic data sets. Application of the theoretical and empirical equations to the laboratory channel showed that equations by Baek and Seo [[3], 2011] predicted reasonable values while equations by Fischer [23] and Boxwall and Guymer (2003) overestimated by factors of ten to one hundred. Among existing empirical equations, those by Jeon et al. [28] and Baek and Seo [6] gave the agreeable values of the transverse dispersion coefficient for most cases of natural rivers. Further, the theoretical equation by Baek and Seo [5] has the potential to be broadly applied to both laboratory and natural channels.

Calculating the Effect of External Shading on the Solar Heat Gain Coefficient of Windows

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

Kohler, Christian; Shukla, Yash; Rawal, Rajan

Current prescriptive building codes have limited ways to account for the effect of solar shading, such as overhangs and awnings, on window solar heat gains. We propose two new indicators, the adjusted Solar Heat Gain Coefficient (aSHGC) which accounts for external shading while calculating the SHGC of a window, and a weighted SHGC (SHGCw) which provides a seasonal SHGC weighted by solar intensity. We demonstrate a method to calculate these indices using existing tools combined with additional calculations. The method is demonstrated by calculating the effect of an awning on a clear double glazing in New Delhi.

Self-diffusion and conductivity in an ultracold strongly coupled plasma: Calculation by the method of molecular dynamics

NASA Astrophysics Data System (ADS)

Zelener, B. B.; Zelener, B. V.; Manykin, E. A.; Bronin, S. Ya; Bobrov, A. A.; Khikhlukha, D. R.

2018-01-01

We present results of calculations by the method of molecular dynamics of self-diffusion and conductivity of electron and ion components of ultracold plasma in a comparison with available theoretical and experimental data. For the ion self-diffusion coefficient, good agreement was obtained with experiments on ultracold plasma. The results of the calculation of self-diffusion also agree well with other calculations performed for the same values of the coupling parameter, but at high temperatures. The difference in the results of the conductivity calculations on the basis of the current autocorrelation function and on the basis of the diffusion coefficient is discussed.

Mercado/Robb/Buchdahl coefficients: an update of 243 common glasses

NASA Astrophysics Data System (ADS)

Bolser, Michael

2002-12-01

The 1983 Mercado/Robb listing of Buchdahl chromatic coordinate coefficients is supplemented with glasses from the Schott and O'Hara catalogues. The coefficients were calculated by using Buchdahl's cubic model. Appropriately selected materials yield a superachromat.

Development of a web-based CT dose calculator: WAZA-ARI.

PubMed

Ban, N; Takahashi, F; Sato, K; Endo, A; Ono, K; Hasegawa, T; Yoshitake, T; Katsunuma, Y; Kai, M

2011-09-01

A web-based computed tomography (CT) dose calculation system (WAZA-ARI) is being developed based on the modern techniques for the radiation transport simulation and for software implementation. Dose coefficients were calculated in a voxel-type Japanese adult male phantom (JM phantom), using the Particle and Heavy Ion Transport code System. In the Monte Carlo simulation, the phantom was irradiated with a 5-mm-thick, fan-shaped photon beam rotating in a plane normal to the body axis. The dose coefficients were integrated into the system, which runs as Java servlets within Apache Tomcat. Output of WAZA-ARI for GE LightSpeed 16 was compared with the dose values calculated similarly using MIRD and ICRP Adult Male phantoms. There are some differences due to the phantom configuration, demonstrating the significance of the dose calculation with appropriate phantoms. While the dose coefficients are currently available only for limited CT scanner models and scanning options, WAZA-ARI will be a useful tool in clinical practice when development is finalised.

Calculating the permeability coefficients of mixed matrix membranes of polydimethylsiloxane and silicalite crystals to various ethanol-water solutions using molecular simulations.

EPA Science Inventory

The permeability coefficients of mixed matrix membranes of polydimethylsiloxane (PDMS) and silicalite crystal are taken as the sum of the permeability coefficients of membrane components each weighted by their associated mass fraction. The permeability coefficient of a membrane c...

SU‐C‐105‐05: Reference Dosimetry of High‐Energy Electron Beams with a Farmer‐Type Ionization Chamber

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

Muir, B; Rogers, D

2013-06-15

Purpose: To investigate gradient effects and provide Monte Carlo calculated beam quality conversion factors to characterize the Farmer‐type NE2571 ion chamber for high‐energy reference dosimetry of clinical electron beams. Methods: The EGSnrc code system is used to calculate the absorbed dose to water and to the gas in a fully modeled NE2571 chamber as a function of depth in a water phantom. Electron beams incident on the surface of the phantom are modeled using realistic BEAMnrc accelerator simulations and electron beam spectra. Beam quality conversion factors are determined using calculated doses to water and to air in the chamber inmore » high‐energy electron beams and in a cobalt‐60 reference field. Calculated water‐to‐air stopping power ratios are employed for investigation of the overall ion chamber perturbation factor. Results: An upstream shift of 0.3–0.4 multiplied by the chamber radius, r-cav, both minimizes the variation of the overall ion chamber perturbation factor with depth and reduces the difference between the beam quality specifier (R{sub 5} {sub 0}) calculated using ion chamber simulations and that obtained with simulations of dose‐to‐water in the phantom. Beam quality conversion factors are obtained at the reference depth and gradient effects are optimized using a shift of 0.2r-cav. The photon‐electron conversion factor, k-ecal, amounts to 0.906 when gradient effects are minimized using the shift established here and 0.903 if no shift of the data is used. Systematic uncertainties in beam quality conversion factors are investigated and amount to between 0.4 to 1.1% depending on assumptions used. Conclusion: The calculations obtained in this work characterize the use of an NE2571 ion chamber for reference dosimetry of high‐energy electron beams. These results will be useful as the AAPM continues to review their reference dosimetry protocols.« less

Improved method for calculating neoclassical transport coefficients in the banana regime

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

Taguchi, M., E-mail: taguchi.masayoshi@nihon-u.ac.jp

The conventional neoclassical moment method in the banana regime is improved by increasing the accuracy of approximation to the linearized Fokker-Planck collision operator. This improved method is formulated for a multiple ion plasma in general tokamak equilibria. The explicit computation in a model magnetic field shows that the neoclassical transport coefficients can be accurately calculated in the full range of aspect ratio by the improved method. The some neoclassical transport coefficients for the intermediate aspect ratio are found to appreciably deviate from those obtained by the conventional moment method. The differences between the transport coefficients with these two methods aremore » up to about 20%.« less

Validation of DRAGON4/DONJON4 simulation methodology for a typical MNSR by calculating reactivity feedback coefficient and neutron flux

NASA Astrophysics Data System (ADS)

Al Zain, Jamal; El Hajjaji, O.; El Bardouni, T.; Boukhal, H.; Jaï, Otman

2018-06-01

The MNSR is a pool type research reactor, which is difficult to model because of the importance of neutron leakage. The aim of this study is to evaluate a 2-D transport model for the reactor compatible with the latest release of the DRAGON code and 3-D diffusion of the DONJON code. DRAGON code is then used to generate the group macroscopic cross sections needed for full core diffusion calculations. The diffusion DONJON code, is then used to compute the effective multiplication factor (keff), the feedback reactivity coefficients and neutron flux which account for variation in fuel and moderator temperatures as well as the void coefficient have been calculated using the DRAGON and DONJON codes for the MNSR research reactor. The cross sections of all the reactor components at different temperatures were generated using the DRAGON code. These group constants were used then in the DONJON code to calculate the multiplication factor and the neutron spectrum at different water and fuel temperatures using 69 energy groups. Only one parameter was changed where all other parameters were kept constant. Finally, Good agreements between the calculated and measured have been obtained for every of the feedback reactivity coefficients and neutron flux.

Use of Navier-Stokes methods for the calculation of high-speed nozzle flow fields

NASA Technical Reports Server (NTRS)

Georgiadis, Nicholas J.; Yoder, Dennis A.

1994-01-01

Flows through three reference nozzles have been calculated to determine the capabilities and limitations of the widely used Navier-Stokes solver, PARC. The nozzles examined have similar dominant flow characteristics as those considered for supersonic transport programs. Flows from an inverted velocity profile (IVP) nozzle, an under expanded nozzle, and an ejector nozzle were examined. PARC calculations were obtained with its standard algebraic turbulence model, Thomas, and the two-equation turbulence model, Chien k-epsilon. The Thomas model was run with the default coefficient of mixing set at both 0.09 and a larger value of 0.13 to improve the mixing prediction. Calculations using the default value substantially underpredicted the mixing for all three flows. The calculations obtained with the higher mixing coefficient better predicted mixing in the IVP and underexpanded nozzle flows but adversely affected PARC's convergence characteristics for the IVP nozzle case. The ejector nozzle case did not converge with the Thomas model and the higher mixing coefficient. The Chien k-epsilon results were in better agreement with the experimental data overall than were those of the Thomas run with the default mixing coefficient, but the default boundary conditions for k and epsilon underestimated the levels of mixing near the nozzle exits.

Sample Size Calculation for Estimating or Testing a Nonzero Squared Multiple Correlation Coefficient

ERIC Educational Resources Information Center

Krishnamoorthy, K.; Xia, Yanping

2008-01-01

The problems of hypothesis testing and interval estimation of the squared multiple correlation coefficient of a multivariate normal distribution are considered. It is shown that available one-sided tests are uniformly most powerful, and the one-sided confidence intervals are uniformly most accurate. An exact method of calculating sample size to…

First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

DOE PAGES

Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; ...

2015-02-17

The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

Nonperturbative renormalization of quark bilinear operators and B{sub K} using domain wall fermions

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

Aoki, Y.; Dawson, C.; Brookhaven National Laboratory, Upton, New York 11973

2008-09-01

We present a calculation of the renormalization coefficients of the quark bilinear operators and the K-K mixing parameter B{sub K}. The coefficients relating the bare lattice operators to those in the RI/MOM scheme are computed nonperturbatively and then matched perturbatively to the MS scheme. The coefficients are calculated on the RBC/UKQCD 2+1 flavor dynamical lattice configurations. Specifically we use a 16{sup 3}x32 lattice volume, the Iwasaki gauge action at {beta}=2.13 and domain wall fermions with L{sub s}=16.

Shear viscosity coefficient of liquid lanthanides

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

Patel, H. P., E-mail: patel.harshal2@gmail.com; Thakor, P. B., E-mail: pbthakore@rediffmail.com; Prajapati, A. V., E-mail: anand0prajapati@gmail.com

2015-05-15

Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.

Shear viscosity coefficient of liquid lanthanides

NASA Astrophysics Data System (ADS)

Patel, H. P.; Sonvane, Y. A.; Thakor, P. B.; Prajapati, A. V.

2015-05-01

Present paper deals with the computation of shear viscosity coefficient (η) of liquid lanthanides. The effective pair potential v(r) is calculated through our newly constructed model potential. The Pair distribution function g(r) is calculated from PYHS reference system. To see the influence of local field correction function, Hartree (H), Tailor (T) and Sarkar et al (S) local field correction function are used. Present results are compared with available experimental as well as theoretical data. Lastly, we found that our newly constructed model potential successfully explains the shear viscosity coefficient (η) of liquid lanthanides.

Assessment of oxygen saturation in dental pulp of permanent teeth with periodontal disease.

PubMed

Giovanella, Larissa Bergesch; Barletta, Fernando Branco; Felippe, Wilson Tadeu; Bruno, Kely Firmino; de Alencar, Ana Helena Gonçalves; Estrela, Carlos

2014-12-01

In individuals with periodontal disease, dental pulp status should be determined before a treatment plan is made. Pulse oximeters are promising diagnostic tools to evaluate pulp vascularization. This study used pulse oximetry to determine the level of oxygen saturation in dental pulp of intact permanent teeth with periodontal attachment loss (PAL) and gingival recession (GR) and to evaluate the correlation between periodontal disease and level of oxygen saturation in the pulp. This study included 67 anterior teeth of 35 patients; all teeth showed intact crowns, PAL, a periodontal pocket (PP), and GR. The teeth underwent periodontal examination, cold and electric pulp testing, and pulse oximetry measurements. The Pearson correlation coefficient and a linear regression coefficient were calculated to evaluate the degree of correlation between periodontal disease markers (PAL, PP, and GR) and the level of oxygen saturation in dental pulp. These tests also evaluated possible associations between oxygen saturation and cold and electric pulp testing. PAL, PP, and GR had negative correlations with oxygen saturation in dental pulp. Conversely, no statistically significant association was found between oxygen saturation in dental pulp and the response to electric sensibility testing. Oxygen saturation was lower in the pulp of permanent teeth with PAL, PP, and GR, indicating that periodontal disease correlates with the level of oxygen saturation in the pulp. Copyright © 2014 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Theoretical study of dissociative recombination of Cl{sub 2}{sup +}

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

Zhang Mingwu; Graduate School of Chinese Academy of Sciences, Beijing 100039; Department of Physics, Stockholm University, S-106 91 Stockholm

Theoretical studies of low-energy electron collisions with Cl{sub 2}{sup +} leading to direct dissociative recombination are presented. The relevant potential energy curves and autoionization widths are calculated by combining electron scattering calculations using the complex Kohn variational method with multireference configuration interaction structure calculations. The dynamics on the four lowest resonant states of all symmetries is studied by the solution of a driven Schroedinger equation. The thermal rate coefficient for dissociative recombination of Cl{sub 2}{sup +} is calculated and the influence on the thermal rate coefficient from vibrational excited target ions is investigated.

