Excitation functions for (d,x) reactions on (133)Cs up to Ed=40MeV.

PubMed

Tárkányi, F; Ditrói, F; Takács, S; Hermanne, A; Baba, M; Ignatyuk, A V

2016-04-01

In the frame of a systematic study of excitation functions of deuteron induced reactions the excitation functions of the (133)Cs(d,x)(133m,133mg,131mg)Ba,(134,)(132)Cs and (12)(9m)Xe nuclear reactions were measured up to 40MeV deuteron energies by using the stacked foil irradiation technique and γ-ray spectroscopy of activated samples. The results were compared with calculations performed with the theoretical nuclear reaction codes ALICE-IPPE-D, EMPIRE II-D and TALYS calculation listed in the TENDL-2014 library. A moderate agreement was obtained. Based on the integral yields deduced from our measured cross sections, production of (131)Cs via the (133)Cs(d,4n)(131)Ba→(131)Cs reaction and (133)Ba via (133)Cs(d,2n) reactions is discussed in comparison with other charged particle production routes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Measurement of excitation functions in alpha induced reactions on natCu

NASA Astrophysics Data System (ADS)

Shahid, Muhammad; Kim, Kwangsoo; Kim, Guinyun; Zaman, Muhammad; Nadeem, Muhammad

2015-09-01

The excitation functions of 66,67,68Ga, 62,63,65Zn, 61,64Cu, and 58,60Co radionuclides in the natCu(α, x) reaction were measured in the energy range from 15 to 42 MeV by using a stacked-foil activation method at the MC-50 cyclotron of the Korean Institute of Radiological and Medical Sciences. The measured results were compared with the literature data as well as the theoretical values obtained from the TENDL-2013 and TENDL-2014 libraries based on the TALYS-1.6 code. The integral yields for thick targets of the produced radionuclides were also determined from the measured excitation functions and the stopping power of natural copper.

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

NASA Astrophysics Data System (ADS)

Kirsch, L. E.; Bernstein, L. A.

2018-06-01

A new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the use of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.

Study of activation cross-sections of deuteron induced reactions on rhodium up to 40 MeV

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Yamazaki, H.; Baba, M.; Mohammadi, A.; Ignatyuk, A. V.

2011-09-01

In the frame of a systematic study of the activation cross-sections of deuteron induced nuclear reactions, excitation functions of the 103Rh(d,x) 100,101,103Pd, 100g,101m,101g,102m,102gRh and 103gRu reactions were determined up to 40 MeV. Cross-sections were measured with the activation method using a stacked foil irradiation technique. Excitation functions of the contributing reactions were calculated using the ALICE-IPPE, EMPIRE-II and TALYS codes. From the measured cross-section data integral production yields were calculated and compared with experimental integral yield data reported in the literature. From the measured cross-sections and previous data, activation curves were deduced to support thin layer activation (TLA) on rhodium and Rh containing alloys.

Alpha-induced reactions on selenium between 11 and 15 MeV

NASA Astrophysics Data System (ADS)

Fiebiger, Stefan; Slavkovská, Zuzana; Giesen, Ulrich; Göbel, Kathrin; Heftrich, Tanja; Heiske, Annett; Reifarth, René; Schmidt, Stefan; Sonnabend, Kerstin; Thomas, Benedikt; Weigand, Mario

2017-07-01

The production of 77,79,85,85m Kr and 77Br via the reaction Se(α ,x) was investigated between {E}α =11 and 15 MeV using the activation technique. The irradiation of natural selenium targets on aluminum backings was conducted at the Physikalisch-Technische Bundesanstalt (PTB) in Braunschweig, Germany. The spectroscopic analysis of the reaction products was performed using a high-purity germanium detector located at PTB and a low energy photon spectrometer detector at the Goethe University Frankfurt, Germany. Thick-target yields were determined. The corresponding energy-dependent production cross sections of 77,79,85,85m Kr and 77Br were calculated from the thick-target yields. Good agreement between experimental data and theoretical predictions using the TALYS-1.6 code was found.

Activation cross section and isomeric cross section ratios for the (n ,2 n ) reaction on 153Eu

NASA Astrophysics Data System (ADS)

Luo, Junhua; Jiang, Li; Li, Suyuan

2017-10-01

The 153Eu(n ,2 n ) m1,m2,g152Eu cross section was measured by means of the activation technique at three neutron energies in the range 13-15 MeV. The quasimonoenergetic neutron beam was formed via the 3H(d ,n ) 4He reaction, in the Pd-300 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). The activities induced in the reaction products were measured using high-resolution γ-ray spectroscopy. The cross section of the population of the second high-spin (8-) isomeric state was measured along with the reaction cross section populating both the ground (3-) and the first isomeric state (0-). Cross sections were also evaluated theoretically using the numerical code TALYS-1.8, with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Activation cross-sections of proton induced reactions on vanadium in the 37-65 MeV energy range

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.

2016-08-01

Experimental excitation functions for proton induced reactions on natural vanadium in the 37-65 MeV energy range were measured with the activation method using a stacked foil irradiation technique. By using high resolution gamma spectrometry cross-section data for the production of 51,48Cr, 48V, 48,47,46,44m,44g,43Sc and 43,42K were determined. Comparisons with the earlier published data are presented and results predicted by different theoretical codes (EMPIRE and TALYS) are included. Thick target yields were calculated from a fit to our experimental excitation curves and compared with the earlier experimental yield data. Depth distribution curves to be used for thin layer activation (TLA) are also presented.

Measurement of activation cross-section of long-lived products in deuteron induced nuclear reactions on palladium in the 30-50MeV energy range.

PubMed

Ditrói, F; Tárkányi, F; Takács, S; Hermanne, A; Ignatyuk, A V

2017-10-01

Excitation functions were measured in the 31-49.2MeV energy range for the nat Pd(d,xn) 111,110m,106m,105,104g,103 Ag, nat Pd(d,x) 111m,109,101,100 Pd, nat Pd(d,x), 105,102m,102g,101m,101g,100,99m,99g Rh and nat Pd(d,x) 103,97 Ru nuclear reactions by using the stacked foil irradiation technique. The experimental results are compared with our previous results and with the theoretical predictions calculated with the ALICE-D, EMPIRE-D and TALYS (TENDL libraries) codes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Tungsten fragmentation in nuclear reactions induced by high-energy cosmic-ray protons

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

Chechenin, N. G., E-mail: chechenin@sinp.msu.ru; Chuvilskaya, T. V.; Shirokova, A. A.

2015-01-15

Tungsten fragmentation arising in nuclear reactions induced by cosmic-ray protons in space-vehicle electronics is considered. In modern technologies of integrated circuits featuring a three-dimensional layered architecture, tungsten is frequently used as a material for interlayer conducting connections. Within the preequilibrium model, tungsten-fragmentation features, including the cross sections for the elastic and inelastic scattering of protons of energy between 30 and 240 MeV; the yields of isotopes and isobars; their energy, charge, and mass distributions; and recoil energy spectra, are calculated on the basis of the TALYS and EMPIRE-II-19 codes. It is shown that tungsten fragmentation affects substantially forecasts of failuresmore » of space-vehicle electronics.« less

Thorium-232 fission induced by light charged particles up to 70 MeV

NASA Astrophysics Data System (ADS)

Métivier, Vincent; Duchemin, Charlotte; Guertin, Arnaud; Michel, Nathalie; Haddad, Férid

2017-09-01

Studies have been devoted to the production of alpha emitters for medical application in collaboration with the GIP ARRONAX that possesses a high energy and high intensity multi-particle cyclotron. The productions of Ra-223, Ac-225 and U-230 have been investigated from the Th-232(p,x) and Th-232(d,x) reactions using the stacked-foils method and gamma spectrometry measurements. These reactions have led to the production of several fission products, including some with a medical interest like Mo-99, Cd-115g and I-131. This article presents cross section data of fission products obtained from these undedicated experiments. These data have been also compared with the TALYS code results.

Determination of the Secondary Neutron Flux at the Massive Natural Uranium Spallation Target

NASA Astrophysics Data System (ADS)

Zeman, M.; Adam, J.; Baldin, A. A.; Furman, W. I.; Gustov, S. A.; Katovsky, K.; Khushvaktov, J.; Mar`in, I. I.; Novotny, F.; Solnyshkin, A. A.; Tichy, P.; Tsoupko-Sitnikov, V. M.; Tyutyunnikov, S. I.; Vespalec, R.; Vrzalova, J.; Wagner, V.; Zavorka, L.

The flux of secondary neutrons generated in collisions of the 660 MeV proton beam with the massive natural uranium spallation target was investigated using a set of monoisotopic threshold activation detectors. Sandwiches made of thin high-purity Al, Co, Au, and Bi metal foils were installed in different positions across the whole spallation target. The gamma-ray activity of products of (n,xn) and other studied reactions was measured offline with germanium semiconductor detectors. Reaction yields of radionuclides with half-life exceeding 100 min and with effective neutron energy thresholds between 3.6 MeV and 186 MeV provided us with information about the spectrum of spallation neutrons in this energy region and beyond. The experimental neutron flux was determined using the measured reaction yields and cross-sections calculated with the TALYS 1.8 nuclear reaction program and INCL4-ABLA event generator of MCNP6. Neutron spectra in the region of activation sandwiches were also modeled with the radiation transport code MCNPX 2.7. Neutron flux based on excitation functions from TALYS provides a reasonable description of the neutron spectrum inside the spallation target and is in good agreement with Monte-Carlo predictions. The experimental flux that uses INCL4 cross-sections rather underestimates the modeled spectrum in the whole region of interest, but the agreement within few standard deviations was reached as well. The paper summarizes basic principles of the method for determining the spectrum of high-energy neutrons without employing the spectral adjustment routines and points out to the need for model improvements and precise cross-section measurements.