Reduced Variance using ADVANTG in Monte Carlo Calculations of Dose Coefficients to Stylized Phantoms

NASA Astrophysics Data System (ADS)

Hiller, Mauritius; Bellamy, Michael; Eckerman, Keith; Hertel, Nolan

2017-09-01

The estimation of dose coefficients of external radiation sources to the organs in phantoms becomes increasingly difficult for lower photon source energies. This study focus on the estimation of photon emitters around the phantom. The computer time needed to calculate a result within a certain precision can be lowered by several orders of magnitude using ADVANTG compared to a standard run. Using ADVANTG which employs the DENOVO adjoint calculation package enables the user to create a fully populated set of weight windows and source biasing instructions for an MCNP calculation.

Simulating Osmotic Equilibria: A New Tool for Calculating Activity Coefficients in Concentrated Aqueous Salt Solutions.

PubMed

Bley, Michael; Duvail, Magali; Guilbaud, Philippe; Dufrêche, Jean-François

2017-10-19

Herein, a new theoretical method is presented for predicting osmotic equilibria and activities, where a bulk liquid and its corresponding vapor phase are simulated by means of molecular dynamics using explicit polarization. Calculated time-averaged number density profiles provide the amount of evaporated molecules present in the vapor phase and consequently the vapor-phase density. The activity of the solvent and the corresponding osmotic coefficient are determined by the vapor density at different solute concentrations with respect to the reference vapor density of the pure solvent. With the extended Debye-Hückel equation for the activity coefficient along with the corresponding Gibbs-Duhem relation, the activity coefficients of the solutes are calculated by fitting the osmotic coefficients. A simple model based on the combination of Poisson processes and Maxwell-Boltzmann velocity distributions is introduced to interpret statistical phenomena observed during the simulations, which are related to evaporation and recondensation. This method is applied to aqueous dysprosium nitrate [Dy(NO 3 ) 3 ] solutions at different concentrations. The obtained densities of the liquid bulk and the osmotic and activity coefficients are in good agreement with the experimental results for concentrated and saturated solutions. Density profiles of the liquid-vapor interface at different concentrations provide detailed insight into the spatial distributions of all compounds.

Temporal correlation coefficient for directed networks.

PubMed

Büttner, Kathrin; Salau, Jennifer; Krieter, Joachim

2016-01-01

Previous studies dealing with network theory focused mainly on the static aggregation of edges over specific time window lengths. Thus, most of the dynamic information gets lost. To assess the quality of such a static aggregation the temporal correlation coefficient can be calculated. It measures the overall possibility for an edge to persist between two consecutive snapshots. Up to now, this measure is only defined for undirected networks. Therefore, we introduce the adaption of the temporal correlation coefficient to directed networks. This new methodology enables the distinction between ingoing and outgoing edges. Besides a small example network presenting the single calculation steps, we also calculated the proposed measurements for a real pig trade network to emphasize the importance of considering the edge direction. The farm types at the beginning of the pork supply chain showed clearly higher values for the outgoing temporal correlation coefficient compared to the farm types at the end of the pork supply chain. These farm types showed higher values for the ingoing temporal correlation coefficient. The temporal correlation coefficient is a valuable tool to understand the structural dynamics of these systems, as it assesses the consistency of the edge configuration. The adaption of this measure for directed networks may help to preserve meaningful additional information about the investigated network that might get lost if the edge directions are ignored.

Calculation of electronic transport coefficients of Ag and Au plasma.

PubMed

Apfelbaum, E M

2011-12-01

The thermoelectric transport coefficients of silver and gold plasma have been calculated within the relaxation-time approximation. We considered temperatures of 10-100 kK and densities of ρ

Properties of solid and gaseous hydrogen, based upon anisotropic pair interactions

NASA Technical Reports Server (NTRS)

Etters, R. D.; Danilowicz, R.; England, W.

1975-01-01

Properties of H2 are studied on the basis of an analytic anisotropic potential deduced from atomic orbital and perturbation calculations. The low-pressure solid results are based on a spherical average of the anisotropic potential. The ground state energy and the pressure-volume relation are calculated. The metal-insulator phase transition pressure is predicted. Second virial coefficients are calculated for H2 and D2, as is the difference in second virial coefficients between ortho and para H2 and D2.

Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

DOE PAGES

Fellinger, Michael R.; Hector, Jr., Louis G.; Trinkle, Dallas R.

2016-11-29

Here, we present computed datasets on changes in the lattice parameter and elastic stiffness coefficients of BCC Fe due to substitutional Al, B, Cu, Mn, and Si solutes, and octahedral interstitial C and N solutes. The data is calculated using the methodology based on density functional theory (DFT). All the DFT calculations were performed using the Vienna Ab initio Simulations Package (VASP). The data is stored in the NIST dSpace repository.

Hyperfine excitation of C2H in collisions with ortho- and para-H2

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-06-01

Accurate estimation of the abundance of the ethynyl (C2H) radical requires accurate radiative and collisional rate coefficients. Hyperfine-resolved rate coefficients for (de-)excitation of C2H in collisions with ortho- and para-H2 are presented in this work. These rate coefficients were computed in time-independent close-coupling quantum scattering calculations that employed a potential energy surface recently computed at the coupled-clusters level of theory that describes the interaction of C2H with H2. Rate coefficients for temperatures from 10 to 300 K were computed for all transitions among the first 40 hyperfine energy levels of C2H in collisions with ortho- and para-H2. These rate coefficients were employed in simple radiative transfer calculations to simulate the excitation of C2H in typical molecular clouds.

Determination of the Peltier Coefficient of Germanium in a Vertical Bridgeman-Stockbarger Furnace

NASA Technical Reports Server (NTRS)

Weigel, Michaela E. K.; Matthiesen, David H.

1997-01-01

The Peltier effect is the fundamental mechanism that makes interface demarcation through current pulsing possible. If a method for calculating the necessary current density for effective demarcation is to be developed, it will be necessary to know the value of the Peltier coefficient. This study determined experimentally the value of the Peltier coefficient for gallium-doped germanium by comparing the change in average growth rates between current-on and current-off periods. Current-on and current-off layer thickness measurements were made using differential interference contrast microscopy and atomic force microscopy. It was found that the Joule and Thomson effects could not be neglected. Peltier coefficients calculated from the experimental data with an analysis that accounts for Joule, Thomson, and Peltier effects yielded an average value for the Peltier coefficient of 0.076 +/- 0.015 V.

Nitroxide paramagnet-induced para-ortho conversion and nuclear spin relaxation of H2 in organic solvents.

PubMed

Sartori, Elena; Ruzzi, Marco; Lawler, Ronald G; Turro, Nicholas J

2008-09-24

The kinetics of para-ortho conversion and nuclear spin relaxation of H 2 in chloroform- d 1 were investigated in the presence of nitroxides as paramagnetic catalysts. The back conversion from para-hydrogen ( p-H 2) to ortho-hydrogen ( o-H 2) was followed by NMR by recording the increase in the intensity of the signal of o-H 2 at regular intervals of time. The nitroxides proved to be hundreds of times more effective at inducing relaxation among the spin levels of o-H 2 than they are in bringing about transitions between p-H 2 and the levels of o-H 2. The value of the encounter distance d between H 2 and the paramagnetic molecule, calculated from the experimental bimolecular conversion rate constant k 0, using the Wigner theory of para-ortho conversion, agrees perfectly with that calculated from the experimental relaxivity R 1 using the force free diffusion theory of spin-lattice relaxation.

Determination of the external mass transfer coefficient and influence of mixing intensity in moving bed biofilm reactors for wastewater treatment.

PubMed

Nogueira, Bruno L; Pérez, Julio; van Loosdrecht, Mark C M; Secchi, Argimiro R; Dezotti, Márcia; Biscaia, Evaristo C

2015-09-01

In moving bed biofilm reactors (MBBR), the removal of pollutants from wastewater is due to the substrate consumption by bacteria attached on suspended carriers. As a biofilm process, the substrates are transported from the bulk phase to the biofilm passing through a mass transfer resistance layer. This study proposes a methodology to determine the external mass transfer coefficient and identify the influence of the mixing intensity on the conversion process in-situ in MBBR systems. The method allows the determination of the external mass transfer coefficient in the reactor, which is a major advantage when compared to the previous methods that require mimicking hydrodynamics of the reactor in a flow chamber or in a separate vessel. The proposed methodology was evaluated in an aerobic lab-scale system operating with COD removal and nitrification. The impact of the mixing intensity on the conversion rates for ammonium and COD was tested individually. When comparing the effect of mixing intensity on the removal rates of COD and ammonium, a higher apparent external mass transfer resistance was found for ammonium. For the used aeration intensities, the external mass transfer coefficient for ammonium oxidation was ranging from 0.68 to 13.50 m d(-1) and for COD removal 2.9 to 22.4 m d(-1). The lower coefficient range for ammonium oxidation is likely related to the location of nitrifiers deeper in the biofilm. The measurement of external mass transfer rates in MBBR will help in better design and evaluation of MBBR system-based technologies. Copyright © 2015 Elsevier Ltd. All rights reserved.

Whispering gallery mode resonators for frequency metrology applications

NASA Astrophysics Data System (ADS)

Baumgartel, Lukas

This dissertation describes an investigation into the use of whispering gallery mode (WGM) resonators for applications towards frequency reference and metrology. Laser stabilization and the measurement of optical frequencies have enabled myriad technologies of both academic and commercial interest. A technology which seems to span both motivations is optical atomic clocks. These devices are virtually unimaginable without the ultra stable lasers plus frequency measurement and down-conversion afforded by Fabry Perot (FP) cavities and model-locked laser combs, respectively. However, WGM resonators can potentially perform both of these tasks while having the distinct advantages of compactness and simplicity. This work represents progress towards understanding and mitigating the performance limitations of WGM cavities for such applications. A system for laser frequency stabilization to a the cavity via the Pound-Drever-Hall (PDH) method is described. While the laser lock itself is found to perform at the level of several parts in 1015, a variety of fundamental and technical mechanisms destabilize the WGM frequency itself. Owing to the relatively large thermal expansion coefficients in optical crystals, environmental temperature drifts set the stability limit at time scales greater than the thermal relaxation time of the crystal. Uncompensated, these drifts pull WGM frequencies about 3 orders of magnitude more than they would in an FP cavity. Thus, two temperature compensation schemes are developed. An active scheme measures and stabilizes the mode volume temperature to the level of several nK, reducing the effective temperature coefficient of the resonator to 1.7x10-7 K-1; simulations suggest that the value could eventually be as low as 3.5x10-8 K-1, on par with the aforementioned FP cavities. A second, passive scheme is also described, which employs a heterogeneous resonator structure that capitalizes on the thermo-mechanical properties of one material and the optical properties of another. Calculations show that a temperature coefficient zero-crossing can be achieved, and encouraging initial experimental results are presented. At shorter time scales, fundamental thermal and technical noise sources define stability limits. The relative strengths of thermorefractive, thermoelastic, and Brownian motion are outlined, along with the level at which they can expect to be observed and some approaches to minimize them. It is shown that variations in the coupling gap pull the frequency at about 10 Hz/nm. A method for calculating frequency noise density caused by laser amplitude fluctuations is presented. Frequency comb generation in WGM resonators is also discussed. It is shown that cavity dispersion can be engineered through geometric parameters, yielding a microcomb with initial sidebands at 1 FSR from the pump. Such combs are thought to be coherent. Also described is a microcomb generated by a PDH locked pump laser. The resulting microwave beatnote can be changed from noisy to quiet by changing the offset of this lock. An investigation of optical to microwave down-conversion is conducted.

A new approach for beam hardening correction based on the local spectrum distributions

NASA Astrophysics Data System (ADS)

Rasoulpour, Naser; Kamali-Asl, Alireza; Hemmati, Hamidreza

2015-09-01

Energy dependence of material absorption and polychromatic nature of x-ray beams in the Computed Tomography (CT) causes a phenomenon which called "beam hardening". The purpose of this study is to provide a novel approach for Beam Hardening (BH) correction. This approach is based on the linear attenuation coefficients of Local Spectrum Distributions (LSDs) in the various depths of a phantom. The proposed method includes two steps. Firstly, the hardened spectra in various depths of the phantom (or LSDs) are estimated based on the Expectation Maximization (EM) algorithm for arbitrary thickness interval of known materials in the phantom. The performance of LSD estimation technique is evaluated by applying random Gaussian noise to transmission data. Then, the linear attenuation coefficients with regarding to the mean energy of LSDs are obtained. Secondly, a correction function based on the calculated attenuation coefficients is derived in order to correct polychromatic raw data. Since a correction function has been used for the conversion of the polychromatic data to the monochromatic data, the effect of BH in proposed reconstruction must be reduced in comparison with polychromatic reconstruction. The proposed approach has been assessed in the phantoms which involve less than two materials, but the correction function has been extended for using in the constructed phantoms with more than two materials. The relative mean energy difference in the LSDs estimations based on the noise-free transmission data was less than 1.5%. Also, it shows an acceptable value when a random Gaussian noise is applied to the transmission data. The amount of cupping artifact in the proposed reconstruction method has been effectively reduced and proposed reconstruction profile is uniform more than polychromatic reconstruction profile.

Ultrasound in gas-liquid systems: effects on solubility and mass transfer.

PubMed

Laugier, F; Andriantsiferana, C; Wilhelm, A M; Delmas, H

2008-09-01

The effect of ultrasound on the pseudo-solubility of nitrogen in water and on gas-liquid mass transfer kinetics has been investigated in an autoclave reactor equipped with a gas induced impeller. In order to use organic liquids and to investigate the effect of pressure, gas-liquid mass transfer coefficient was calculated from the evolution of autoclave pressure during gas absorption to avoid any side-effects of ultrasound on the concentrations measurements. Ultrasound effect on the apparent solubility is very low (below 12%). Conversely ultrasound greatly improves gas-liquid mass transfer, especially below gas induction speed, this improvement being boosted by pressure. In typical conditions of organic synthesis: 323 K, 1100 rpm, 10 bar, k(L).a is multiplied by 11 with ultrasound (20 kHz/62.6 W). The impact of sonication is much higher on gassing out than on gassing in. In the same conditions, this enhancement is at least five times higher for degassing.

Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

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

Jakobtorweihen, S., E-mail: jakobtorweihen@tuhh.de; Ingram, T.; Gerlach, T.

2014-07-28

Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realisticmore » solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations.« less

Warming of Monolithic Structures in Winter

NASA Astrophysics Data System (ADS)

Pikus, G. A.; Lebed, A. R.

2017-11-01

The present work attempts to develop a mathematical model for calculating the heat transfer coefficient of the fence of monolithic structures erected in winter. The urgency and, at the same time, the practical significance of the research lies in the fact that to date no simple, effective tool has been developed to ensure the elimination of the unfavorable thermally stressed state of a structure’s concrete from maximum equalization of temperatures across its cross-section. The main problem for concrete is a high temperature which leads to a sharp decrease in the quality of erected structures due to developing cracks. This paper based on the well-known Newton’s law and its differential equation demonstrates the formula of concrete cooling and the analysis of its proportionality coefficient. Based on the literature analysis, it is established that the proportionality coefficient is determined by the thermophysical properties of concrete, the size and shape of the structure, and the intensity of its heat exchange with the surrounding medium. A limitation was used on the temperature gradient over the section of the monolithic structure to derive a formula for calculating the reduced heat transfer coefficient of a concrete fence. All mathematical calculations are given for cooling monolithic constructions in the form of plates. At the end of the work an example is given for the calculation of the required reduced heat transfer coefficient for the fence ensuring compliance with the permissible concrete temperature gradient.

Frequency-Domain Analysis of Diffusion-Cooled Hot-Electron Bolometer Mixers

NASA Technical Reports Server (NTRS)

Skalare, A.; McGrath, W. R.; Bumble, B.; LeDuc, H. G.

1998-01-01

A new theoretical model is introduced to describe heterodyne mixer conversion efficiency and noise (from thermal fluctuation effects) in diffusion-cooled superconducting hot-electron bolometers. The model takes into account the non-uniform internal electron temperature distribution generated by Wiedemann-Franz heat conduction, and accepts for input an arbitrary (analytical or experimental) superconducting resistance-versus- temperature curve. A non-linear large-signal solution is solved iteratively to calculate the temperature distribution, and a linear frequency-domain small-signal formulation is used to calculate conversion efficiency and noise. In the small-signal solution the device is discretized into segments, and matrix algebra is used to relate the heating modulation in the segments to temperature and resistance modulations. Matrix expressions are derived that allow single-sideband mixer conversion efficiency and coupled noise power to be directly calculated. The model accounts for self-heating and electrothermal feedback from the surrounding bias circuit.

SETs: stand evaluation tools: II. tree value conversion standards for hardwood sawtimber

Treesearch

Joseph J. Mendel; Paul S. DeBald; Martin E. Dale

1976-01-01

Tree quatity index tables are presented for 12 important hardwood species of the oak-hickory forest. From these, tree value conversion standards are developed for each species, log grade, merchantable height, and diameter at breast height. The method of calculating tree value conversion standards and adapting them to different conditions is explained. A computer...

Reciprocity principle in duct acoustics

NASA Technical Reports Server (NTRS)

Cho, Y.-C.

1979-01-01

Various reciprocity relations in duct acoustics have been derived on the basis of the spatial reciprocity principle implied in Green's functions for linear waves. The derivation includes the reciprocity relations between mode conversion coefficients for reflection and transmission in nonuniform ducts, and the relation between the radiation of a mode from an arbitrarily terminated duct and the absorption of an externally incident plane wave by the duct. Such relations are well defined as long as the systems remain linear, regardless of acoustic properties of duct nonuniformities which cause the mode conversions.

The calculation of thermophysical properties of nickel plasma

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

Apfelbaum, E. M.

2015-09-15

The thermophysical properties of Nickel plasma have been calculated for the temperatures 10–60 kK and densities less than 1 g/cm{sup 3}. These properties are the pressure, internal energy, heat capacity, and the electronic transport coefficients (electrical conductivity, thermal conductivity, and thermal power). The thermodynamic values have been calculated by means of the chemical model, which also allows one to obtain the ionic composition of considered plasma. The composition has been used to calculate the electronic transport coefficients within the relaxation time approximation. The results of the present investigation have been compared with the calculations of other researchers and available data ofmore » measurements.« less

Mutual influence of molecular diffusion in gas and surface phases

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

Communication: rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H2 reaction re-visited.

PubMed

Homayoon, Zahra; Jambrina, Pablo G; Aoiz, F Javier; Bowman, Joel M

2012-07-14

In a previous paper [P. G. Jambrina et al., J. Chem. Phys. 135, 034310 (2011)] various calculations of the rate coefficient for the Mu + H(2) → MuH + H reaction were presented and compared to experiment. The widely used standard quasiclassical trajectory (QCT) method was shown to overestimate the rate coefficients by several orders of magnitude over the temperature range 200-1000 K. This was attributed to a major failure of that method to describe the correct threshold for the reaction owing to the large difference in zero-point energies (ZPE) of the reactant H(2) and product MuH (∼0.32 eV). In this Communication we show that by performing standard QCT calculations for the reverse reaction and then applying detailed balance, the resulting rate coefficient is in very good agreement with the other computational results that respect the ZPE, (as well as with the experiment) but which are more demanding computationally.

Communication: Rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H2 reaction re-visited

NASA Astrophysics Data System (ADS)

Homayoon, Zahra; Jambrina, Pablo G.; Aoiz, F. Javier; Bowman, Joel M.

2012-07-01

In a previous paper [P. G. Jambrina et al., J. Chem. Phys. 135, 034310 (2011), 10.1063/1.3611400] various calculations of the rate coefficient for the Mu + H2 → MuH + H reaction were presented and compared to experiment. The widely used standard quasiclassical trajectory (QCT) method was shown to overestimate the rate coefficients by several orders of magnitude over the temperature range 200-1000 K. This was attributed to a major failure of that method to describe the correct threshold for the reaction owing to the large difference in zero-point energies (ZPE) of the reactant H2 and product MuH (˜0.32 eV). In this Communication we show that by performing standard QCT calculations for the reverse reaction and then applying detailed balance, the resulting rate coefficient is in very good agreement with the other computational results that respect the ZPE, (as well as with the experiment) but which are more demanding computationally.

Effective Dose Calculation Program (EDCP) for the usage of NORM-added consumer product.

PubMed

Yoo, Do Hyeon; Lee, Jaekook; Min, Chul Hee

2018-04-09

The aim of this study is to develop the Effective Dose Calculation Program (EDCP) for the usage of Naturally Occurring Radioactive Material (NORM) added consumer products. The EDCP was developed based on a database of effective dose conversion coefficient and the Matrix Laboratory (MATLAB) program to incorporate a Graphic User Interface (GUI) for ease of use. To validate EDCP, the effective dose calculated with EDCP by manually determining the source region by using the GUI and that by using the reference mathematical algorithm were compared for pillow, waist supporter, eye-patch and sleeping mattress. The results show that the annual effective dose calculated with EDCP was almost identical to that calculated using the reference mathematical algorithm in most of the assessment cases. With the assumption of the gamma energy of 1 MeV and activity of 1 MBq, the annual effective doses of pillow, waist supporter, sleeping mattress, and eye-patch determined using the reference algorithm were 3.444 mSv year -1 , 2.770 mSv year -1 , 4.629 mSv year -1 , and 3.567 mSv year -1 , respectively, while those calculated using EDCP were 3.561 mSv year -1 , 2.630 mSv year -1 , 4.740 mSv year -1 , and 3.780 mSv year -1 , respectively. The differences in the annual effective doses were less than 5%, despite the different calculation methods employed. The EDCP can therefore be effectively used for radiation protection management in the context of the usage of NORM-added consumer products. Additionally, EDCP can be used by members of the public through the GUI for various studies in the field of radiation protection, thus facilitating easy access to the program. Copyright © 2018. Published by Elsevier Ltd.

The B(E2;4^+1->2^+1) / B(E2;2^+1->0^+1) Ratio in Even-Even Nuclei

NASA Astrophysics Data System (ADS)

Loelius, C.; Sharon, Y. Y.; Zamick, L.; G"Urdal, G.

2009-10-01

We considered 207 even-even nuclei throughout the chart of nuclides for which the NNDC Tables had data on the energies and lifetimes of the 2^+1 and 4^+1 states. Using these data we calculated for each nucleus the electric quadrupole transition strengths B(E2;4^+1->2^+1) and B(E2;2^+1->0^+1), as well as their ratio. The internal conversion coefficients were obtained by using the NNDC HSICC calculator. For each nucleus we plotted the B(E2) ratio against A, N, and Z. We found that for close to 90% of the nuclei considered the ratio had values between 0.5 and 2.5. Most of the outliers had magic numbers of protons or neutrons. Our ratio results were compared with the theoretical predictions for this ratio by different models--10/7 in the rotational model and 2 in the simplest vibrational model. In the rotational regions (for 150 < A < 180 and A > 220) the ratios were indeed close to 10/7. For the few nuclei thought to be vibrational the ratios were usually less than 2. Otherwise, we got a wide scatter of ratio values. Hence other models, including the NpNn scheme, must be considered in interpreting these results.

A numerical algorithm for the explicit calculation of SU(N) and SL(N,C) Clebsch-Gordan coefficients

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

Alex, Arne; Delft, Jan von; Kalus, Matthias

2011-02-15

We present an algorithm for the explicit numerical calculation of SU(N) and SL(N,C) Clebsch-Gordan coefficients, based on the Gelfand-Tsetlin pattern calculus. Our algorithm is well suited for numerical implementation; we include a computer code in an appendix. Our exposition presumes only familiarity with the representation theory of SU(2).

Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.

PubMed

Bhatnagar, Navendu; Kamath, Ganesh; Chelst, Issac; Potoff, Jeffrey J

2012-07-07

The 1-octanol-water partition coefficient log K(ow) of a solute is a key parameter used in the prediction of a wide variety of complex phenomena such as drug availability and bioaccumulation potential of trace contaminants. In this work, adaptive biasing force molecular dynamics simulations are used to determine absolute free energies of hydration, solvation, and 1-octanol-water partition coefficients for n-alkanes from methane to octane. Two approaches are evaluated; the direct transfer of the solute from 1-octanol to water phase, and separate transfers of the solute from the water or 1-octanol phase to vacuum, with both methods yielding statistically indistinguishable results. Calculations performed with the TIP4P and SPC∕E water models and the TraPPE united-atom force field for n-alkanes show that the choice of water model has a negligible effect on predicted free energies of transfer and partition coefficients for n-alkanes. A comparison of calculations using wet and dry octanol phases shows that the predictions for log K(ow) using wet octanol are 0.2-0.4 log units lower than for dry octanol, although this is within the statistical uncertainty of the calculation.

The effect of the DSSC photoanode area based on TiO2/Ag on the conversion efficiency of solar energy into electrical energy

NASA Astrophysics Data System (ADS)

Ibrayev, N.; Serikov, T.; Zavgorodniy, A.; Sadykova, A.

2018-01-01

A module based on dye-sensitized solar cells with Ag/TiO2 structure was developed. It is shown that the addition of the core-shell structure to the semiconductor film of titanium dioxide, where the nanoparticle Ag serves as the core, and the TiO2 is shell, increases the coefficient of solar energy conversion into electrical energy. The effect of the photoanode area on the efficiency of conversion of solar energy into electrical energy is studied. It is shown that the density of the photocurrent decreases with increasing of the photoanode area, which leads to a drop in the efficiency of solar cells.

38 CFR 3.217 - Submission of statements or information affecting entitlement to benefits.

Code of Federal Regulations, 2011 CFR

2011-07-01

...) During the conversation in which the information or statement is provided, the VA employee: (i... calculating benefit amounts; and (2) During or following the conversation in which the information or...

Seasonal variability of dust in the eastern Mediterranean (Athens, Greece), through lidar measurements in the frame of EARLINET (2002-2012)

NASA Astrophysics Data System (ADS)

Kokkalis, Panos; Papayannis, Alex; Tsaknakis, George; Mamouri, RodElise; Argyrouli, Athina

2013-04-01

Aerosols play an important role in earth's atmospheric radiation balance, which is enhanced in areas where dust is mostly present (e.g. the Mediterranean region), as in the case of the city of Athens. The focus of this paper is to provide a comprehensive analysis of the seasonal variability of optical and geometrical properties, as well as the mass concentration of Saharan dust over the city of Athens, Greece, for a 10-years time period: 2002-2012 based on the laser remote sensing (lidar) technique. More specifically, the aerosol optical properties concern the extinction and the backscatter coefficient, as well as the lidar ratio, while the geometrical properties concern the dust layer thickness and center of mass. The calculations of the aerosol extinction coefficient and of the so-called lidar ratio (defined as the ratio of the aerosol extinction coefficient over the aerosol backscatter coefficient) are made by using the Raman lidar technique, only under cloud-free conditions. The calculation of the dust mass concentration was retrieved by a applying a conversion factor (the so-called dust extinction cross section; mean value of the order of 0.64 m2g-1) and by combining sun photometric measurements and modeled dust loading values. Our data analysis was based on monthly-mean values, and only in time periods under cloud-free conditions and for lidar signals with signal to noise ratios (SNR) greater than 1.5 under dusty conditions. The mean value of the lidar ratio at 355 nm was found to be 62±20sr, while the mean dust mass concentration was of the order of 240 μgm-3. The data analyzed were obtained by systematic aerosol lidar measurements performed by the EOLE Raman lidar system of the National Technical University of Athens (NTUA), in the frame of the European Aerosol Research Lidar network (EARLINET). EOLE is able to provide the vertical profiles of the aerosol backscatter (at 355, 532, 1064 nm) and extinction coefficients (at 355 and 532 nm), as well as the water vapor mixing ratio, from about 700 m up to 10000 m, with high temporal (< 5 min.) and spatial (7.5 m) resolution. Acknowledgements: This research has been co-financed by the European Union (European Social Fund - ESF) and Greek national funds through the Operational Program "Education and Lifelong Learning" of the National Strategic Reference Framework (NSRF) - Research Funding Program: Heracleitus II - Investing in knowledge society through the European Social Fund. This research was also financially supported by ITARS (www.itars.net), European Union Seventh Framework Programme (FP7/2007-2013): People, ITN Marie Curie Actions Programme (2012-2016) under grant agreement no 289923.