Neutron-induced reactions on AlF3 studied using the optical model

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Lv, Cui-Juan; Zhang, Guo-Qiang; Wang, Hong-Wei; Zuo, Jia-Xu

2015-08-01

Neutron-induced reactions on 27Al and 19F nuclei are investigated using the optical model implemented in the TALYS 1.4 toolkit. Incident neutron energies in a wide range from 0.1 keV to 30 MeV are calculated. The cross sections for the main channels (n, np), (n, p), (n, α), (n, 2n), and (n, γ) and the total reaction cross section (n, tot) of the reactions are obtained. When the default parameters in TALYS 1.4 are adopted, the calculated results agree with the measured results. Based on the calculated results for the n + 27Al and n + 19F reactions, the results of the n + 27Al19F reactions are predicted. These results are useful both for the design of thorium-based molten salt reactors and for neutron activation analysis techniques.

Description of Differential Cross Sections for 63Cu + p Nuclear Reactions Induced by High-Energy Cosmic-Ray Protons

NASA Astrophysics Data System (ADS)

Chuvilskaya, T. V.; Shirokova, A. A.

2018-03-01

The results of calculation of 63Cu + p differential cross sections at incident-proton energies between 10 and 200 MeV and a comparative analysis of these results are presented as a continuation of the earlier work of our group on developing methods for calculating the contribution of nuclear reactions to radiative effects arising in the onboard spacecraft electronics under the action of high-energy cosmic-ray protons on 63Cu nuclei (generation of single-event upsets) and as a supplement to the earlier calculations performed on the basis of the TALYS code in order to determine elastic- and inelastic-scattering cross sections and charge, mass, and energy distributions of recoil nuclei (heavy products of the 63Cu + p nuclear reaction). The influence of various mechanisms of the angular distributions of particles emitted in the 63Cu + p nuclear reaction is also discussed.

Cross sections of deuteron induced reactions on (nat)Sm for production of the therapeutic radionuclide ¹⁴⁵Sm and ¹⁵³Sm.

PubMed

Tárkányi, F; Hermanne, A; Takács, S; Ditrói, F; Csikai, J; Ignatyuk, A V

2014-09-01

At present, targeted radiotherapy (TR) is acknowledged to have great potential in oncology. A large list of interesting radionuclides is identified, including several radioisotopes of lanthanides, amongst them (145)Sm and (153)Sm. In this work the possibility of their production at a cyclotron was investigated using a deuteron beam and a samarium target. The excitation functions of the (nat)Sm(d,x)(145,153)Sm reactions were determined for deuteron energies up to 50 MeV using the stacked-foil technique and high-resolution γ-ray spectrometry. The measured cross sections and the contributing reactions were analyzed by comparison with results of the ALICE, EMPIRE and TALYS nuclear reaction codes. A short overview and comparison of possible production routes is given. Copyright © 2014 Elsevier Ltd. All rights reserved.

Determination of the cross section for (n,p) and (n,α) reactions on (165)Ho at 13.5 and 14.8MeV.

PubMed

Luo, Junhua; An, Li; Jiang, Li; He, Long

2015-04-01

Activation cross-sections for the (165)Ho(n,p)(165)Dy and (165)Ho(n,α)(162)Tb reactions were measured by means of the activation method at 13.5 and 14.8MeV, to resolve inconsistencies in existing data. A neutron beam produced via the (3)H(d,n)(4)He reaction was used. Statistical model calculations were performed using the nuclear-reaction codes EMPIRE-3.2 Malta and TALYS-1.6 with default parameters, at neutron energies varying from the reaction threshold to 20MeV. Results are also discussed and compared with some corresponding values found in the literature. The calculational results on the (165)Ho(n,α)(162)Tb reaction agreed fairly well with experimental data, but there were large discrepancies in the results for the (165)Ho(n,p)(165)Dy reaction. Copyright © 2015 Elsevier Ltd. All rights reserved.

Proton and deuteron induced reactions on natGa: Experimental and calculated excitation functions

NASA Astrophysics Data System (ADS)

Hermanne, A.; Adam-Rebeles, R.; Tárkányi, F.; Takács, S.; Ditrói, F.

2015-09-01

Cross-sections for reactions on natGa, induced by protons (up to 65 MeV) and deuterons (up to 50 MeV), producing γ-emitting radionuclides with half-lives longer than 1 h were measured in a stacked-foil irradiation using thin Ga-Ni alloy (70-30%) targets electroplated on Cu or Au backings. Excitation functions for generation of 68,69Ge, 66,67,68,72Ga and 65,69mZn on natGa are discussed, relative to the monitor reactions natAl(d,x)24,22Na, natAl(p,x)24,22Na, natCu(p,x)62Zn and natNi(p,x)57Ni. The results are compared to our earlier measurements, the scarce literature values and to the results of the code TALYS 1.6 (online database TENDL-2014).

Subgroup A : nuclear model codes report to the Sixteenth Meeting of the WPEC

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

Talou, P.; Chadwick, M. B.; Dietrich, F. S.

2004-01-01

The Subgroup A activities focus on the development of nuclear reaction models and codes, used in evaluation work for nuclear reactions from the unresolved energy region up to the pion threshold production limit, and for target nuclides from the low teens and heavier. Much of the efforts are devoted by each participant to the continuing development of their own Institution codes. Progresses in this arena are reported in detail for each code in the present document. EMPIRE-II is of public access. The release of the TALYS code has been announced for the ND2004 Conference in Santa Fe, NM, October 2004.more » McGNASH is still under development and is not expected to be released in the very near future. In addition, Subgroup A members have demonstrated a growing interest in working on common modeling and codes capabilities, which would significantly reduce the amount of duplicate work, help manage efficiently the growing lines of existing codes, and render codes inter-comparison much easier. A recent and important activity of the Subgroup A has therefore been to develop the framework and the first bricks of the ModLib library, which is constituted of mostly independent pieces of codes written in Fortran 90 (and above) to be used in existing and future nuclear reaction codes. Significant progresses in the development of ModLib have been made during the past year. Several physics modules have been added to the library, and a few more have been planned in detail for the coming year.« less

Activation cross section and isomeric cross-section ratio for the 151Eu(n,2n)150m,gEu process

NASA Astrophysics Data System (ADS)

Luo, Junhua; Li, Suyuan; Jiang, Li

2018-07-01

The cross sections of 151Eu(n,2n)150m,gEu reactions and their isomeric cross section ratios σm/σt have been measured experimentally. Cross sections are measured, relative to a reference 93Nb(n,2n)92mNb reaction cross section, by means of the activation technique at three neutron energies 13.5, 14.1, and 14.8 MeV. Monoenergetic neutron beams were formed via the 3H(d,n)4He reaction and both Eu2O3 samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The activities induced in the reaction products were measured using high-resolution gamma ray spectroscopy. Cross sections were also evaluated theoretically using the numerical nuclear model code, TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20 MeV. Results are discussed and compared with the corresponding literature.

Cyclotron production of 48V via natTi(d,x)48V nuclear reaction; a promising radionuclide

NASA Astrophysics Data System (ADS)

Usman, A. R.; Khandaker, M. U.; Haba, H.

2017-06-01

In this experimental work, we studied the excitation function of natTi(d,x)48V nuclear reactions from 24 MeV down to threshold energy. Natural titanium foils were arranged in the popular stacked-foil method and activated with deuteron beam generated from an AVF cyclotron at RIKEN, Wako, Japan. The emitted γ activities from the activated foils were measured using an offline γ-ray spectrometry. The present results were analyzed, compared with earlier published experimental data and also with the evaluated data of Talys code. Our new measured data agree with some of the earlier reported experimental data while a partial agreement is found with the evaluated theoretical data. In addition to the use of 48V as a beam intensity monitor, recent studies indicate its potentials as calibrating source in PET cameras and also as a (radioactive) label for medical applications. The results are also expected to further enrich the experimental database and also to play an important role in nuclear reactions model codes design.

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

DOE PAGES

Kirsch, L. E.; Bernstein, L. A.

2018-03-04

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

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

Kirsch, L. E.; Bernstein, L. A.

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

Extension of the energy range of experimental activation cross-sections data of deuteron induced nuclear reactions on indium up to 50MeV.

PubMed

Tárkányi, F; Ditrói, F; Takács, S; Hermanne, A; Ignatyuk, A V

2015-11-01

The energy range of our earlier measured activation cross-sections data of longer-lived products of deuteron induced nuclear reactions on indium were extended from 40MeV up to 50MeV. The traditional stacked foil irradiation technique and non-destructive gamma spectrometry were used. No experimental data were found in literature for this higher energy range. Experimental cross-sections for the formation of the radionuclides (113,110)Sn, (116m,115m,114m,113m,111,110g,109)In and (115)Cd are reported in the 37-50MeV energy range, for production of (110)Sn and (110g,109)In these are the first measurements ever. The experimental data were compared with the results of cross section calculations of the ALICE and EMPIRE nuclear model codes and of the TALYS 1.6 nuclear model code as listed in the on-line library TENDL-2014. Copyright © 2015 Elsevier Ltd. All rights reserved.