Zonal and tesseral harmonic coefficients for the geopotential function, from zero to 18th order

NASA Technical Reports Server (NTRS)

Kirkpatrick, J. C.

1976-01-01

Zonal and tesseral harmonic coefficients for the geopotential function are usually tabulated in normalized form to provide immediate information as to the relative significance of the coefficients in the gravity model. The normalized form of the geopotential coefficients cannot be used for computational purposes unless the gravity model has been modified to receive them. This modification is usually not done because the absolute or unnormalized form of the coefficients can be obtained from the simple mathematical relationship that relates the two forms. This computation can be quite tedious for hand calculation, especially for the higher order terms, and can be costly in terms of storage and execution time for machine computation. In this report, zonal and tesseral harmonic coefficients for the geopotential function are tabulated in absolute or unnormalized form. The report is designed to be used as a ready reference for both hand and machine calculation to save the user time and effort.

Entrance loss coefficients and exit coefficients for a physical model of the glottis with convergent angles

PubMed Central

Fulcher, Lewis P.; Scherer, Ronald C.; Anderson, Nicholas V.

2014-01-01

Pressure distributions were obtained for 5°, 10°, and 20° convergent angles with a static physical model (M5) of the glottis. Measurements were made for minimal glottal diameters from d = 0.005–0.32 cm with a range of transglottal pressures of interest for phonation. Entrance loss coefficients were calculated at the glottal entrance for each minimal diameter and transglottal pressure to measure how far the flows in this region deviate from Bernoulli flow. Exit coefficients were also calculated to determine the presence and magnitude of pressure recovery near the glottal exit. The entrance loss coefficients for the three convergent angles vary from values near 2.3–3.4 for d = 0.005 cm to values near 0.6 for d = 0.32 cm. These coefficients extend the tables of entrance loss and exit coefficients obtained for the uniform glottis according to Fulcher, Scherer, and Powell [J. Acoust. Soc. Am. 129, 1548–1553 (2011)]. PMID:25190404

Determination of effective doses in image-guided radiation therapy system

NASA Astrophysics Data System (ADS)

Pyone, Y. Y.; Suriyapee, S.; Sanghangthum, T.; Oonsiri, S.; Tawonwong, T.

2016-03-01

The organ and effective doses in image-guided radiotherapy system are determined in this study. For 2D imaging, incident air kerma (Ki) was measured by 6cc ionization chamber with Accu-Pro dosimeter. The entrance surface air kerma (ESAK) was calculated by multiplying Ki with backscatter factor. The effective dose was calculated by multiplying ESAK with conversion coefficient. For 3D imaging, computed tomography/cone-beam dose index (CTDI/CBDI) measurements were performed by using 100mm pencil ionization chamber with Accu-Pro dosimeter. The dose index in air and in CTDI phantom from planning CT and cone- beam CT were measured. Then, effective dose was calculated by ImPACT software. The effective doses from 2D conventional simulator for anteroposterior and lateral projections were 01 and 0.02mSv for head, 0.15 and 0.16mSv for thorax, 0.22 and 0.21mSv for pelvis, respectively. The effective doses from 3D, planning CT and CBCT, were 3.3 and 0.1mSv for head, 13 and 2.4mSv for thorax and 7.2 and 4.9mSv for pelvis, respectively. Based on 30 fractions of treatment course, total effective dose (3D CT, 2D setup verification and 6 times CBCT) of head, thorax and pelvis were 3.93, 27.71 and 37.03mSv, respectively. Therefore, IGRT should be administered with significant parameters to reduce the dose.

Estimation of Infiltration Parameters and the Irrigation Coefficients with the Surface Irrigation Advance Distance

PubMed Central

Beibei, Zhou; Quanjiu, Wang; Shuai, Tan

2014-01-01

A theory based on Manning roughness equation, Philip equation and water balance equation was developed which only employed the advance distance in the calculation of the infiltration parameters and irrigation coefficients in both the border irrigation and the surge irrigation. The improved procedure was validated with both the border irrigation and surge irrigation experiments. The main results are shown as follows. Infiltration parameters of the Philip equation could be calculated accurately only using water advance distance in the irrigation process comparing to the experimental data. With the calculated parameters and the water balance equation, the irrigation coefficients were also estimated. The water advance velocity should be measured at about 0.5 m to 1.0 m far from the water advance in the experimental corn fields. PMID:25061664

Consider a non-spherical elephant: computational fluid dynamics simulations of heat transfer coefficients and drag verified using wind tunnel experiments.

PubMed

Dudley, Peter N; Bonazza, Riccardo; Porter, Warren P

2013-07-01

Animal momentum and heat transfer analysis has historically used direct animal measurements or approximations to calculate drag and heat transfer coefficients. Research can now use modern 3D rendering and computational fluid dynamics software to simulate animal-fluid interactions. Key questions are the level of agreement between simulations and experiments and how superior they are to classical approximations. In this paper we compared experimental and simulated heat transfer and drag calculations on a scale model solid aluminum African elephant casting. We found good agreement between experimental and simulated data and large differences from classical approximations. We used the simulation results to calculate coefficients for heat transfer and drag of the elephant geometry. Copyright © 2013 Wiley Periodicals, Inc.

Collisional excitation of HC3N by para- and ortho-H2

NASA Astrophysics Data System (ADS)

Faure, Alexandre; Lique, François; Wiesenfeld, Laurent

2016-08-01

New calculations for rotational excitation of cyanoacetylene by collisions with hydrogen molecules are performed to include the lowest 38 rotational levels of HC3N and kinetic temperatures to 300 K. Calculations are based on the interaction potential of Wernli et al. whose accuracy is checked against spectroscopic measurements of the HC3N-H2 complex. The quantum coupled-channel approach is employed and complemented by quasi-classical trajectory calculations. Rate coefficients for ortho-H2 are provided for the first time. Hyperfine resolved rate coefficients are also deduced. Collisional propensity rules are discussed and comparisons between quantum and classical rate coefficients are presented. This collisional data should prove useful in interpreting HC3N observations in the cold and warm ISM, as well as in protoplanetary discs.

Study of the amplified spontaneous emission spectral width and gain coefficient for a KrF laser in unsaturated and saturated conditions

NASA Astrophysics Data System (ADS)

Hariri, A.; Sarikhani, S.

2014-01-01

On the basis of a model of a geometrically dependent gain coefficient, the amplified spontaneous emission (ASE) spectral width was calculated analytically for the nearly resonant transition of ν ˜ ν0, and also numerically for a wide range of transition frequencies. For this purpose, the intensity rate equation was used under unsaturated and saturated conditions. For verifying the proposed model, reported measurements of the ASE energy versus the excitation length for a KrF laser were used. For the excitation length of l = 84 cm corresponding to single-path propagation, the ASE spectral width for the homogeneously broadened transition was calculated to be 6.28 Å, to be compared with the measured 4.1 Å spectral width reported for a KrF oscillator utilizing a two-mirror resonator. With the gain parameters obtained from the ASE energy measurements, the unsaturated and saturated gain coefficients for l = 84 cm were calculated to be 0.042 cm-1 and 0.014 cm-1, respectively. These values of the gain coefficient are comparable to but slightly lower than the measured gain coefficient for laser systems of 80-100 cm excitation lengths reported from different laboratories.

Adding moxifloxacin is associated with a shorter time to culture conversion in pulmonary tuberculosis.

PubMed

Wang, J-Y; Wang, J-T; Tsai, T-H; Hsu, C-L; Yu, C-J; Hsueh, P-R; Lee, L-N; Yang, P-C

2010-01-01

To investigate whether adding moxifloxacin (MXF) to the standard anti-tuberculosis regimen can shorten the time to sputum culture conversion in pulmonary tuberculosis (PTB). Adults with culture-positive PTB were divided into two treatment groups by their choice: standard regimen alone (HERZ group) and standard regimen plus daily 400 mg MXF in the first 2 months (MXF group). Sputum samples were collected thrice weekly in the first 8 weeks. The propensity score was calculated to estimate the conditional probability of entering the MXF group. Factors influencing time to culture conversion were investigated using Cox proportional hazards regression analysis stratified by propensity score. Sixty-two patients were enrolled in the MXF group and 88 in the HERZ group; respectively 51 and 72 completed the study. The regimen was modified before culture conversion in respectively 6 (12%) and 12 (16%; P = 0.47) patients, due to adverse effects. The time to culture conversion was shorter in the MXF group (HR 2.1, 95%CI 1.4-3.2). The culture conversion rate after 6 weeks of treatment was respectively 82% and 61% (P = 0.011, <0.05/4, calculated using the modified Bonferroni method). Adding MXF to the standard anti-tuberculosis regimen in the first 2 months was associated with a shorter time to culture conversion, a higher 6-week culture conversion rate and reduced transmission of tuberculosis.

Hybrid local piezoelectric and conductive functions for high performance airborne sound absorption

NASA Astrophysics Data System (ADS)

Rahimabady, Mojtaba; Statharas, Eleftherios Christos; Yao, Kui; Sharifzadeh Mirshekarloo, Meysam; Chen, Shuting; Tay, Francis Eng Hock

2017-12-01

A concept of hybrid local piezoelectric and electrical conductive functions for improving airborne sound absorption is proposed and demonstrated in composite foam made of porous polar polyvinylidene fluoride (PVDF) mixed with conductive single-walled carbon nanotube (SWCNT). According to our hybrid material function design, the local piezoelectric effect in the PVDF matrix with the polar structure and the electrical resistive loss of SWCNT enhanced sound energy conversion to electrical energy and subsequently to thermal energy, respectively, in addition to the other known sound absorption mechanisms in a porous material. It is found that the overall energy conversion and hence the sound absorption performance are maximized when the concentration of the SWCNT is around the conductivity percolation threshold. For the optimal composition of PVDF/5 wt. % SWCNT, a sound reduction coefficient of larger than 0.58 has been obtained, with a high sound absorption coefficient higher than 50% at 600 Hz, showing their great values for passive noise mitigation even at a low frequency.

Thermoelectric Properties of Complex Oxide Heterostructures

NASA Astrophysics Data System (ADS)

Cain, Tyler Andrew

Thermoelectrics are a promising energy conversion technology for power generation and cooling systems. The thermal and electrical properties of the materials at the heart of thermoelectric devices dictate conversion efficiency and technological viability. Studying the fundamental properties of potentially new thermoelectric materials is of great importance for improving device performance and understanding the electronic structure of materials systems. In this dissertation, investigations on the thermoelectric properties of a prototypical complex oxide, SrTiO3, are discussed. Hybrid molecular beam epitaxy (MBE) is used to synthesize La-doped SrTiO3 thin films, which exhibit high electron mobilities and large Seebeck coefficients resulting in large thermoelectric power factors at low temperatures. Large interfacial electron densities have been observed in SrTiO3/RTiO 3 (R=Gd,Sm) heterostructures. The thermoelectric properties of such heterostructures are investigated, including the use of a modulation doping approach to control interfacial electron densities. Low-temperature Seebeck coefficients of extreme electron-density SrTiO3 quantum wells are shown to provide insight into their electronic structure.

Monitoring on internal temperature of composite insulator with embedding fiber Bragg grating for early diagnosis

NASA Astrophysics Data System (ADS)

Chen, Wen; Tang, Ming

2017-04-01

The abnormal temperature rise is the precursor of the defective composite insulator in power transmission line. However no consolidated techniques or methodologies can on line monitor its internal temperature now. Thus a new method using embedding fiber Bragg grating (FBG) in fiber reinforced polymer (FRP) rod is adopted to monitor its internal temperature. To correctly demodulate the internal temperature of FRP rod from the Bragg wavelength shift of FBG, the conversion coefficient between them is deduced theoretically based on comprehensive investigation on the thermal stresses of the metal-composite joint, as well as its material and structural properties. Theoretical model shows that the conversion coefficients of FBG embedded in different positions will be different because of non-uniform thermal stress distribution, which is verified by an experiment. This work lays the theoretical foundation of monitoring the internal temperature of composite insulator with embedding FBG, which is of great importance to its health structural monitoring, especially early diagnosis.

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.

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.

A subtle calculation method for nanoparticle’s molar extinction coefficient: The gift from discrete protein-nanoparticle system on agarose gel electrophoresis

NASA Astrophysics Data System (ADS)

Zhong, Ruibo; Yuan, Ming; Gao, Haiyang; Bai, Zhijun; Guo, Jun; Zhao, Xinmin; Zhang, Feng

2016-03-01

Discrete biomolecule-nanoparticle (NP) conjugates play paramount roles in nanofabrication, in which the key is to get the precise molar extinction coefficient of NPs. By making best use of the gift from a specific separation phenomenon of agarose gel electrophoresis (GE), amphiphilic polymer coated NP with exact number of bovine serum albumin (BSA) proteins can be extracted and further experimentally employed to precisely calculate the molar extinction coefficient of the NPs. This method could further benefit the evaluation and extraction of any other dual-component NP-containing bio-conjugates.

Mechanical Safety Subcommittee Guideline for Design of Thin Windows Regarding Roark’s Edge Condition Coefficient

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

Ader, C.; Voirin, E.; McGee, M.