Integral cross section measurement of the U 235 ( n , n ' ) U 235 m reaction in a pulsed reactor

DOE PAGES

Bélier, G.; Bond, E. M.; Vieira, D. J.; ...

2015-04-08

The integral measurement of the neutron inelastic cross section leading to the 26-minute half-life 235mU isomer in a fission-like neutron spectrum is presented. The experiment has been performed at a pulsed reactor, where the internal conversion decay of the isomer was measured using a dedicated electron detector after activation. The sample preparation, efficiency measurement, irradiation, radiochemistry purification, and isomer decay measurement will be presented. We determined the integral cross section for the ²³⁵U(n,n') 235mU reaction to be 1.00±0.13b. This result supports an evaluation performed with TALYS-1.4 code with respect to the isomer excitation as well as the total neutron inelasticmore » scattering cross section.« less

Experimentally constrained ( p , γ ) Y 89 and ( n , γ ) Y 89 reaction rates relevant to p -process nucleosynthesis

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

Larsen, A. C.; Guttormsen, M.; Schwengner, R.

The nuclear level density and the g-ray strength function have been extracted for 89Y, using the Oslo Method on 89Y(p,p'γ) 89Y coincidence data. The g-ray strength function displays a low-energy enhancement consistent with previous observations in this mass region ( 93-98Mo). Shell-model calculations give support that the observed enhancement is due to strong, low-energy M1 transitions at high excitation energies. The data were further used as input for calculations of the 88Sr(p,γ) 89Y and 88Y(n,γ) 89Y cross sections with the TALYS reaction code. Lastly, comparison with cross-section data, where available, as well as with values from the BRUSLIB library, showsmore » a satisfying agreement.« less

Experimentally constrained ( p , γ ) Y 89 and ( n , γ ) Y 89 reaction rates relevant to p -process nucleosynthesis

DOE PAGES

Larsen, A. C.; Guttormsen, M.; Schwengner, R.; ...

2016-04-21

The nuclear level density and the g-ray strength function have been extracted for 89Y, using the Oslo Method on 89Y(p,p'γ) 89Y coincidence data. The g-ray strength function displays a low-energy enhancement consistent with previous observations in this mass region ( 93-98Mo). Shell-model calculations give support that the observed enhancement is due to strong, low-energy M1 transitions at high excitation energies. The data were further used as input for calculations of the 88Sr(p,γ) 89Y and 88Y(n,γ) 89Y cross sections with the TALYS reaction code. Lastly, comparison with cross-section data, where available, as well as with values from the BRUSLIB library, showsmore » a satisfying agreement.« less

Production of medical isotopes from a thorium target irradiated by light charged particles up to 70 MeV

NASA Astrophysics Data System (ADS)

Duchemin, C.; Guertin, A.; Haddad, F.; Michel, N.; Métivier, V.

2015-02-01

The irradiation of a thorium target by light charged particles (protons and deuterons) leads to the production of several isotopes of medical interest. Direct nuclear reaction allows the production of Protactinium-230 which decays to Uranium-230 the mother nucleus of Thorium-226, a promising isotope for alpha radionuclide therapy. The fission of Thorium-232 produces fragments of interest like Molybdenum-99, Iodine-131 and Cadmium-115g. We focus our study on the production of these isotopes, performing new cross section measurements and calculating production yields. Our new sets of data are compared with the literature and the last version of the TALYS code.

Production of medical isotopes from a thorium target irradiated by light charged particles up to 70 MeV.

PubMed

Duchemin, C; Guertin, A; Haddad, F; Michel, N; Métivier, V

2015-02-07

The irradiation of a thorium target by light charged particles (protons and deuterons) leads to the production of several isotopes of medical interest. Direct nuclear reaction allows the production of Protactinium-230 which decays to Uranium-230 the mother nucleus of Thorium-226, a promising isotope for alpha radionuclide therapy. The fission of Thorium-232 produces fragments of interest like Molybdenum-99, Iodine-131 and Cadmium-115g. We focus our study on the production of these isotopes, performing new cross section measurements and calculating production yields. Our new sets of data are compared with the literature and the last version of the TALYS code.

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

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C 6D 6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the TALYS and EMPIRE nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimentalmore » (n,n 0) and (n,n 1) cross sections well.« less

Activation cross section and isomeric cross section ratio for the 76Ge(n,2n)75m,gGe process

NASA Astrophysics Data System (ADS)

Luo, Junhua; Jiang, Li; Wang, Xinxing

2018-04-01

We measured neutron-induced reaction cross sections for the 76Ge(n,2n)75m,gGe reactions and their isomeric cross section ratios σm/σg at three neutron energies between 13 and 15MeV by an activation and off-line γ-ray spectrometric technique using the K-400 Neutron Generator at the Chinese Academy of Engineering Physics (CAEP). Ge samples and Nb monitor foils were activated together to determine the reaction cross section and the incident neutron flux. The monoenergetic neutron beams were formed via the 3H( d, n)4He reaction. The pure cross section of the ground state was derived from the absolute cross section of the metastable state and the residual nuclear decay analysis. The cross sections were also calculated using the nuclear model code TALYS-1.8 with different level density options at neutron energies varying from the reaction threshold to 20MeV. Results are discussed and compared with the corresponding literature data.

197Au(n ,2 n ) reaction cross section in the 15-21 MeV energy range

NASA Astrophysics Data System (ADS)

Kalamara, A.; Vlastou, R.; Kokkoris, M.; Nicolis, N. G.; Patronis, N.; Serris, M.; Michalopoulou, V.; Stamatopoulos, A.; Lagoyannis, A.; Harissopulos, S.

2018-03-01

The cross section of the 197Au(n ,2 n )196Au reaction has been determined at six energies ranging from 15.3-20.9 MeV by means of the activation technique, relative to the 27Al(n ,α )24Na reaction. Quasimonoenergetic neutron beams were produced via the 3H(d ,n )4He reaction at the 5.5 MV Tandem T11/25 accelerator laboratory of NCSR "Demokritos". After the irradiations, the induced γ -ray activity of the target and reference foils was measured with high-resolution HPGe detectors. The cross section for the high spin isomeric state (12-) was determined along with the sum of the ground (2-), the first (5+), and second (12-) isomeric states. Theoretical calculations were carried out with the codes empire 3.2.2 and talys 1.8. Optimum input parameters were chosen in such a way as to simultaneously reproduce several experimental reaction channel cross sections in a satisfactory way, namely the (n ,elastic ), (n ,2 n ), (n ,3 n ), (n ,p ), (n ,α ), and (n ,total) ones.

Evaluation of nuclear reaction cross section data for the production of (87)Y and (88)Y via proton, deuteron and alpha-particle induced transmutations.

PubMed

Zaneb, H; Hussain, M; Amjad, N; Qaim, S M

2016-06-01

Proton, deuteron and alpha-particle induced reactions on (87,88)Sr, (nat)Zr and (85)Rb targets were evaluated for the production of (87,88)Y. The literature data were compared with nuclear model calculations using the codes ALICE-IPPE, TALYS 1.6 and EMPIRE 3.2. The evaluated cross sections were generated; therefrom thick target yields of (87,88)Y were calculated. Analysis of radio-yttrium impurities and yield showed that the (87)Sr(p, n)(87)Y and (88)Sr(p, n)(88)Y reactions are the best routes for the production of (87)Y and (88)Y respectively. The calculated yield for the (87)Sr(p, n)(87)Y reaction is 104 MBq/μAh in the energy range of 14→2.7MeV. Similarly, the calculated yield for the (88)Sr(p, n)(88)Y reaction is 3.2 MBq/μAh in the energy range of 15→7MeV. Copyright © 2016 Elsevier Ltd. All rights reserved.

Cross-section measurement for the 67Zn(n, α)64Ni reaction at 6.0 MeV

NASA Astrophysics Data System (ADS)

Zhang, Guohui; Wu, Hao; Zhang, Jiaguo; Liu, Jiaming; Chen, Jinxiang; Gledenov, Yu. M.; Sedysheva, M. V.; Khuukhenkhuu, G.; Szalanski, P. J.

2010-01-01

Up to now, no experimental cross-section data exist for the 67Zn ( n, α) 64Ni reaction in the MeV neutron energy region. In the present work, the cross-section of the 67Zn ( n, α) 64Ni reaction was measured at E n = 6.0 MeV. Experiments were performed at the Van de Graaff accelerator of Peking University, China. Fast neutrons were produced through the D ( d, n) 3He reaction using a deuterium gas target. Absolute neutron flux was determined by a small 238U fission chamber and a BF3 long counter was used as a neutron flux monitor. A twin gridded ionization chamber was employed as the α -particle detector and two back-to-back 67Zn samples were used for α events measurement. Background was measured and subtracted from foreground. The measured cross-section of the 67Zn ( n, α) 64Ni reaction was 7.3 (1±15%) mb at 6.0MeV. The present result was compared with existing evaluations and TALYS code calculations.

Extension of activation cross-section data of deuteron induced nuclear reactions on cadmium up to 50 MeV

NASA Astrophysics Data System (ADS)

Hermanne, A.; Tárkányi, F.; Takács, S.; Ditrói, F.

2016-10-01

The excitation functions for 109,110g,111m+g,113m,114m,115mIn, 107,109,115m,115gCd and 105g,106m,110g,111Ag are presented for stacked foil irradiations on natCd targets in the 49-33 MeV deuteron energy domain. Reduced uncertainty is obtained by determining incident particle flux and energy scale relative to re-measured monitor reactions natAl(d,x)22,24Na. The results were compared to our earlier studies on natCd and on enriched 112Cd targets. The merit of the values predicted by the TALYS 1.6 code (resulting from a weighted combination of reaction cross-section data on all stable Cd isotopes as available in the on-line libraries TENDL-2014 and TENDL-2015) is discussed. Influence on optimal production routes for several radionuclides with practical applications (111In, 114mIn, 115Cd, 109,107Cd….) is reviewed.

Determination of neutron capture cross sections of 232Th at 14.1 MeV and 14.8 MeV using the neutron activation method

NASA Astrophysics Data System (ADS)

Lan, Chang-Lin; Zhang, Yi; Lv, Tao; Xie, Bao-Lin; Peng, Meng; Yao, Ze-En; Chen, Jin-Gen; Kong, Xiang-Zhong

2017-04-01

The 232Th(n, γ)233Th neutron capture reaction cross sections were measured at average neutron energies of 14.1 MeV and 14.8 MeV using the activation method. The neutron flux was determined using the monitor reaction 27Al(n,α)24Na. The induced gamma-ray activities were measured using a low background gamma ray spectrometer equipped with a high resolution HPGe detector. The experimentally determined cross sections were compared with the data in the literature, and the evaluated data of ENDF/B-VII.1, JENDL-4.0u+, and CENDL-3.1. The excitation functions of the 232Th(n,γ)233Th reaction were also calculated theoretically using the TALYS1.6 computer code. Supported by Chinese TMSR Strategic Pioneer Science and Technology Project-The Th-U Fuel Physics Term (XDA02010100) and National Natural Science Foundation of China (11205076, 21327801)

Measurement of excitation functions and analysis of isomeric population in some reactions induced by proton on natural indium at low energy

NASA Astrophysics Data System (ADS)

Muhammed Shan, P. T.; Musthafa, M. M.; Najmunnisa, T.; Mohamed Aslam, P.; Rajesh, K. K.; Hajara, K.; Surendran, P.; Nair, J. P.; Shanbagh, Anil; Ghugre, S.

2018-06-01

The excitation functions for reaction residues populated via 115In(p , p) 115 mIn, 115In(p , pn) 114 mIn, 115In(p , p 2 n) 113 mIn, 113In(p , p) 113 mIn, 115In(p , nα) 111 mCd, 115In(p , 3 n) 113Sn and 113In(p , n) 113Sn channels were measured over the proton energy range of 8-22 MeV using stacked foil activation technique. Theoretical analysis of the data were performed within the framework of two statistical model codes EMPIRE-3.2 and TALYS-1.8. Isomeric cross section ratio for isomeric pairs m,g 115In, m,g 114In, m,g 113In, 113Sn m,g and m,g 111Cd were determined for the first time. The dependence of isomeric cross section ratio on various factors are analysed.

Measurement of the 115In(n,γ)116 m In reaction cross-section at the neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV

NASA Astrophysics Data System (ADS)

Lawriniang, Bioletty Mary; Badwar, Sylvia; Ghosh, Reetuparna; Jyrwa, Betylda; Vansola, Vibha; Naik, Haladhara; Goswami, Ashok; Naik, Yeshwant; Datrik, Chandra Shekhar; Gupta, Amit Kumar; Singh, Vijay Pal; Pol, Sudir Shibaji; Subramanyam, Nagaraju Balabenkata; Agarwal, Arun; Singh, Pitambar

2015-08-01

The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198Au reaction cross-section was used as the neutron flux monitor.The 115In(n,γ)116 m In reaction cross section at neutron energies of 1.12, 2.12, 3.12 and 4.12 MeV was determined by using an activation and off-line γ-ray spectrometric technique. The monoenergetic neutron energies of 1.12 - 4.12 MeV were generated from the 7Li(p,n) reaction by using proton beam with energies of 3 and 4 MeV from the folded tandem ion beam accelerator (FOTIA) at Bhabha Atomic Research Centre (BARC) and with energies of 5 and 6 MeV from the Pelletron facility at Tata Institute of Fundamental Research (TIFR), Mumbai. The 197Au(n,γ)198 Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated theoretically by using the computer code TALYS 1.6 and was found to be slightly lower than the experimental data from the present work and the literature.)198Au reaction cross-section was used as the neutron flux monitor. The 115In(n,γ)116 m In reaction cross-sections at neutron energies of 1.12 - 4.12 MeV were compared with the literature data and were found to be in good agreement with one set of data, but not with others. The 115In(n,γ)116 m In cross-section was also calculated theoretically by using the computer code TALYS 1.6 and was found to be slightly lower than the experimental data from the present work and the literature.

Measurement of 235U(n,n'γ) and 235U(n,2nγ) reaction cross sections

NASA Astrophysics Data System (ADS)

Kerveno, M.; Thiry, J. C.; Bacquias, A.; Borcea, C.; Dessagne, P.; Drohé, J. C.; Goriely, S.; Hilaire, S.; Jericha, E.; Karam, H.; Negret, A.; Pavlik, A.; Plompen, A. J. M.; Romain, P.; Rouki, C.; Rudolf, G.; Stanoiu, M.

2013-02-01

The design of generation IV nuclear reactors and the studies of new fuel cycles require knowledge of the cross sections of various nuclear reactions. Our research is focused on (n,xnγ) reactions occurring in these new reactors. The aim is to measure unknown cross sections and to reduce the uncertainty on present data for reactions and isotopes of interest for transmutation or advanced reactors. The present work studies the 235U(n,n'γ) and 235U(n,2nγ) reactions in the fast neutron energy domain (up to 20 MeV). The experiments were performed with the Geel electron linear accelerator GELINA, which delivers a pulsed white neutron beam. The time characteristics enable measuring neutron energies with the time-of-flight (TOF) technique. The neutron induced reactions [in this case inelastic scattering and (n,2n) reactions] are identified by on-line prompt γ spectroscopy with an experimental setup including four high-purity germanium (HPGe) detectors. A fission ionization chamber is used to monitor the incident neutron flux. The experimental setup and analysis methods are presented and the model calculations performed with the TALYS-1.2 code are discussed.

Neutron scattering cross section measurements for Fe 56

DOE PAGES

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.; ...

2017-06-09

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C 6D 6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the TALYS and EMPIRE nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimentalmore » (n,n 0) and (n,n 1) cross sections well.« less

Neutron scattering cross section measurements for 56Fe

NASA Astrophysics Data System (ADS)

Ramirez, A. P. D.; Vanhoy, J. R.; Hicks, S. F.; McEllistrem, M. T.; Peters, E. E.; Mukhopadhyay, S.; Harrison, T. D.; Howard, T. J.; Jackson, D. T.; Lenzen, P. D.; Nguyen, T. D.; Pecha, R. L.; Rice, B. G.; Thompson, B. K.; Yates, S. W.

2017-06-01

Elastic and inelastic differential cross sections for neutron scattering from 56Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C6D6 liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the talys and empire nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe the experimental (n ,n0 ) and (n ,n1 ) cross sections well.

Experimental cross-sections for proton induced nuclear reactions on mercury up to 65 MeV

NASA Astrophysics Data System (ADS)

Hermanne, A.; Tárkányi, F.; Takács, S.; Ditrói, F.; Szücs, Z.; Brezovcsik, K.

2016-07-01

Cross-sections for formation of activation products induced by protons on natural mercury targets were measured. Results for 196m,196g,197g(cum), 198m,198g,199g(cum), 200g(cum), 201,202Tl, 194g(cum), 195g(cum), 196g(cum), 198m,199g(cum) Au and 195m,197m,203Hg are presented up to 65 MeV incident particle energy, many of these for the first time. The experimental data are compared with literature values and with the predictions of the TALYS 1.6 code (results taken from TENDL-2015 on-line library), thick target yields were derived and possible applications in biomedical sciences are discussed.

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

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Re-measurement of the 33S(α ,p )36Cl cross section for early solar system nuclide enrichment

NASA Astrophysics Data System (ADS)

Anderson, Tyler; Skulski, Michael; Clark, Adam; Nelson, Austin; Ostdiek, Karen; Collon, Philippe; Chmiel, Greg; Woodruff, Tom; Caffee, Marc

2017-07-01

Short-lived radionuclides (SLRs) with half-lives less than 100 Myr are known to have existed around the time of the formation of the solar system around 4.5 billion years ago. Understanding the production sources for SLRs is important for improving our understanding of processes taking place just after solar system formation as well as their timescales. Early solar system models rely heavily on calculations from nuclear theory due to a lack of experimental data for the nuclear reactions taking place. In 2013, Bowers et al. measured 36Cl production cross sections via the 33S(α ,p ) reaction and reported cross sections that were systematically higher than predicted by Hauser-Feshbach codes. Soon after, a paper by Peter Mohr highlighted the challenges the new data would pose to current nuclear theory if verified. The 33S(α ,p )36Cl reaction was re-measured at five energies between 0.78 MeV/nucleon and 1.52 MeV/nucleon, in the same range as measured by Bowers et al., and found systematically lower cross sections than originally reported, with the new results in good agreement with the Hauser-Feshbach code talys. Loss of Cl carrier in chemical extraction and errors in determination of reaction energy ranges are both possible explanations for artificially inflated cross sections measured in the previous work.

Overview and evaluation of different nuclear level density models for the 123I radionuclide production.