An error was found in an edge stress coefficient used to calculate stresses in thin windows. This error is present in “Roark’s Formulas for Stress and Strain” 7th and 8th Edition. The 6th Edition is correct. This guideline specially discusses a major difference in regards to a coefficient used in calculating the edge stress in “Roark’s Formulas for Stress and Strain” 6th Edition compared to the 7th and 8th Editions. In Chapter 10: Flat Plates under “Circular plates under distributed load producing large deflections,” Case 3, which is “Fixed and held. Uniform pressure q over entire plate.” The coefficient formore » a fixed edge condition in the 6th Edition1 K4 = 0.476 while in the 7th and 8th Edition2, the coefficient is 1.73 which is significant difference.« less

Experimental rig to estimate the coefficient of friction between tire and surface in airplane touchdown simulations.

PubMed

Li, Chengwei; Zhan, Liwei

2015-08-01

To estimate the coefficient of friction between tire and runway surface during airplane touchdowns, we designed an experimental rig to simulate such events and to record the impact and friction forces being executed. Because of noise in the measured signals, we developed a filtering method that is based on the ensemble empirical mode decomposition and the bandwidth of probability density function of each intrinsic mode function to extract friction and impact force signals. We can quantify the coefficient of friction by calculating the maximum values of the filtered force signals. Signal measurements are recorded for different drop heights and tire rotational speeds, and the corresponding coefficient of friction is calculated. The result shows that the values of the coefficient of friction change only slightly. The random noise and experimental artifact are the major reason of the change.

Handling Density Conversion in TPS.

PubMed

Isobe, Tomonori; Mori, Yutaro; Takei, Hideyuki; Sato, Eisuke; Tadano, Kiichi; Kobayashi, Daisuke; Tomita, Tetsuya; Sakae, Takeji

2016-01-01

Conversion from CT value to density is essential to a radiation treatment planning system. Generally CT value is converted to the electron density in photon therapy. In the energy range of therapeutic photon, interactions between photons and materials are dominated with Compton scattering which the cross-section depends on the electron density. The dose distribution is obtained by calculating TERMA and kernel using electron density where TERMA is the energy transferred from primary photons and kernel is a volume considering spread electrons. Recently, a new method was introduced which uses the physical density. This method is expected to be faster and more accurate than that using the electron density. As for particle therapy, dose can be calculated with CT-to-stopping power conversion since the stopping power depends on the electron density. CT-to-stopping power conversion table is also called as CT-to-water-equivalent range and is an essential concept for the particle therapy.

Fuel feasibility study for Red River Army Depot boiler plant. Final report. [Economic breakeven points for conversion to fossil fuels

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

Ables, L.D.

This paper establishes economic breakeven points for the conversion to various fossil fuels as a function of time and pollution constraints for the main boiler plant at Red River Army Depot in Texarkana, Texas. In carrying out the objectives of this paper, the author develops what he considers to be the basic conversion costs and operating costs for each fossil fuel under investigation. These costs are analyzed by the use of the present worth comparison method, and the minimum cost difference between the present fuel and the proposed fuel which would justify the conversion to the proposed fuel is calculated.more » These calculated breakeven points allow a fast and easy method of determining the feasibility of a fuel by merely knowing the relative price difference between the fuels under consideration. (GRA)« less

Programmable Calculators for Elementary Schools.

ERIC Educational Resources Information Center

Wayrik, John J.

1978-01-01

Instructions are given for using and programing programable calculators. Several problems and examples are given that include topics such as temperature conversion, estimation, and number operations. (MP)

Initial Ship Design Using a Pearson Correlation Coefficient and Artificial Intelligence Techniques

NASA Astrophysics Data System (ADS)

Moon, Byung Young; Kim, Soo Young; Kang, Gyung Ju

In this paper we analyzed correlation between geometrical character and resistance, and effective horse power by using Pearson correlation coefficient which is one of the data mining methods. Also we made input data to ship's geometrical character which has strong correlation with output data. We calculated effective horse power and resistance by using Neuro-Fuzzy system. To verify the calculation, 9 of 11 container ships' data were improved as data of Neuro-Fuzzy system and the others were improved as verification data. After analyzing rate of error between existing data and calculation data, we concluded that calculation data have sound agreement with existing data.

Transport properties in mixtures involving carbon dioxide at low and moderate density: test of several intermolecular potential energies and comparison with experiment

NASA Astrophysics Data System (ADS)

Moghadasi, Jalil; Yousefi, Fakhri; Papari, Mohammad Mehdi; Faghihi, Mohammad Ali; Mohsenipour, Ali Asghar

2009-09-01

It is the purpose of this paper to extract unlike intermolecular potential energies of five carbon dioxide-based binary gas mixtures including CO2-He, CO2-Ne, CO2-Ar, CO2-Kr, and CO2-Xe from viscosity data and compare the calculated potentials with other models potential energy reported in literature. Then, dilute transport properties consisting of viscosity, diffusion coefficient, thermal diffusion factor, and thermal conductivity of aforementioned mixtures are calculated from the calculated potential energies and compared with literature data. Rather accurate correlations for the viscosity coefficient of afore-cited mixtures embracing the temperature range 200 K < T < 3273.15 K is reproduced from the present unlike intermolecular potentials energy. Our estimated accuracies for the viscosity are to within ±2%. In addition, the calculated potential energies are used to present smooth correlations for other transport properties. The accuracies of the binary diffusion coefficients are of the order of ±3%. Finally, the unlike interaction energy and the calculated low density viscosity have been employed to calculate high density viscosities using Vesovic-Wakeham method.

Thermodynamic properties of α-uranium

NASA Astrophysics Data System (ADS)

Ren, Zhiyong; Wu, Jun; Ma, Rong; Hu, Guichao; Luo, Chao

2016-11-01

The lattice constants and equilibrium atomic volume of α-uranium were calculated by Density Functional Theory (DFT). The first principles calculation results of the lattice for α-uranium are in agreement with the experimental results well. The thermodynamic properties of α-uranium from 0 to 900 K and 0-100 GPa were calculated with the quasi-harmonic Debye model. Volume, bulk modulus, entropy, Debye temperature, thermal expansion coefficient and the heat capacity of α-uranium were calculated. The calculated results show that the bulk modulus and Debye temperature increase with the increasing pressure at a given temperature while decreasing with the increasing temperature at a given pressure. Volume, entropy, thermal expansion coefficient and the heat capacity decrease with the increasing pressure while increasing with the increasing temperature. The theoretical results of entropy, Debye temperature, thermal expansion coefficient and the heat capacity show good agreement with the general trends of the experimental values. The constant-volume heat capacity shows typical Debye T3 power-law behavior at low temperature limit and approaches to the classical asymptotic Dulong-Petit limit at high temperature limit.

Electronic Structure, Optical and Transport Properties of Double Perovskite La2NbMnO6: A Theoretical Understanding from DFT Calculations

NASA Astrophysics Data System (ADS)

Parrey, Khursheed Ahmad; Khandy, Shakeel Ahmad; Islam, Ishtihadah; Laref, Amel; Gupta, Dinesh C.; Niazi, Asad; Aziz, Anver; Ansari, S. G.; Khenata, R.; Rubab, Seemin

2018-03-01

Double perovskite La2NbMnO6 was systematically studied using the first-principles calculations. The structural, electronic, optical and transport properties of this compound were calculated. Spin resolved band structure predicted this material as a half-metal with an energy gap of 3.75 eV in spin down state. The optical coefficients including optical conductivity, reflectivity and electron energy loss are calculated for photon energy up to 30.00 eV to understand the optical response of this perovskite. The strong absorption of all the ultraviolet and infrared frequencies of the spectrum by this material may suggest the potential application of this material for the optoelectronic devices in ultraviolet and infra-red region. Also, the thermoelectric properties with a speculation from the half-metallic electronic structure are reported. Subsequently, the Seebeck coefficient, electrical and thermal conductivity coefficients are calculated to predict the thermoelectric figure of merit (zT), the maximum of which is found out to be 0.14 at 800 K.

IJS procedure for RELAP5 to TRACE input model conversion using SNAP

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

Prosek, A.; Berar, O. A.

2012-07-01

The TRAC/RELAP Advanced Computational Engine (TRACE) advanced, best-estimate reactor systems code developed by the U.S. Nuclear Regulatory Commission comes with a graphical user interface called Symbolic Nuclear Analysis Package (SNAP). Much of efforts have been done in the past to develop the RELAP5 input decks. The purpose of this study is to demonstrate the Institut 'Josef Stefan' (IJS) conversion procedure from RELAP5 to TRACE input model of BETHSY facility. The IJS conversion procedure consists of eleven steps and is based on the use of SNAP. For calculations of the selected BETHSY 6.2TC test the RELAP5/MOD3.3 Patch 4 and TRACE V5.0more » Patch 1 were used. The selected BETHSY 6.2TC test was 15.24 cm equivalent diameter horizontal cold leg break in the reference pressurized water reactor without high pressure and low pressure safety injection. The application of the IJS procedure for conversion of BETHSY input model showed that it is important to perform the steps in proper sequence. The overall calculated results obtained with TRACE using the converted RELAP5 model were close to experimental data and comparable to RELAP5/MOD3.3 calculations. Therefore it can be concluded, that proposed IJS conversion procedure was successfully demonstrated on the BETHSY integral test facility input model. (authors)« less

40 CFR 98.253 - Calculating GHG emissions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... a flare. 0.001 = Unit conversion factor (metric tons per kilogram, mt/kg). n = Number of measurement... average. MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 pounds per square inch... (kg/kg-mole). MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 psia or 836.6...

40 CFR 98.253 - Calculating GHG emissions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... a flare. 0.001 = Unit conversion factor (metric tons per kilogram, mt/kg). n = Number of measurement... average. MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 pounds per square inch... (kg/kg-mole). MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 psia or 836.6...

40 CFR 98.253 - Calculating GHG emissions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... a flare. 0.001 = Unit conversion factor (metric tons per kilogram, mt/kg). n = Number of measurement... average. MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 pounds per square inch... (kg/kg-mole). MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 psia or 836.6...

40 CFR 98.253 - Calculating GHG emissions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... a flare. 0.001 = Unit conversion factor (metric tons per kilogram, mt/kg). n = Number of measurement... average. MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 pounds per square inch... (kg/kg-mole). MVC = Molar volume conversion factor (849.5 scf/kg-mole at 68 °F and 14.7 psia or 836.6...

RPI-AM and RPI-AF, a pair of mesh-based, size-adjustable adult male and female computational phantoms using ICRP-89 parameters and their calculations for organ doses from monoenergetic photon beams

NASA Astrophysics Data System (ADS)

Zhang, Juying; Hum Na, Yong; Caracappa, Peter F.; Xu, X. George

2009-10-01

This paper describes the development of a pair of adult male and adult female computational phantoms that are compatible with anatomical parameters for the 50th percentile population as specified by the International Commission on Radiological Protection (ICRP). The phantoms were designed entirely using polygonal mesh surfaces—a Boundary REPresentation (BREP) geometry that affords the ability to efficiently deform the shape and size of individual organs, as well as the body posture. A set of surface mesh models, from Anatomium™ 3D P1 V2.0, including 140 organs (out of 500 available) was adopted to supply the basic anatomical representation at the organ level. The organ masses were carefully adjusted to agree within 0.5% relative error with the reference values provided in the ICRP Publication 89. The finalized phantoms have been designated the RPI adult male (RPI-AM) and adult female (RPI-AF) phantoms. For the purposes of organ dose calculations using the MCNPX Monte Carlo code, these phantoms were subsequently converted to voxel formats. Monoenergetic photons between 10 keV and 10 MeV in six standard external photon source geometries were considered in this study: four parallel beams (anterior-posterior, posterior-anterior, left lateral and right lateral), one rotational and one isotropic. The results are tabulated as fluence-to-organ-absorbed-dose conversion coefficients and fluence-to-effective-dose conversion coefficients and compared against those derived from the ICRP computational phantoms, REX and REGINA. A general agreement was found for the effective dose from these two sets of phantoms for photon energies greater than about 300 keV. However, for low-energy photons and certain individual organs, the absorbed doses exhibit profound differences due to specific anatomical features. For example, the position of the arms affects the dose to the lung by more than 20% below 300 keV in the lateral source directions, and the vertical position of the testes affects the dose by more than 80% below 150 keV in the PA source direction. The deformability and adjustability of organs and posture in the RPI adult phantoms may prove useful not only for average workers or patients for radiation protection purposes, but also in studies involving anatomical and posture variability that is important in future radiation protection dosimetry.

Occupational exposure to radon for underground tourist routes in Poland: Doses to lung and the risk of developing lung cancer.

PubMed

Walczak, Katarzyna; Olszewski, Jerzy; Politański, Piotr; Zmyślony, Marek

2017-07-14

Radon concentrations for 31 Polish underground tourist routes were analyzed. The equivalent dose to the lung, the effective dose and the relative risk were calculated for employees of the analyzed routes on the grounds of information on radon concentrations, work time, etc. The relative risk for lung cancers was calculated using the Biological Effects of Ionizing Radiation (BEIR) VI Committee model. Equivalent doses to the lungs of workers were determined using the coefficients calculated by the Kendall and Smith. The conversion coefficient proposed by the International Atomic Energy Agency (IAEA) in the report No. 33 was used for estimating the effective doses. In 13 routes, the effective dose was found to be above 1 mSv/year, and in 3 routes, it exceeded 6 mSv/year. For 5 routes, the equivalent dose to lungs was higher than 100 mSv/year, and in 1 case it was as high as 490 mSv/year. In 22.6% of underground workplaces the risk of developing lung cancer among employees was about 2 times higher than that for the general population, and for 1 tourist route it was about 5 times higher. The geometric mean of the relative risk of lung cancer for all workers of underground tourist routes was 1.73 (95% confidence interval (CI): 1.6-1.87). Routes were divided into: caves, mines, post-military underground constructions and urban underground constructions. The difference between levels of the relative risk of developing lung cancer for all types of underground tourist routes was not found to be significant. If we include the professional group of the employees of underground tourist routes into the group of occupational exposure, the number of persons who are included in the Category A due to occupational exposure may increase by about 3/4. The professional group of the employees of underground tourist routes should be monitored for their exposure to radon. Int J Occup Med Environ Health 2017;30(5):687-694. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

Continuous Diffusion Model for Concentration Dependence of Nitroxide EPR Parameters in Normal and Supercooled Water.