PubMed

Nikjou, A; Sadeghi, M

2018-06-01

The 123 I radionuclide (T 1/2 = 13.22 h, β+ = 100%) is one of the most potent gamma emitters for nuclear medicine. In this study, the cyclotron production of this radionuclide via different nuclear reactions namely, the 121 Sb(α,2n), 122 Te(d,n), 123 Te(p,n), 124 Te(p,2n), 124 Xe(p,2n), 127 I(p,5n) and 127 I(d,6n) were investigated. The effect of the various phenomenological nuclear level density models such as Fermi gas model (FGM), Back-shifted Fermi gas model (BSFGM), Generalized superfluid model (GSM) and Enhanced generalized superfluid model (EGSM) moreover, the three microscopic level density models were evaluated for predicting of cross sections and production yield predictions. The SRIM code was used to obtain the target thickness. The 123 I excitation function of reactions were calculated by using of the TALYS-1.8, EMPIRE-3.2 nuclear codes and with data which taken from TENDL-2015 database, and finally the theoretical calculations were compared with reported experimental measurements in which taken from EXFOR database. Copyright © 2018 Elsevier Ltd. All rights reserved.

Measurement of formation cross-section of 99Mo from the 98Mo(n,γ) and 100Mo(n,2n) reactions.

PubMed

Badwar, Sylvia; Ghosh, Reetuparna; Lawriniang, Bioletty M; Vansola, Vibha; Sheela, Y S; Naik, Haladhara; Naik, Yeshwant; Suryanarayana, Saraswatula V; Jyrwa, Betylda; Ganesan, Srinivasan

2017-11-01

The formation cross-section of medical isotope 99 Mo from the 98 Mo(n,γ) reaction at the neutron energy of 0.025eV and from the 100 Mo(n,2n) reaction at the neutron energies of 11.9 and 15.75MeV have been determined by using activation and off-line γ-ray spectrometric technique. The thermal neutron energy of 0.025eV was used from the reactor critical facility at BARC, Mumbai, whereas the average neutron energies of 11.9 and 15.75MeV were generated using 7 Li(p,n) reaction in the Pelletron facility at TIFR, Mumbai. The experimentally determined cross-sections were compared with the evaluated nuclear data libraries of ENDF/B-VII.1, CENDL-3.1, JENDL-4.0 and JEFF-3.2 and are found to be in close agreement. The 100 Mo(n,2n) 99 Mo reaction cross-sections were also calculated theoretically by using TALYS-1.8 and EMPIRE-3.2 computer codes and compared with the experimental data. Copyright © 2017 Elsevier Ltd. All rights reserved.

Study of {sup 179}Hf{sup m2} excitation

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

Vishnevsky, I. N.; Zheltonozhsky, V. A., E-mail: zhelton@kinr.kiev.ua; Savrasov, A. N.

Isomeric ratios of {sup 179}Hf{sup m2,g} yields in the (γ, n) reaction and the cross section for the {sup 179}Hf{sup m2} population in the (α, p) reaction are measured for the first time at the end-point energies of 15.1 and 17.5 MeV for bremsstrahlung photons and 26 MeV for alpha particles. The results are σ = (1.1 ± 0.11) × 10{sup −27} cm{sup 2} for the {sup 176}Lu(α, p){sup 179}Hf{sup m2} reaction and Y{sub m2}/Y{sub g} = (6.1 ± 0.3) × 10{sup −6} and (3.7 ± 0.2) × 10{sup −6} for the {sup 180}Hf(γ, n){sup 179}Hf{sup m22} reaction at E{submore » ep} =15.1 and 17.5 MeV, respectively. The experimental data on the relative {sup 179}Hf{sup m2} yield indicate a single-humped shape of the excitation function for the {sup 180}Hf(γ, n){sup 179}Hf{sup m2} reaction. Simulation is performed using the TALYS-1.4 and EMPIRE-3.2 codes.« less

Bruyères-le-Châtel Neutron Evaluations of Actinides with the TALYS Code: The Fission Channel

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

Romain, P., E-mail: pascal.romain@cea.fr; Morillon, B.; Duarte, H.

For several years, various neutron evaluations of plutonium and uranium isotopes have been performed at Bruyères-le-Châtel (BRC), from 1 keV up to 30 MeV. Since only nuclear reaction models have been used to produce these evaluations, our approach was named the “Full Model” approach. Total, shape elastic and direct inelastic cross sections were obtained from the coupled channels model using a dispersive optical potential developed for actinides, with a large enough coupling scheme including the lowest octupolar band. All other cross sections were calculated using the Hauser-Feshbach theory (TALYS code) with a pre-equilibrium component above 8–10 MeV. In this paper,more » we focus our attention on the fission channel. More precisely, we will present the BRC contribution to fission modeling and the philosophy adopted in our “Full Model” approach. Performing evaluations with the “Full Model” approach implies the optimization of a large number of model parameters. With increasing neutron incident energy, many residual nuclei produced by nucleon emission also lead to fission. All available experimental data assigned to various fission mechanisms of the same nucleus were used to determine fission barrier parameters. For uranium isotopes, triple-humped fission barriers were required in order to reproduce accurately variations of the experimental fission cross sections. Our BRC fission modeling has shown that the effects of the class II or class III states located in the wells of the fission barrier sometimes provide an anti-resonant transmission rather than a resonant one. Consistent evaluations were produced for a large series of U and Pu isotopes. Resulting files were tested against integral data.« less

Cross sections of the 144Sm(n,α)141Nd and 66Zn(n,α)63Ni reactions at 4.0, 5.0 and 6.0 MeV

NASA Astrophysics Data System (ADS)

Yury, Gledenov; Guohui, Zhang; Khuukhenkhuu, Gonchigdorj; Milana, Sedysheva; Lubos, Krupa; Sansarbayar, Enkhbold; Igor, Chuprakov; Zhimin, Wang; Xiao, Fan; Luyu, Zhang; Huaiyong, Bai

2017-09-01

Cross sections of the 144Sm(n,α)141Nd and 66Zn(n,α)63Ni reactions were measured at En = 4.0, 5.0 and 6.0 MeV performed at the 4.5-MV Van de Graaff Accelerator of Peking University, China. A double-section gridded ionization chamber was used to detect the alpha particles. The foil samples of 144Sm2O3 and enriched 66Zn were placed at the common cathode plate of the chamber. Monoenergetic neutrons were produced by a deuterium gas target through the 2H(d,n)3He reaction. The neutron flux was monitored by a BF3 long counter. Cross sections of the 238U(n,f) reaction were used as the standard to perform the (n,α) reaction measurement. Present results are compared with existing measurements and evaluations. They are generally in agreement with TALYS-1.6 code calculations. For the 144Sm(n,α)141Nd reaction our measurements support the data of JEF-2.2. For the 66Zn(n,α)63Ni reaction present results support the data of EAF-2010 and TENDL-2015 data.

Alpha particle induced reactions on natCr up to 39 MeV: Experimental cross-sections, comparison with theoretical calculations and thick target yields for medically relevant 52gFe production

NASA Astrophysics Data System (ADS)

Hermanne, A.; Adam Rebeles, R.; Tárkányi, F.; Takács, S.

2015-08-01

Thin natCr targets were obtained by electroplating, using 23.75 μm Cu foils as backings. In five stacked foil irradiations, followed by high resolution gamma spectroscopy, the cross sections for production of 52gFe, 49,51cumCr, 52cum,54,56cumMn and 48cumV in Cr and 61Cu,68Ga in Cu were measured up to 39 MeV incident α-particle energy. Reduced uncertainty is obtained by simultaneous remeasurement of the natCu(α,x)67,66Ga monitor reactions over the whole energy range. Comparisons with the scarce literature values and results from the TENDL-2013 on-line library, based on the theoretical code family TALYS-1.6, were made. A discussion of the production routes for 52gFe with achievable yields and contamination rates was made.

Double differential light charged particle emission cross sections for some structural fusion materials

NASA Astrophysics Data System (ADS)

Sarpün, Ismail Hakki; n, Abdullah Aydı; Tel, Eyyup

2017-09-01

In fusion reactors, neutron induced radioactivity strongly depends on the irradiated material. So, a proper selection of structural materials will have been limited the radioactive inventory in a fusion reactor. First-wall and blanket components have high radioactivity concentration due to being the most flux-exposed structures. The main objective of fusion structural material research is the development and selection of materials for reactor components with good thermo-mechanical and physical properties, coupled with low-activation characteristics. Double differential light charged particle emission cross section, which is a fundamental data to determine nuclear heating and material damages in structural fusion material research, for some elements target nuclei have been calculated by the TALYS 1.8 nuclear reaction code at 14-15 MeV neutron incident energy and compared with available experimental data in EXFOR library. Direct, compound and pre-equilibrium reaction contribution have been theoretically calculated and dominant contribution have been determined for each emission of proton, deuteron and alpha particle.

Capture and photonuclear reaction rates involving charged-particles: Impacts of nuclear ingredients and future measurement on ELI-NP

NASA Astrophysics Data System (ADS)

Xu, Y.; Goriely, S.; Balabanski, D. L.; Chesnevskaya, S.; Guardo, G. L.; La Cognata, M.; Lan, H. Y.; Lattuada, D.; Luo, W.; Matei, C.

2018-05-01

The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the impact of nuclear ingredients, especially the nuclear potential, level density and strength function, to the astrophysical re-action rates of (p,γ), (α,γ), (γ,p), and (γ,α) reactions are systematically studied. The calculations are performed basad on the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12≤Z≤110. In particular, both of the Wood-Saxon potential and the microscopic folding potential are taken into account. It is found that both the capture and photonuclear reaction rates are very sensitive to the nuclear potential, thus the better determination of nuclear potential would be important to reduce the uncertainties of reaction rates. Meanwhile, the Extreme Light Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

Photonuclear reactions in astrophysical p-process: Theoretical calculations and experiment simulation based on ELI-NP

NASA Astrophysics Data System (ADS)

Xu, Yi; Luo, Wen; Balabanski, Dimiter; Goriely, Stephane; Matei, Catalin; Tesileanu, Ovidiu

2017-09-01

The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the astrophysical reaction rates of (γ,n), (γ,p), and (γ,α) reactions are computed within the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12 < Z < 110. The nuclear structure ingredients involved in the calculation are determined from experimental data whenever available and, if not, from global microscopic nuclear models. In particular, both of the Wood-Saxon potential and the double folding potential with density dependent M3Y (DDM3Y) effective interaction are used for the calculations. It is found that the photonuclear reaction rates are very sensitive to the nuclear potential, and the better determination of nuclear potential would be important to reduce the uncertainties of reaction rates. Meanwhile, the Extreme Light Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

Calculated differential and double differential cross section of DT neutron induced reactions on natural chromium (Cr)

NASA Astrophysics Data System (ADS)

Rajput, Mayank; Vala, Sudhirsinh; Srinivasan, R.; Abhangi, M.; Subhash, P. V.; Pandey, B.; Rao, C. V. S.; Bora, D.

2018-01-01

Chromium is an important alloying element of stainless steel (SS) and SS is the main constituent of structural material proposed for fusion reactors. Energy and double differential cross section data will be required to estimate nuclear responses in the materials used in fusion reactors. There are no experimental data of energy and double differential cross section, available for neutron induced reactions on natural chromium at 14 MeV neutron energy. In this study, energy and double differential cross section data of (n,p) and (n,α) reactions for all the stable isotopes of chromium have been estimated, using appropriate nuclear models in TALYS code. The cross section data of stable isotopes are later converted into the energy and double differential cross section data of natural Cr using the isotopic abundance. The contribution from compound, pre-equilibrium and direct nuclear reaction to total reaction have also been calculated for 52,50Cr(n,p) and 52Cr(n,α). The calculation of energy differential cross section shows that most of emitted protons and alpha particles are of 3 and 8 MeV respectively. The calculated data is compared with the data from EXFOR data library and is found to be in good agreement.

Cross section measurements for neutron inelastic scattering and the ( n ,   2 n γ ) reaction on Pb 206

DOE PAGES

Negret, A.; Mihailescu, L. C.; Borcea, C.; ...

2015-06-30

We measured excitation functions for γ production associated with the neutron inelastic scattering and the (n, 2n) reactions on 206Pb from threshold up to 18 MeV for about 40 transitions. Two independent measurements were performed using different samples and acquisition systems to check consistency of the results. Moreover, the neutron flux was determined with a 235U fission chamber and a procedure that were validated against a fluence standard. For incident energy higher than the threshold for the first excited level and up to 3.5 MeV, estimates are provided for the total inelastic and level cross sections by combining the presentmore » γ production cross sections with the level and decay data of 206Pb reported in the literature. The uncertainty common to all incident energies is 3.0% allowing overall uncertainties from 3.3% to 30% depending on transition and neutron energy. Finally, the present data agree well with earlier work, but significantly expand the experimental database while comparisons with model calculations using the talys reaction code show good agreement over the full energy range.« less

Teaching and Learning International Survey TALIS 2013: Conceptual Framework. Final

ERIC Educational Resources Information Center

Rutkowski, David; Rutkowski, Leslie; Bélanger, Julie; Knoll, Steffen; Weatherby, Kristen; Prusinski, Ellen

2013-01-01

In 2008, the initial cycle of the OECD's Teaching and Learning International Survey (TALIS 2008) established, for the first time, an international, large-scale survey of the teaching workforce, the conditions of teaching, and the learning environments of schools in participating countries. The second cycle of TALIS (TALIS 2013) aims to continue…

64Cu, a powerful positron emitter for immunoimaging and theranostic: Production via natZnO and natZnO-NPs.

PubMed

Karimi, Zahra; Sadeghi, Mahdi; Mataji-Kojouri, Naimeddin

2018-07-01

64 Cu is one of the most beneficial radionuclide that can be used as a theranostic agent in Positron Emission Tomography (PET) imaging. In this current work, 64 Cu was produced with zinc oxide nanoparticles ( nat ZnONPs) and zinc oxide powder ( nat ZnO) via the 64 Zn(n,p) 64 Cu reaction in Tehran Research Reactor (TRR) and the activity values were compared with each other. The theoretical activity of 64 Cu also was calculated with MCNPX-2.6 and the cross sections of this reaction were calculated by using TALYS-1.8, EMPIRE-3.2.2 and ALICE/ASH nuclear codes and were compared with experimental values. Transmission Electronic Microscopy (TEM), Scanning Electronic Microscopy (SEM) and X-Ray Diffraction (XRD) analysis were used for samples characterizations. From these results, it's concluded that 64 Cu activity value with nanoscale target was achieved more than the bulk state target and had a good adaptation with the MCNPX result. Copyright © 2018 Elsevier Ltd. All rights reserved.

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

Guttormsen, M.; Goriely, S.; Larsen, A. C.

Here, nuclear level densities (NLDs) and γ-ray strength functions (γSFs) have been extracted from particle-γ coincidences of the 92Zr(p,p´γ) 92Zr and 92Zr (p,dγ) 91Zr reactions using the Oslo method. The new 91,92Zr γSF data, combined with photonuclear cross sections, cover the whole energy range from Eγ ≈ 1.5 MeV up to the giant dipole resonance at Eγ ≈ 17 MeV. The wide-range γSF data display structures at Eγ ≈ 9.5 MeV, compatible with a superposition of the spin-flip M1 resonance and a pygmy E1 resonance. Furthermore, the γSF shows a minimum at Eγ ≈ 2–3 MeV and an increase atmore » lower γ-ray energies. The experimentally constrained NLDs and γSFs are shown to reproduce known (n,γ) and Maxwellian-averaged cross sections for 91,92Zr using the TALYS reaction code, thus serving as a benchmark for this indirect method of estimating (n,γ) cross sections for Zr isotopes.« less

Analysis of isomeric ratios for medium-mass nuclei

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

Danagulyan, A. S.; Hovhannisyan, G. H., E-mail: hov-gohar@ysu.am; Bakhshiyan, T. M.

Values of the isomeric ratios for product nuclei originating from simple charge-exchange reactions were analyzed. The cross sections for the formation of product nuclei in ground and isomeric states were calculated with the aid of the TALYS 1.4 and EMPIRE 3.2 codes. The calculated values of the isomeric ratios were compared with their experimental counterparts taken from the EXFOR database. For the {sup 86,87}Y, {sup 94,95,96,99}Tc, and {sup 44}Sc nuclei, the experimental values of the isomeric ratios exceed the respective calculated values. The nuclei in question feature weak deformations and have high-spin yrast lines and rotational bands. The possible reasonmore » behind the discrepancy between theoretical and experimental isomeric ratios is that the decay of yrast states leads with a high probability to the formation of isomeric states of detected product nuclei.« less

94 Mo(γ,n) and 90Zr(γ,n) cross-section measurements towards understanding the origin of p-nuclei

NASA Astrophysics Data System (ADS)

Meekins, E.; Banu, A.; Karwowski, H.; Silano, J.; Zimmerman, W.; Muller, J.; Rich, G.; Bhike, M.; Tornow, W.; McClesky, M.; Travaglio, C.

2014-09-01

The nucleosynthesis beyond iron of the rarest stable isotopes in the cosmos, the so-called p-nuclei, is one of the forefront topics in nuclear astrophysics. Recently, a stellar source was found that, for the first time, was able to produce both light and heavy p-nuclei almost at the same level as 56Fe, including the most debated 92,94Mo and 96,98Ru; it was also found that there is an important contribution from the p-process nucleosynthesis to the neutron magic nucleus 90Zr. We focus here on constraining the origin of p-nuclei through nuclear physics by studying two key astrophysical photoneutron reaction cross sections for 94Mo(γ,n) and 90Zr(γ,n). Their energy dependencies were measured using quasi-monochromatic photon beams from Duke University's High Intensity Gamma-ray Source facility at the respective neutron threshold energies up to 18 MeV. Preliminary results of these experimental cross sections will be presented along with their comparison to predictions by a statistical model based on the Hauser-Feshbach formalism implemented in codes like TALYS and SMARAGD. The nucleosynthesis beyond iron of the rarest stable isotopes in the cosmos, the so-called p-nuclei, is one of the forefront topics in nuclear astrophysics. Recently, a stellar source was found that, for the first time, was able to produce both light and heavy p-nuclei almost at the same level as 56Fe, including the most debated 92,94Mo and 96,98Ru; it was also found that there is an important contribution from the p-process nucleosynthesis to the neutron magic nucleus 90Zr. We focus here on constraining the origin of p-nuclei through nuclear physics by studying two key astrophysical photoneutron reaction cross sections for 94Mo(γ,n) and 90Zr(γ,n). Their energy dependencies were measured using quasi-monochromatic photon beams from Duke University's High Intensity Gamma-ray Source facility at the respective neutron threshold energies up to 18 MeV. Preliminary results of these experimental cross sections will be presented along with their comparison to predictions by a statistical model based on the Hauser-Feshbach formalism implemented in codes like TALYS and SMARAGD. This research was supported by the Research Corporation for Science Advancement.