PubMed

Merunka, Dalibor; Peric, Miroslav

2017-05-25

Electron paramagnetic resonance (EPR) spectra of radicals in solution depend on their relative motion, which modulates the Heisenberg spin exchange and dipole-dipole interactions between them. To gain information on radical diffusion from EPR spectra demands both reliable spectral fitting to find the concentration coefficients of EPR parameters and valid expressions between the concentration and diffusion coefficients. Here, we measured EPR spectra of the 14 N- and 15 N-labeled perdeuterated TEMPONE radicals in normal and supercooled water at various concentrations. By fitting the EPR spectra to the functions based on the modified Bloch equations, we obtained the concentration coefficients for the spin dephasing, coherence transfer, and hyperfine splitting parameters. Assuming the continuous diffusion model for radical motion, the diffusion coefficients of radicals were calculated from the concentration coefficients using the standard relations and the relations derived from the kinetic equations for the spin evolution of a radical pair. The latter relations give better agreement between the diffusion coefficients calculated from different concentration coefficients. The diffusion coefficients are similar for both radicals, which supports the presented method. They decrease with lowering temperature slower than is predicted by the Stokes-Einstein relation and slower than the rotational diffusion coefficients, which is similar to the diffusion of water molecules in supercooled water.

On the Decrease of the Oceanic Drag Coefficient in High Winds

NASA Astrophysics Data System (ADS)

Donelan, Mark A.

2018-02-01

The sheltering coefficient - prefixing Jeffreys' concept of the exponential wave growth rate at a gas-liquid interface - is shown to be Reynolds number dependent from laboratory measurements of waves and Reynolds stresses. There are two turbulent flow regimes: wind speed range of 2.5 to 30 m/s where the drag coefficients increase with wind speed, and wind speed range of 30 to 50 m/s where sheltering/drag coefficients decrease/saturate with wind speed. By comparing model calculations of drag coefficients - using a fixed sheltering coefficient - with ocean observations over a wind speed range of 1 to 50 m/s a similar Reynolds number dependence of the oceanic sheltering coefficient is revealed. In consequence the drag coefficient is a function of Reynolds number and wave age, and not just wind speed as frequently assumed. The resulting decreasing drag coefficient above 30 m/s is shown to be critical in explaining the rapid intensification so prominent in the climatology of Atlantic hurricanes. The Reynolds number dependence of the sheltering coefficient, when employed in coupled models, should lead to significant improvements in the prediction of intensification and decay of tropical cyclones. A calculation of curvature at the wave crest suggests that at wind speeds above 56.15 m/s all waves-breaking or not-induce steady flow separation leading to a minimum in the drag coefficient. This is further evidence of the veracity of the observations of the oceanic drag coefficient at high winds.

The effect of an infinite plane-wave approximation on calculations for second-harmonic generation in a one-dimensional nonlinear crystal

NASA Astrophysics Data System (ADS)

Zhao, Jing; Zhao, Li-Ming

2012-05-01

In this paper, the second-harmonic generation (SHG) in a one-dimensional nonlinear crystal that is embedded in air is investigated. Previously, the identical configuration was studied in Li Z. Y. et al., Phys. Rev. B, 60 (1999) 10644, without the use of the slowly varying amplitude approximation (SVAA), but by adopting the infinite plane-wave approximation (PWA), despite the fact that this approximation is not quite applicable to such a system. We calculate the SHG conversion efficiency without a PWA, and compare the results with those from the quoted reference. The investigation reveals that conversion efficiencies of SHG as calculated by the two methods appear to exhibit significant differences, and that the SHG may be modulated by the field of a fundamental wave (FW). The ratio between SHG conversion efficiencies as produced by the two methods shows a periodic variation, and this oscillatory behavior is fully consistent with the variation in transmittance of the FW. Quasi-phase matching (QPM) is also studied, and we find that the location of the peak for SHG conversion efficiency deviates from Δd=0, which differs from the conventional QPM results.

Estimation of the Adenoma Detection Rate From the Polyp Detection Rate by Using a Conversion Factor in a Predominantly Hispanic Population.

PubMed

Elhanafi, Sherif; Ortiz, Arleen M; Yarlagadda, Anita; Tsai, Cindy; Eloliby, Mohamed; Mallawaarachchi, Indika; Dwivedi, Alok; Zuckerman, Marc J; Othman, Mohamed O

2015-08-01

Calculating the adenoma detection rate (ADR) is a complex process in contrast to the polyp detection rate (PDR) that can be easily calculated. The average adenoma to polyp detection rate quotient (APDRQ) was proposed as a conversion factor to estimate the ADR for individual endoscopists from the endoscopist's PDR. However, this conversion factor was not validated in different practice settings. To validate the use of the proposed conversion factor in a practice setting with a predominantly Hispanic population. We conducted a retrospective, cross-sectional study (December 2007 to November 2012) of screening colonoscopies at a university practice setting with an 86.9% Hispanic population. The actual ADR and PDR were calculated for all endoscopists. The weighted average of ADR to PDR ratio for each endoscopist was used to obtain APDRQ. The APDRQ was used as a conversion multiplier to estimate each endoscopist's ADR using the single endoscopist's PDR. A total of 2148 screening colonoscopies were included. The average PDR for the whole group was 36.9% (range, 11% to 49%). The actual ADR was estimated as 25.5% (range, 11% to 37%). The average APDRQ for our group was 0.68. The estimated ADR was 25.48% (range, 8% to 33%). There was a high correlation between actual ADR and the estimated ADR (Pearson correlation=0.92). In a practice setting with a predominantly Hispanic population, a conversion factor can be used to estimate ADR from PDR providing a high degree of correlation with the actual ADR.

Translation of Bernstein Coefficients Under an Affine Mapping of the Unit Interval

NASA Technical Reports Server (NTRS)

Alford, John A., II

2012-01-01

We derive an expression connecting the coefficients of a polynomial expanded in the Bernstein basis to the coefficients of an equivalent expansion of the polynomial under an affine mapping of the domain. The expression may be useful in the calculation of bounds for multi-variate polynomials.

Molecular dynamics calculation of rotational diffusion coefficient of a carbon nanotube in fluid.

PubMed

Cao, Bing-Yang; Dong, Ruo-Yu

2014-01-21

Rotational diffusion processes are correlated with nanoparticle visualization and manipulation techniques, widely used in nanocomposites, nanofluids, bioscience, and so on. However, a systematical methodology of deriving this diffusivity is still lacking. In the current work, three molecular dynamics (MD) schemes, including equilibrium (Green-Kubo formula and Einstein relation) and nonequilibrium (Einstein-Smoluchowski relation) methods, are developed to calculate the rotational diffusion coefficient, taking a single rigid carbon nanotube in fluid argon as a case. We can conclude that the three methods produce same results on the basis of plenty of data with variation of the calculation parameters (tube length, diameter, fluid temperature, density, and viscosity), indicative of the validity and accuracy of the MD simulations. However, these results have a non-negligible deviation from the theoretical predictions of Tirado et al. [J. Chem. Phys. 81, 2047 (1984)], which may come from several unrevealed factors of the theory. The three MD methods proposed in this paper can also be applied to other situations of calculating rotational diffusion coefficient.

Enhancements in Deriving Smoke Emission Coefficients from Fire Radiative Power Measurements

NASA Technical Reports Server (NTRS)

Ellison, Luke; Ichoku, Charles

2011-01-01

Smoke emissions have long been quantified after-the-fact by simple multiplication of burned area, biomass density, fraction of above-ground biomass, and burn efficiency. A new algorithm has been suggested, as described in Ichoku & Kaufman (2005), for use in calculating smoke emissions directly from fire radiative power (FRP) measurements such that the latency and uncertainty associated with the previously listed variables are avoided. Application of this new, simpler and more direct algorithm is automatic, based only on a fire's FRP measurement and a predetermined coefficient of smoke emission for a given location. Attaining accurate coefficients of smoke emission is therefore critical to the success of this algorithm. In the aforementioned paper, an initial effort was made to derive coefficients of smoke emission for different large regions of interest using calculations of smoke emission rates from MODIS FRP and aerosol optical depth (AOD) measurements. Further work had resulted in a first draft of a 1 1 resolution map of these coefficients. This poster will present the work done to refine this algorithm toward the first production of global smoke emission coefficients. Main updates in the algorithm include: 1) inclusion of wind vectors to help refine several parameters, 2) defining new methods for calculating the fire-emitted AOD fractions, and 3) calculating smoke emission rates on a per-pixel basis and aggregating to grid cells instead of doing so later on in the process. In addition to a presentation of the methodology used to derive this product, maps displaying preliminary results as well as an outline of the future application of such a product into specific research opportunities will be shown.

Anomalous thermoelectric phenomena in lattice models of multi-Weyl semimetals

NASA Astrophysics Data System (ADS)

Gorbar, E. V.; Miransky, V. A.; Shovkovy, I. A.; Sukhachov, P. O.

2017-10-01

The thermoelectric transport coefficients are calculated in a generic lattice model of multi-Weyl semimetals with a broken time-reversal symmetry by using the Kubo's linear response theory. The contributions connected with the Berry curvature-induced electromagnetic orbital and heat magnetizations are systematically taken into account. It is shown that the thermoelectric transport is profoundly affected by the nontrivial topology of multi-Weyl semimetals. In particular, the calculation reveals a number of thermal coefficients of the topological origin which describe the anomalous Nernst and thermal Hall effects in the absence of background magnetic fields. Similarly to the anomalous Hall effect, all anomalous thermoelectric coefficients are proportional to the integer topological charge of the Weyl nodes. The dependence of the thermoelectric coefficients on the chemical potential and temperature is also studied.

Modified free volume theory of self-diffusion and molecular theory of shear viscosity of liquid carbon dioxide.

PubMed

Nasrabad, Afshin Eskandari; Laghaei, Rozita; Eu, Byung Chan

2005-04-28

In previous work on the density fluctuation theory of transport coefficients of liquids, it was necessary to use empirical self-diffusion coefficients to calculate the transport coefficients (e.g., shear viscosity of carbon dioxide). In this work, the necessity of empirical input of the self-diffusion coefficients in the calculation of shear viscosity is removed, and the theory is thus made a self-contained molecular theory of transport coefficients of liquids, albeit it contains an empirical parameter in the subcritical regime. The required self-diffusion coefficients of liquid carbon dioxide are calculated by using the modified free volume theory for which the generic van der Waals equation of state and Monte Carlo simulations are combined to accurately compute the mean free volume by means of statistical mechanics. They have been computed as a function of density along four different isotherms and isobars. A Lennard-Jones site-site interaction potential was used to model the molecular carbon dioxide interaction. The density and temperature dependence of the theoretical self-diffusion coefficients are shown to be in excellent agreement with experimental data when the minimum critical free volume is identified with the molecular volume. The self-diffusion coefficients thus computed are then used to compute the density and temperature dependence of the shear viscosity of liquid carbon dioxide by employing the density fluctuation theory formula for shear viscosity as reported in an earlier paper (J. Chem. Phys. 2000, 112, 7118). The theoretical shear viscosity is shown to be robust and yields excellent density and temperature dependence for carbon dioxide. The pair correlation function appearing in the theory has been computed by Monte Carlo simulations.

On the Ageing of High Energy Lithium-Ion Batteries—Comprehensive Electrochemical Diffusivity Studies of Harvested Nickel Manganese Cobalt Electrodes

PubMed Central

Jaguemont, Joris; Van Den Bossche, Peter; Omar, Noshin; Van Mierlo, Joeri

2018-01-01

This paper examines the impact of the characterisation technique considered for the determination of the Li+ solid state diffusion coefficient in uncycled as in cycled Nickel Manganese Cobalt oxide (NMC) electrodes. As major characterisation techniques, Cyclic Voltammetry (CV), Galvanostatic Intermittent Titration Technique (GITT) and Electrochemical Impedance Spectroscopy (EIS) were systematically investigated. Li+ diffusion coefficients during the lithiation process of the uncycled and cycled electrodes determined by CV at 3.71 V are shown to be equal to 3.48×10−10 cm2·s−1 and 1.56×10−10 cm2·s−1 , respectively. The dependency of the Li+ diffusion with the lithium content in the electrodes is further studied in this paper with GITT and EIS. Diffusion coefficients calculated by GITT and EIS characterisations are shown to be in the range between 1.76×10−15 cm2·s−1 and 4.06×10−12 cm2·s−1, while demonstrating the same decreasing trend with the lithiation process of the electrodes. For both electrode types, diffusion coefficients calculated by CV show greater values compared to those determined by GITT and EIS. With ageing, CV and EIS techniques lead to diffusion coefficients in the electrodes at 3.71 V that are decreasing, in contrast to GITT for which results indicate increasing diffusion coefficient. After long-term cycling, ratios of the diffusion coefficients determined by GITT compared to CV become more significant with an increase about 1 order of magnitude, while no significant variation is seen between the diffusion coefficients calculated from EIS in comparison to CV. PMID:29360787

On the Ageing of High Energy Lithium-Ion Batteries-Comprehensive Electrochemical Diffusivity Studies of Harvested Nickel Manganese Cobalt Electrodes.