Production of scandium-44 m and scandium-44 g with deuterons on calcium-44: cross section measurements and production yield calculations.

PubMed

Duchemin, C; Guertin, A; Haddad, F; Michel, N; Métivier, V

2015-09-07

HIGHLIGHTS • Production of Sc-44 m, Sc-44 g and contaminants. • Experimental values determined using the stacked-foil technique. • Thick-Target production Yield (TTY) calculations. • Comparison with the TALYS code version 1.6.Among the large number of radionuclides of medical interest, Sc-44 is promising for PET imaging. Either the ground-state Sc-44 g or the metastable-state Sc-44 m can be used for such applications, depending on the molecule used as vector. This study compares the production rates of both Sc-44 states, when protons or deuterons are used as projectiles on an enriched Calcium-44 target. This work presents the first set of data for the deuteron route. The results are compared with the TALYS code. The Thick-Target production Yields of Sc-44 m and Sc-44 g are calculated and compared with those for the proton route for three different scenarios: the production of Sc-44 g for conventional PET imaging, its production for the new 3 γ imaging technique developed at the SUBATECH laboratory and the production of a Sc-44 m/Sc-44 g in vivo generator for antibody labelling.

Investigation of activation cross section data of alpha particle induced nuclear reaction on molybdenum up to 40 MeV: Review of production routes of medically relevant 97,103Ru

NASA Astrophysics Data System (ADS)

Tárkányi, F.; Hermanne, A.; Ditrói, F.; Takács, S.; Ignatyuk, A.

2017-05-01

The main goals of this investigations were to expand and consolidate reliable activation cross-section data for the natMo(α,x) reactions in connection with production of medically relevant 97,103Ru and the use of the natMo(α,x)97Ru reaction for monitoring beam parameters. The excitation functions for formation of the gamma-emitting radionuclides 94Ru, 95Ru, 97Ru, 103Ru, 93mTc, 93gTc(m+), 94mTc, 94gTc, 95mTc, 95gTc, 96gTc(m+), 99mTc, 93mMo, 99Mo(cum), 90Nb(m+) and 88Zr were measured up to 40 MeV alpha-particle energy by using the stacked foil technique and activation method. Data of our earlier similar experiments were re-evaluated and resulted in corrections on the reported results. Our experimental data were compared with critically analyzed literature data and with the results of model calculations, obtained by using the ALICE-IPPE, EMPIRE 3.1 (Rivoli) and TALYS codes (TENDL-2011 and TENDL-2015 on-line libraries). Nuclear data for different production routes of 97Ru and 103Ru are compiled and reviewed.

Cross sections of the {sup 67}Zn(n,{alpha}){sup 64}Ni reaction at 4.0, 5.0, and 6.0 MeV

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

Zhang Guohui; Liu Jiaming; Wu Hao

2010-11-15

Experimental cross section data of the {sup 67}Zn(n,{alpha}){sup 64}Ni reaction are very scanty because the residual nucleus {sup 64}Ni is stable and the commonly used activation method is not feasible. As a result, very large deviations (about 10 times) exist among different nuclear data libraries. In the present work, cross sections of the partial {sup 67}Zn(n,{alpha}{sub 0}){sup 64}Ni and total {sup 67}Zn(n,{alpha}){sup 64}Ni reactions are measured at neutron energies of 4.0 and 5.0 MeV for the first time, and those of 6.0 MeV are remeasured for consistency checking. A twin-gridded ionization chamber was used as the charged-particle detector and twomore » enriched back-to-back-set {sup 67}Zn samples were adopted. Experiments were performed at the 4.5 MV Van de Graaff Accelerator of Peking University. Neutrons were produced through the {sup 2}H(d,n){sup 3}He reaction using a deuterium gas target. Absolute neutron flux was determined by counting the fission fragments from a {sup 238}U sample placed inside the gridded ionization chamber while a BF{sub 3} long counter was employed as neutron flux monitor. Present data are compared with results of previous measurements, evaluations, and talys code calculations.« less

Quasicontinuum γ decay of Zr 91 , 92 : Benchmarking indirect ( n , γ ) cross section measurements for the s process

DOE PAGES

Guttormsen, M.; Goriely, S.; Larsen, A. C.; ...

2017-08-21

Here, nuclear level densities (NLDs) and γ-ray strength functions (γSFs) have been extracted from particle-γ coincidences of the 92Zr(p,p´γ) 92Zr and 92Zr (p,dγ) 91Zr reactions using the Oslo method. The new 91,92Zr γSF data, combined with photonuclear cross sections, cover the whole energy range from Eγ ≈ 1.5 MeV up to the giant dipole resonance at Eγ ≈ 17 MeV. The wide-range γSF data display structures at Eγ ≈ 9.5 MeV, compatible with a superposition of the spin-flip M1 resonance and a pygmy E1 resonance. Furthermore, the γSF shows a minimum at Eγ ≈ 2–3 MeV and an increase atmore » lower γ-ray energies. The experimentally constrained NLDs and γSFs are shown to reproduce known (n,γ) and Maxwellian-averaged cross sections for 91,92Zr using the TALYS reaction code, thus serving as a benchmark for this indirect method of estimating (n,γ) cross sections for Zr isotopes.« less

School Leadership for Learning: Insights from TALIS 2013

ERIC Educational Resources Information Center

OECD Publishing, 2016

2016-01-01

The OECD Teaching and Learning International Survey (TALIS) is the largest international survey of teachers and school leaders. Using the TALIS database, this report looks at different approaches to school leadership and the impact of school leadership on professional learning communities and on the learning climate in individual schools. It looks…

TALIS 2013 Technical Report: Teaching and Learning International Survey

ERIC Educational Resources Information Center

OECD Publishing, 2013

2013-01-01

Effective teaching and teachers are key to producing high-performing students worldwide. So how can countries prepare teachers to face the diverse challenges in today's schools? The Teaching and Learning International Survey (TALIS) helps answer this question. TALIS asks teachers and schools about their working conditions and the learning…

Elastic and inelastic scattering of neutrons from 56Fe

NASA Astrophysics Data System (ADS)

Ramirez, Anthony Paul; McEllistrem, M. T.; Liu, S. H.; Mukhopadhyay, S.; Peters, E. E.; Yates, S. W.; Vanhoy, J. R.; Harrison, T. D.; Rice, B. G.; Thompson, B. K.; Hicks, S. F.; Howard, T. J.; Jackson, D. T.; Lenzen, P. D.; Nguyen, T. D.; Pecha, R. L.

2015-10-01

The differential cross sections for elastic and inelastic scattered neutrons from 56Fe have been measured at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator) for incident neutron energies between 2.0 and 8.0 MeV and for the angular range 30° to 150°. Time-of-flight techniques and pulse-shape discrimination were employed for enhancing the neutron energy spectra and for reducing background. An overview of the experimental procedures and data analysis for the conversion of neutron yields to differential cross sections will be presented. These include the determination of the energy-dependent detection efficiencies, the normalization of the measured differential cross sections, and the attenuation and multiple scattering corrections. Our results will also be compared to evaluated cross section databases and reaction model calculations using the TALYS code. This work is supported by grants from the U.S. Department of Energy-Nuclear Energy Universities Program: NU-12-KY-UK-0201-05, and the Donald A. Cowan Physics Institute at the University of Dallas.

Dipole strength in 80Se below the neutron-separation energy for the nuclear transmutation of 79Se

NASA Astrophysics Data System (ADS)

Makinaga, Ayano; Massarczyk, Ralph; Beard, Mary; Schwengner, Ronald; Otsu, Hideaki; Müller, Stefan; Röder, Marko; Schmidt, Konrad; Wagner, Andreas

2017-09-01

The γ-ray strength function (γSF) in 80Se is an important parameter to estimate the neutron-capture cross section of 79Se which is one of the long-lived fission products (LLFPs). Until now, the γSF method was applied for 80Se only above the neutron-separation energy (Sn) and the evaluated 79Se(n,γ) cross section has an instability caused by the GSF below Sn. We studied the dipole-strength distribution of 80Se in a photon-scattering experiment using bremsstrahlung produced by an electron beam of an energy of 11.5 MeV at the linear accelerator ELBE at HZDR. The present photoabsorption cross section of 80Se was combined with results of (γ,n) experiments and are compared with predictions usinmg the TALYS code. We also estimated the 79Se(n,γ) cross sections and compare them with TALYS predictionms and earlier work by other groups.

Isomeric yield ratios of 87m,gY from different nuclear reactions

NASA Astrophysics Data System (ADS)

Naik, H.; Kim, G. N.; Kim, K.; Zaman, M.; Sahid, M.; Yang, S.-C.; Lee, M. W.; Kang, Y. R.; Shin, S. G.; Cho, M.-H.; Goswami, A.; Song, T. Y.