PubMed

Capron, Odile; Gopalakrishnan, Rahul; Jaguemont, Joris; Van Den Bossche, Peter; Omar, Noshin; Van Mierlo, Joeri

2018-01-23

This paper examines the impact of the characterisation technique considered for the determination of the L i + solid state diffusion coefficient in uncycled as in cycled Nickel Manganese Cobalt oxide (NMC) electrodes. As major characterisation techniques, Cyclic Voltammetry (CV), Galvanostatic Intermittent Titration Technique (GITT) and Electrochemical Impedance Spectroscopy (EIS) were systematically investigated. L i + diffusion coefficients during the lithiation process of the uncycled and cycled electrodes determined by CV at 3.71 V are shown to be equal to 3 . 48 × 10 - 10 cm 2 ·s - 1 and 1 . 56 × 10 - 10 cm 2 ·s - 1 , respectively. The dependency of the L i + diffusion with the lithium content in the electrodes is further studied in this paper with GITT and EIS. Diffusion coefficients calculated by GITT and EIS characterisations are shown to be in the range between 1 . 76 × 10 - 15 cm 2 ·s - 1 and 4 . 06 × 10 - 12 cm 2 ·s - 1 , while demonstrating the same decreasing trend with the lithiation process of the electrodes. For both electrode types, diffusion coefficients calculated by CV show greater values compared to those determined by GITT and EIS. With ageing, CV and EIS techniques lead to diffusion coefficients in the electrodes at 3.71 V that are decreasing, in contrast to GITT for which results indicate increasing diffusion coefficient. After long-term cycling, ratios of the diffusion coefficients determined by GITT compared to CV become more significant with an increase about 1 order of magnitude, while no significant variation is seen between the diffusion coefficients calculated from EIS in comparison to CV.

Hyperfine excitation of CH in collisions with atomic and molecular hydrogen

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-04-01

We investigate here the excitation of methylidene (CH) induced by collisions with atomic and molecular hydrogen (H and H2). The hyperfine-resolved rate coefficients were obtained from close coupling nuclear-spin-free scattering calculations. The calculations are based upon recent, high-accuracy calculations of the CH(X2Π)-H(2S) and CH(X2Π)-H2 potential energy surfaces. Cross-sections and rate coefficients for collisions with atomic H, para-H2, and ortho-H2 were computed for all transitions between the 32 hyperfine levels for CH(X2Π) involving the n ≤ 4 rotational levels for temperatures between 10 and 300 K. These rate coefficients should significantly aid in the interpretation of astronomical observations of CH spectra. As a first application, the excitation of CH is simulated for conditions in typical molecular clouds.

MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems

USGS Publications Warehouse

Glynn, P.D.

1991-01-01

The computer code MBSSAS uses two-parameter Margules-type excess-free-energy of mixing equations to calculate thermodynamic equilibrium, pure-phase saturation, and stoichiometric saturation states in binary solid-solution aqueous-solution (SSAS) systems. Lippmann phase diagrams, Roozeboom diagrams, and distribution-coefficient diagrams can be constructed from the output data files, and also can be displayed by MBSSAS (on IBM-PC compatible computers). MBSSAS also will calculate accessory information, such as the location of miscibility gaps, spinodal gaps, critical-mixing points, alyotropic extrema, Henry's law solid-phase activity coefficients, and limiting distribution coefficients. Alternatively, MBSSAS can use such information (instead of the Margules, Guggenheim, or Thompson and Waldbaum excess-free-energy parameters) to calculate the appropriate excess-free-energy of mixing equation for any given SSAS system. ?? 1991.

Mass attenuation coefficient of binderless, pre-treated and tannin-based Rhizophora spp. particleboards using 16.59 - 25.26 keV photon energy range

NASA Astrophysics Data System (ADS)

Mohd Yusof, Mohd Fahmi; Hamid, Puteri Nor Khatijah Abdul; Bauk, Sabar; Hashim, Rokiah; Tajuddin, Abdul Aziz

2015-04-01

The Rhizophora spp. particleboards were fabricated using ≤ 104 µm particle size at three different fabrication methods; binderless, steam pre-treated and tannin-added. The mass attenuation coefficient of Rhizophora spp. particleboards were measured using x-ray fluorescent (XRF) photon from niobium, molybdenum, palladium, silver and tin metal plates that provided photon energy between 16.59 to 25.26 keV. The results were compared to theoretical values for water calculated using photon cross-section database (XCOM).The results showed that all Rhizophora spp. particleboards having mass attenuation coefficient close to calculated XCOM for water. Tannin-added Rizophora spp. particleboard was nearest to calculated XCOM for water with χ2 value of 13.008 followed by binderless Rizophora spp. (25.859) and pre-treated Rizophora spp. (91.941).

Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory

DOE PAGES

Sjostrom, Travis; Daligault, Jérôme

2015-12-09

We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the computational costs of the method do not increase with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warmmore » dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].« less

Chemical Conversion Pathways and Kinetic Modeling for the OH-Initiated Reaction of Triclosan in Gas-Phase

PubMed Central

Zhang, Xue; Zhang, Chenxi; Sun, Xiaomin; Kang, Lingyan; Zhao, Yan

2015-01-01

As a widely used antimicrobial additive in daily consumption, attention has been paid to the degradation and conversion of triclosan for a long time. The quantum chemistry calculation and the canonical variational transition state theory are employed to investigate the mechanism and kinetic property. Besides addition and abstraction, oxidation pathways and further conversion pathways are also considered. The OH radicals could degrade triclosan to phenols, aldehydes, and other easily degradable substances. The conversion mechanisms of triclosan to the polychlorinated dibenzopdioxin and furan (PCDD/Fs) and polychlorinated biphenyls (PCBs) are clearly illustrated and the toxicity would be strengthened in such pathways. Single radical and diradical pathways are compared to study the conversion mechanism of dichlorodibenzo dioxin (DCDD). Furthermore, thermochemistry is discussed in detail. Kinetic property is calculated and the consequent ratio of kadd/ktotal and kabs/ktotal at 298.15 K are 0.955 and 0.045, respectively. Thus, the OH radical addition reactions are predominant, the substitute position of OH radical on triclosan is very important to generate PCDD and furan, and biradical is also a vital intermediate to produce dioxin. PMID:25867482

Assessment of Areal Recharge to the Spokane Valley-Rathdrum Prairie Aquifer, Spokane County, Washington, and Bonner and Kootenai Counties, Idaho

USGS Publications Warehouse

Bartolino, James R.

2007-01-01

A numerical flow model of the Spokane Valley-Rathdrum Prairie aquifer currently (2007) being developed requires the input of values for areally-distributed recharge, a parameter that is often the most uncertain component of water budgets and ground-water flow models because it is virtually impossible to measure over large areas. Data from six active weather stations in and near the study area were used in four recharge-calculation techniques or approaches; the Langbein method, in which recharge is estimated on the basis of empirical data from other basins; a method developed by the U.S. Department of Agriculture (USDA), in which crop consumptive use and effective precipitation are first calculated and then subtracted from actual precipitation to yield an estimate of recharge; an approach developed as part of the Eastern Snake Plain Aquifer Model (ESPAM) Enhancement Project in which recharge is calculated on the basis of precipitation-recharge relations from other basins; and an approach in which reference evapotranspiration is calculated by the Food and Agriculture Organization (FAO) Penman-Monteith equation, crop consumptive use is determined (using a single or dual coefficient approach), and recharge is calculated. Annual recharge calculated by the Langbein method for the six weather stations was 4 percent of annual mean precipitation, yielding the lowest values of the methods discussed in this report, however, the Langbein method can be only applied to annual time periods. Mean monthly recharge calculated by the USDA method ranged from 53 to 73 percent of mean monthly precipitation. Mean annual recharge ranged from 64 to 69 percent of mean annual precipitation. Separate mean monthly recharge calculations were made with the ESPAM method using initial input parameters to represent thin-soil, thick-soil, and lava-rock conditions. The lava-rock parameters yielded the highest recharge values and the thick-soil parameters the lowest. For thin-soil parameters, calculated monthly recharge ranged from 10 to 29 percent of mean monthly precipitation and annual recharge ranged from 16 to 23 percent of mean annual precipitation. For thick-soil parameters, calculated monthly recharge ranged from 1 to 5 percent of mean monthly precipitation and mean annual recharge ranged from 2 to 4 percent of mean annual precipitation. For lava-rock parameters, calculated mean monthly recharge ranged from 37 to 57 percent of mean monthly precipitation and mean annual recharge ranged from 45 to 52 percent of mean annual precipitation. Single-coefficient (crop coefficient) FAO Penman-Monteith mean monthly recharge values were calculated for Spokane Weather Service Office (WSO) Airport, the only station for which the necessary meteorological data were available. Grass-referenced values of mean monthly recharge ranged from 0 to 81 percent of mean monthly precipitation and mean annual recharge was 21 percent of mean annual precipitation; alfalfa-referenced values of mean monthly recharge ranged from 0 to 85 percent of mean monthly precipitation and mean annual recharge was 24 percent of mean annual precipitation. Single-coefficient FAO Penman-Monteith calculations yielded a mean monthly recharge of zero during the eight warmest and driest months of the year (March-October). In order to refine the mean monthly recharge estimates, dual-coefficient (basal crop and soil evaporation coefficients) FAO Penman-Monteith dual-crop evapotranspiration and deep-percolation calculations were applied to daily values from the Spokane WSO Airport for January 1990 through December 2005. The resultant monthly totals display a temporal variability that is absent from the mean monthly values and demonstrate that the daily amount and timing of precipitation dramatically affect calculated recharge. The dual-coefficient FAO Penman-Monteith calculations were made for the remaining five stations using wind-speed values for Spokane WSO Airport and other assumptions regarding

Tapered holey fibers for spot-size and numerical-aperture conversion.

PubMed

Town, G E; Lizier, J T

2001-07-15

Adiabatically tapered holey fibers are shown to be potentially useful for guided-wave spot-size and numerical-aperture conversion. Conditions for adiabaticity and design guidelines are provided in terms of the effective-index model. We also present finite-difference time-domain calculations of downtapered holey fiber, showing that large spot-size conversion factors are obtainable with minimal loss by use of short, optimally shaped tapers.

Calculation of the octanol-water partition coefficient of armchair polyhex BN nanotubes

NASA Astrophysics Data System (ADS)

Mohammadinasab, E.; Pérez-Sánchez, H.; Goodarzi, M.

2017-12-01

A predictive model for determination partition coefficient (log P) of armchair polyhex BN nanotubes by using simple descriptors was built. The relationship between the octanol-water log P and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotubes with various lengths and fixed circumference are represented. Based on density functional theory electric moments and physico-chemical properties of those nanotubes are calculated.

Use of the Priestley-Taylor evaporation equation for soil water limited conditions in a small forest clearcut

USGS Publications Warehouse

Flint, A.L.; Childs, S.W.

1991-01-01

The Priestley-Taylor equation, a simplification of the Penman equation, was used to allow calculations of evapotranspiration under conditions where soil water supply limits evapotranspiration. The Priestley-Taylor coefficient, ??, was calculated to incorporate an exponential decrease in evapotranspiration as soil water content decreases. The method is appropriate for use when detailed meteorological measurements are not available. The data required to determine the parameter for the ?? coefficient are net radiation, soil heat flux, average air temperature, and soil water content. These values can be obtained from measurements or models. The dataset used in this report pertains to a partially vegetated clearcut forest site in southwest Oregon with soil depths ranging from 0.48 to 0.70 m and weathered bedrock below that. Evapotranspiration was estimated using the Bowen ratio method, and the calculated Priestley-Taylor coefficient was fitted to these estimates by nonlinear regression. The calculated Priestley-Taylor coefficient (?????) was found to be approximately 0.9 when the soil was near field capacity (0.225 cm3 cm-3). It was not until soil water content was less than 0.14 cm3 cm-3 that soil water supply limited evapotranspiration. The soil reached a final residual water content near 0.05 cm3 cm-3 at the end of the growing season. ?? 1991.

Effect of double-layer polarization on the forces that act on a nanosized cylindrical particle in an ac electrical field.

PubMed

Zhao, Hui; Bau, Haim H

2008-06-17

The polarization of, the forces acting on, and the electroosmotic flow field around a cylindrical particle of radius a* and uniform zeta potential zeta* submerged in an electrolyte solution and subjected to alternating electric fields are computed by solving the Poisson-Nernst-Planck (PNP) equations (the standard model). The dipole coefficient and the electrostatic and hydrodynamic forces are calculated as functions of the electric field's frequency, the solute concentration, and the particle's surface charge. The calculations are not restricted to small Debye screening lengths (lambdaD*). At relatively low frequencies, the polarization coefficient is nearly frequency-independent. As the frequency increases above D*/a*(2), where D* is the effective diffusion coefficient, the polarization coefficient initially increases, attains a maximum, and then decreases to an asymptotic value (when the frequency exceeds (1+Du)D*/lambdaD(*2), where Du is the Dukhin number). At low frequencies, when (lambdaD*/a*)(2)e(|zeta*F*/(2R*T*)|) < 1, the PNP calculations are in excellent agreement with the predictions of the Dukhin-Shilov (DS) low-frequency theory. At high frequencies, when lambda D*/a* < 1, the PNP calculations are in excellent agreement with the Maxwell-Wagner-O'Konski (MWO) theory.

Use of SCALE Continuous-Energy Monte Carlo Tools for Eigenvalue Sensitivity Coefficient Calculations

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

Perfetti, Christopher M; Rearden, Bradley T

2013-01-01

The TSUNAMI code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, such as quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the development of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The CLUTCH and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in themore » CE KENO framework to generate the capability for TSUNAMI-3D to perform eigenvalue sensitivity calculations in continuous-energy applications. This work explores the improvements in accuracy that can be gained in eigenvalue and eigenvalue sensitivity calculations through the use of the SCALE CE KENO and CE TSUNAMI continuous-energy Monte Carlo tools as compared to multigroup tools. The CE KENO and CE TSUNAMI tools were used to analyze two difficult models of critical benchmarks, and produced eigenvalue and eigenvalue sensitivity coefficient results that showed a marked improvement in accuracy. The CLUTCH sensitivity method in particular excelled in terms of efficiency and computational memory requirements.« less

First-Principles Calculation of the Third Virial Coefficient of Helium

PubMed Central

Garberoglio, Giovanni; Harvey, Allan H.

2009-01-01

Knowledge of the pair and three-body potential-energy surfaces of helium is now sufficient to allow calculation of the third density virial coefficient, C(T), with significantly smaller uncertainty than that of existing experimental data. In this work, we employ the best available pair and three-body potentials for helium and calculate C(T) with path-integral Monte Carlo (PIMC) calculations supplemented by semiclassical calculations. The values of C(T) presented extend from 24.5561 K to 10 000 K. In the important metrological range of temperatures near 273.16 K, our uncertainties are smaller than the best experimental results by approximately an order of magnitude, and the reduction in uncertainty at other temperatures is at least as great. For convenience in calculation of C(T) and its derivatives, a simple correlating equation is presented. PMID:27504226

Recent Update on Radiation Dose Assessment for the State-of-the-Art Coronary Computed Tomography Angiography Protocols.

PubMed

Tan, Sock Keow; Yeong, Chai Hong; Ng, Kwan Hoong; Abdul Aziz, Yang Faridah; Sun, Zhonghua

2016-01-01

This study aimed to measure the absorbed doses in selected organs for prospectively ECG-triggered coronary computed tomography angiography (CCTA) using five different generations CT scanners in a female adult anthropomorphic phantom and to estimate the effective dose (HE). Prospectively ECG-triggered CCTA was performed using five commercially available CT scanners: 64-detector-row single source CT (SSCT), 2 × 32-detector-row-dual source CT (DSCT), 2 × 64-detector-row DSCT and 320-detector-row SSCT scanners. Absorbed doses were measured in 34 organs using pre-calibrated optically stimulated luminescence dosimeters (OSLDs) placed inside a standard female adult anthropomorphic phantom. HE was calculated from the measured organ doses and compared to the HE derived from the air kerma-length product (PKL) using the conversion coefficient of 0.014 mSv∙mGy-1∙cm-1 for the chest region. Both breasts and lungs received the highest radiation dose during CCTA examination. The highest HE was received from 2 × 32-detector-row DSCT scanner (6.06 ± 0.72 mSv), followed by 64-detector-row SSCT (5.60 ± 0.68 and 5.02 ± 0.73 mSv), 2 × 64-detector-row DSCT (1.88 ± 0.25 mSv) and 320-detector-row SSCT (1.34 ± 0.48 mSv) scanners. HE calculated from the measured organ doses were about 38 to 53% higher than the HE derived from the PKL-to-HE conversion factor. The radiation doses received from a prospectively ECG-triggered CCTA are relatively small and are depending on the scanner technology and imaging protocols. HE as low as 1.34 and 1.88 mSv can be achieved in prospectively ECG-triggered CCTA using 320-detector-row SSCT and 2 × 64-detector-row DSCT scanners.

Temperature dependency of virus and nanoparticle transport and retention in saturated porous media

NASA Astrophysics Data System (ADS)

Sasidharan, Salini; Torkzaban, Saeed; Bradford, Scott A.; Cook, Peter G.; Gupta, Vadakattu V. S. R.

2017-01-01

The influence of temperature on virus (PRD1 and ΦX174) and carboxyl-modified latex nanoparticle (50 and 100 nm) attachment was examined in sand-packed columns under various physiochemical conditions. When the solution ionic strength (IS) equaled 10 and 30 mM, the attachment rate coefficient (katt) increased up to 109% (p < 0.0002) and the percentage of the sand surface area that contributed to attachment (Sf) increased up to 160% (p < 0.002) when the temperature was increased from 4 to 20 °C. Temperature effects at IS = 10 and 30 mM were also dependent on the system hydrodynamics; i.e., enhanced retention at a lower pore water velocity (0.1 m/day). Conversely, this same temperature increase had a negligible influence on katt and Sf values when IS was 1 mM or > 50 mM. An explanation for these observations was obtained from extended interaction energy calculations that considered nanoscale roughness and chemical heterogeneity on the sand surface. Interaction energy calculations demonstrated that the energy barrier to attachment in the primary minimum (ΔΦa) decreased with increasing IS, chemical heterogeneity, and temperature, especially in the presence of small amounts of nanoscale roughness (e.g., roughness fraction of 0.05 and height of 20 nm in the zone of influence). Temperature had a negligible effect on katt and Sf when the IS = 1 mM because of the large energy barrier, and at IS = 50 mM because of the absence of an energy barrier. Conversely, temperature had a large influence on katt and Sf when the IS was 10 and 30 mM because of the presence of a small ΔΦa on sand with nanoscale roughness and a chemical (positive zeta potential) heterogeneity. This has large implications for setting parameters for the accurate modeling and transport prediction of virus and nanoparticle contaminants in ground water systems.

Recent Update on Radiation Dose Assessment for the State-of-the-Art Coronary Computed Tomography Angiography Protocols

PubMed Central

Tan, Sock Keow; Yeong, Chai Hong; Ng, Kwan Hoong; Abdul Aziz, Yang Faridah; Sun, Zhonghua

2016-01-01

Objectives This study aimed to measure the absorbed doses in selected organs for prospectively ECG-triggered coronary computed tomography angiography (CCTA) using five different generations CT scanners in a female adult anthropomorphic phantom and to estimate the effective dose (HE). Materials and Methods Prospectively ECG-triggered CCTA was performed using five commercially available CT scanners: 64-detector-row single source CT (SSCT), 2 × 32-detector-row-dual source CT (DSCT), 2 × 64-detector-row DSCT and 320-detector-row SSCT scanners. Absorbed doses were measured in 34 organs using pre-calibrated optically stimulated luminescence dosimeters (OSLDs) placed inside a standard female adult anthropomorphic phantom. HE was calculated from the measured organ doses and compared to the HE derived from the air kerma-length product (PKL) using the conversion coefficient of 0.014 mSv∙mGy-1∙cm-1 for the chest region. Results Both breasts and lungs received the highest radiation dose during CCTA examination. The highest HE was received from 2 × 32-detector-row DSCT scanner (6.06 ± 0.72 mSv), followed by 64-detector-row SSCT (5.60 ± 0.68 and 5.02 ± 0.73 mSv), 2 × 64-detector-row DSCT (1.88 ± 0.25 mSv) and 320-detector-row SSCT (1.34 ± 0.48 mSv) scanners. HE calculated from the measured organ doses were about 38 to 53% higher than the HE derived from the PKL-to-HE conversion factor. Conclusion The radiation doses received from a prospectively ECG-triggered CCTA are relatively small and are depending on the scanner technology and imaging protocols. HE as low as 1.34 and 1.88 mSv can be achieved in prospectively ECG-triggered CCTA using 320-detector-row SSCT and 2 × 64-detector-row DSCT scanners. PMID:27552224

Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility

NASA Astrophysics Data System (ADS)

Jain, Amber; Herman, Michael F.; Ouyang, Wenjun; Subotnik, Joseph E.

2015-10-01

We provide an in-depth investigation of transmission coefficients as computed using the augmented-fewest switches surface hopping algorithm in the low energy regime. Empirically, microscopic reversibility is shown to hold approximately. Furthermore, we show that, in some circumstances, including decoherence on top of surface hopping calculations can help recover (as opposed to destroy) oscillations in the transmission coefficient as a function of energy; these oscillations can be studied analytically with semiclassical scattering theory. Finally, in the spirit of transition state theory, we also show that transmission coefficients can be calculated rather accurately starting from the curve crossing point and running trajectories forwards and backwards.

A new statistical method for transfer coefficient calculations in the framework of the general multiple-compartment model of transport for radionuclides in biological systems.

PubMed

Garcia, F; Arruda-Neto, J D; Manso, M V; Helene, O M; Vanin, V R; Rodriguez, O; Mesa, J; Likhachev, V P; Filho, J W; Deppman, A; Perez, G; Guzman, F; de Camargo, S P

1999-10-01

A new and simple statistical procedure (STATFLUX) for the calculation of transfer coefficients of radionuclide transport to animals and plants is proposed. The method is based on the general multiple-compartment model, which uses a system of linear equations involving geometrical volume considerations. By using experimentally available curves of radionuclide concentrations versus time, for each animal compartment (organs), flow parameters were estimated by employing a least-squares procedure, whose consistency is tested. Some numerical results are presented in order to compare the STATFLUX transfer coefficients with those from other works and experimental data.

Magnetic field dependence of Sommerfeld coefficient and penetration depth in NdFeAsO1-XFX single crystal

NASA Astrophysics Data System (ADS)

Purohit, Geetanjali; Pattanaik, Anup; Nayak, Pratibindhya

2018-05-01

Anisotropic properties of Sommerfeld coefficient and penetration depth for single crystal NdFeAsO1-xFx has been studied by using modified phenomenological Ginzburg-Landau (GL) theory. In the above two-band superconducting system, the calculated value of Sommerfeld coefficient shows very close proximity with the experimental result as reported by Welp. Further, anisotropic ratio of penetration depth also calculated and reported for this system. The results of anisotropic properties of the above superconducting system implied that modified GL-theory in the form presented here can be applicable to the above superconducting system.

Incorporation of detailed eye model into polygon-mesh versions of ICRP-110 reference phantoms

NASA Astrophysics Data System (ADS)

Tat Nguyen, Thang; Yeom, Yeon Soo; Kim, Han Sung; Wang, Zhao Jun; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E.; Lee, Choonsik; Chung, Beom Sun

2015-11-01

The dose coefficients for the eye lens reported in ICRP 2010 Publication 116 were calculated using both a stylized model and the ICRP-110 reference phantoms, according to the type of radiation, energy, and irradiation geometry. To maintain consistency of lens dose assessment, in the present study we incorporated the ICRP-116 detailed eye model into the converted polygon-mesh (PM) version of the ICRP-110 reference phantoms. After the incorporation, the dose coefficients for the eye lens were calculated and compared with those of the ICRP-116 data. The results showed generally a good agreement between the newly calculated lens dose coefficients and the values of ICRP 2010 Publication 116. Significant differences were found for some irradiation cases due mainly to the use of different types of phantoms. Considering that the PM version of the ICRP-110 reference phantoms preserve the original topology of the ICRP-110 reference phantoms, it is believed that the PM version phantoms, along with the detailed eye model, provide more reliable and consistent dose coefficients for the eye lens.

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

Liao, Haitao, E-mail: liaoht@cae.ac.cn

The direct differentiation and improved least squares shadowing methods are both developed for accurately and efficiently calculating the sensitivity coefficients of time averaged quantities for chaotic dynamical systems. The key idea is to recast the time averaged integration term in the form of differential equation before applying the sensitivity analysis method. An additional constraint-based equation which forms the augmented equations of motion is proposed to calculate the time averaged integration variable and the sensitivity coefficients are obtained as a result of solving the augmented differential equations. The application of the least squares shadowing formulation to the augmented equations results inmore » an explicit expression for the sensitivity coefficient which is dependent on the final state of the Lagrange multipliers. The LU factorization technique to calculate the Lagrange multipliers leads to a better performance for the convergence problem and the computational expense. Numerical experiments on a set of problems selected from the literature are presented to illustrate the developed methods. The numerical results demonstrate the correctness and effectiveness of the present approaches and some short impulsive sensitivity coefficients are observed by using the direct differentiation sensitivity analysis method.« less

Rotationally inelastic scattering of PN by para-H2(j = 0) at low/moderate temperature

NASA Astrophysics Data System (ADS)

Najar, F.; Naouai, M.; Hanini, H. El; Jaidane, N.

2017-12-01

Calculation of the collisional rate coefficients with the most abundant species has been motivated by the desire to interpret observations of molecules in the interstellar medium. This paper will be concerned with rotational excitation of the phosphorus nitride (PN) molecule in its ground vibrational state by collisions with para-H2(j = 0). Ab intio potential energy surface for the PN-H2 van der Waals system, considering both molecules as rigid rotors, was computed via CCSD(T) method using the aug-cc-pVTZ basis sets, augmented by a bond functions placed at midway between the PN and H2 centres of mass. Cross-sections among the 40 first rotational levels of PN in collisions with para-H2(j = 0) were obtained using close coupling and coupled states calculations, for total energies up to 3000 cm- 1. Rate coefficients are presented for temperatures ranging from 5 to 300 K. A strong propensity favouring even Δj transitions is found. The comparison of the new PN-H2 rate coefficients with previously calculated PN-He rate coefficients shows that significant differences exist.

Efficient sensitivity analysis method for chaotic dynamical systems

NASA Astrophysics Data System (ADS)

Liao, Haitao

2016-05-01

The direct differentiation and improved least squares shadowing methods are both developed for accurately and efficiently calculating the sensitivity coefficients of time averaged quantities for chaotic dynamical systems. The key idea is to recast the time averaged integration term in the form of differential equation before applying the sensitivity analysis method. An additional constraint-based equation which forms the augmented equations of motion is proposed to calculate the time averaged integration variable and the sensitivity coefficients are obtained as a result of solving the augmented differential equations. The application of the least squares shadowing formulation to the augmented equations results in an explicit expression for the sensitivity coefficient which is dependent on the final state of the Lagrange multipliers. The LU factorization technique to calculate the Lagrange multipliers leads to a better performance for the convergence problem and the computational expense. Numerical experiments on a set of problems selected from the literature are presented to illustrate the developed methods. The numerical results demonstrate the correctness and effectiveness of the present approaches and some short impulsive sensitivity coefficients are observed by using the direct differentiation sensitivity analysis method.

Auxiliary basis expansions for large-scale electronic structure calculations.

PubMed

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

2005-05-10

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