2014-07-01

The independent isomeric yield ratios of 87m,gY produced from the 93Nb( γ, α2n) and natZr( γ, p xn) reactions with the end-point bremsstrahlung energy of 45-70 MeV have been determined by an off-line γ-ray spectrometric technique using 100 MeV electron linac at the Pohang accelerator laboratory, Korea. The isomeric yield ratios of 87m,gY were also determined from the natZr(p, αxn) and the 89Y(p,p2n) reactions with E P = 15-45 MeV as well as those from the 89Y( α, α2n) reaction with E α = 32-43 MeV using the MC-50 cyclotron at the Korea Institute of Radiological and Medical Science, Korea. The isomeric yield ratios of 87m,gY from the present work in the 93Nb( γ, α2n), natZr( γ, p xn), natZr(p, αxn), 89Y(p,p2n), and 89Y( α, α2n) reactions were compared with those of the literature data in the 85Rb( α, 2n), the 86,87,88Sr(d, xn), 89Y(n,3n), and the 89Y( γ, 2n) reactions to examine the role of target, projectiles, and ejectiles through compound nucleus excitation energy and input angular momentum. The isomeric yield ratios of 87m,gY in the above eleven reactions were also calculated using the computer code TALYS 1.4 and compared with the experimental data. The different behaviors between photon- and neutron-induced reactions and charged-particle-induced reactions are discussed from the viewpoint of compound and non-compound (pre-equilibrium) process.

Teaching and Learning International Survey (TALIS) 2013: U.S. Technical Report. NCES 2015-010

ERIC Educational Resources Information Center

Strizek, Gregory A.; Tourkin, Steve; Erberber, Ebru

2014-01-01

This technical report is designed to provide researchers with an overview of the design and implementation of the Teaching and Learning International Survey (TALIS) 2013. This information is meant to supplement that presented in OECD publications by describing those aspects of TALIS 2013 that are unique to the United States. Chapter 2 provides…

Measurement of activation cross sections of alpha particle induced reactions on iridium up to an energy of 50 MeV.

PubMed

Takács, S; Ditrói, F; Szűcs, Z; Aikawa, M; Haba, H; Komori, Y; Saito, M

2018-06-01

Cross sections of alpha particle induced nuclear reactions on iridium were investigated using a 51.2-MeV alpha particle beam. The standard stacked-foil target technique and the activation method were applied. The activity of the reaction products was assessed without chemical separation using high resolution gamma-ray spectrometry. Excitation functions for production of gold, platinum and iridium isotopes ( 196m2 Au, 196m,g Au, 195m,g Au, 194 Au, 193 m,g Au, 192 Au, 191m,g Au, 191 Pt, 195m Pt, 194g Ir, 194m Ir, 192g Ir, 190g Ir and 189 Ir) were determined and compared with available earlier measured experimental data and results of theoretical calculations using TALYS code system. Cross section data were reported for the first time for the nat Ir(α,x) 196m2 Au, nat Ir(α,x) 196m,g Au, nat Ir(α,x) 191 Pt, nat Ir(α,x) 195m Pt, nat Ir(α,x) 194g Ir, nat Ir(α,x) 194m Ir, nat Ir(α,x) 190g Ir and nat Ir(α,x) 189 Ir processes. A possible production route for 195m Pt, the potentially important radionuclide in nuclear medicine, is discussed. Copyright © 2018 Elsevier Ltd. All rights reserved.

Investigation of proton induced reactions on niobium at low and medium energies

NASA Astrophysics Data System (ADS)

Ditrói, F.; Hermanne, A.; Corniani, E.; Takács, S.; Tárkányi, F.; Csikai, J.; Shubin, Yu. N.

2009-10-01

Niobium is a metal with important technological applications: use as alloying element to increase strength of super alloys, as thin layer for tribological applications, as superconductive material, in high temperature engineering systems, etc. In the frame of a systematic study of activation cross-sections of charged particle induced reactions on structural materials proton induced excitation functions on Nb targets were determined with the aim of applications in accelerator and reactor technology and for thin layer activation (TLA). The charged particle activation cross-sections on this element are also important for yield calculation of medical isotope production ( 88,89Zr, 86,87,88Y) and for dose estimation in PET targetry. As niobium is a monoisotopic element it is an ideal target material to test nuclear reaction theories. We present here the experimental excitation functions of 93Nb(p,x) 90,93mMo, 92m,91m,90Nb, 88,89Zr and 88Y in the energy range 0-37 MeV. The results were compared with the theoretical cross-sections calculated by means of the code ALICE-IPPE, EMPIRE-3, TALYS and with the literature data. The theory reproduces the shape of the measured results well and magnitude is also acceptable. Thick target yields calculated from our fitted cross-section give reliable estimations for production of medically relevant radioisotopes and for dose estimation in accelerator technology.

STANDARD BIG BANG NUCLEOSYNTHESIS UP TO CNO WITH AN IMPROVED EXTENDED NUCLEAR NETWORK

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

Coc, Alain; Goriely, Stephane; Xu, Yi

Primordial or big bang nucleosynthesis (BBN) is one of the three strong pieces of evidence for the big bang model together with the expansion of the universe and cosmic microwave background radiation. In this study, we improve the standard BBN calculations taking into account new nuclear physics analyses and enlarge the nuclear network up to sodium. This is, in particular, important to evaluate the primitive value of CNO mass fraction that could affect Population III stellar evolution. For the first time we list the complete network of more than 400 reactions with references to the origin of the rates, includingmore » Almost-Equal-To 270 reaction rates calculated using the TALYS code. Together with the cosmological light elements, we calculate the primordial beryllium, boron, carbon, nitrogen, and oxygen nuclei. We performed a sensitivity study to identify the important reactions for CNO, {sup 9}Be, and boron nucleosynthesis. We re-evaluated those important reaction rates using experimental data and/or theoretical evaluations. The results are compared with precedent calculations: a primordial beryllium abundance increase by a factor of four compared to its previous evaluation, but we note a stability for B/H and for the CNO/H abundance ratio that remains close to its previous value of 0.7 Multiplication-Sign 10{sup -15}. On the other hand, the extension of the nuclear network has not changed the {sup 7}Li value, so its abundance is still 3-4 times greater than its observed spectroscopic value.« less

High resolution measurements of the {sup 241}Am(n,2n) reaction cross section

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

Sage, C.; European Commission, Joint Research Centre, Institute for Reference Materials and Measurements, Retieseweg 111, B-2440 Geel; Commissariat a L'Energie Atomique Cadarache, DEN/CAD/DER/SPRC/LEPh, F-13108 St Paul-lez-Durance

Measurements of the {sup 241}Am(n,2n) reaction cross section have been performed at the Joint Research Centre (JRC) Geel in the frame of a collaboration between the European Commission (EC) JRC and French laboratories from CNRS and the Commissariat a L'Energie Atomique (CEA) Cadarache. Raw material coming from the Atalante facility of CEA Marcoule has been transformed by JRC Karlsruhe into suitable {sup 241}AmO{sub 2} samples embedded in Al{sub 2}O{sub 3} matrices specifically designed for these measurements. The irradiations were carried out at the 7-MV Van de Graaff accelerator. The {sup 241}Am(n,2n) reaction cross section was determined relative to the {supmore » 27}Al(n,alpha){sup 24}Na standard cross section. The measurements were performed in four sessions, using quasi-mono-energetic neutrons with energies ranging from 8 to 21 MeV produced via the {sup 2}H(d,n){sup 3}He and the {sup 3}H(d,n){sup 4}He reactions. The induced activity was measured by standard gamma-ray spectrometry using a high-purity germanium detector. Below 15 MeV, the present results are in agreement with data obtained earlier. Above 15 MeV, these measurements allowed the experimental investigation of the {sup 241}Am(n,2n) reaction cross section for the first time. The present data are in good agreement with predictions obtained with the talys code that uses an optical and fission model developed at CEA.« less

Cross section measurement of alpha particle induced nuclear reactions on natural cadmium up to 52MeV.

PubMed

Ditrói, F; Takács, S; Haba, H; Komori, Y; Aikawa, M

2016-12-01

Cross sections of alpha particle induced nuclear reactions have been measured on thin natural cadmium targets foils in the energy range from 11 to 51.2MeV. This work was a part of our systematic study on excitation functions of light ion induced nuclear reactions on different target materials. Regarding the cross sections, the alpha induced reactions are not deeply enough investigated. Some of the produced isotopes are of medical interest, others have application in research and industry. The radioisotope 117m Sn is a very important theranostic (therapeutic + diagnostic) radioisotope, so special care was taken to the results for that isotope. The well-established stacked foil technique followed by gamma-spectrometry with HPGe gamma spectrometers were used. The target and monitor foils in the stack were commercial high purity metal foils. From the irradiated targets 117m Sn, 113 Sn, 110 Sn, 117m,g In, 116m In, 115m In, 114m In, 113m In, 111 In, 110m,g In, 109m In, 108m,g In, 115g Cd and 111m Cd were identified and their excitation functions were derived. The results were compared with the data of the previous measurements from the literature and with the results of the theoretical nuclear reaction model code calculations TALYS 1.8 (TENDL-2015) and EMPIRE 3.2 (Malta). From the cross section curves thick target yields were calculated and compared with the available literature data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Measurement of the 2H(7Be, 6Li)3He reaction rate and its contribution to the primordial lithium abundance

NASA Astrophysics Data System (ADS)

Li, Er-Tao; Li, Zhi-Hong; Yan, Sheng-Quan; Su, Jun; Guo, Bing; Li, Yun-Ju; Wang, You-Bao; Lian, Gang; Zeng, Sheng; Chen, Si-Zhe; Ma, Shao-Bo; Li, Xiang-Qing; He, Cao; Sun, Hui-Bin; Liu, Wei-Ping

2018-04-01

In the standard Big Bang nucleosynthesis (SBBN) model, the lithium puzzle has attracted intense interest over the past few decades, but still has not been solved. Conventionally, the approach is to include more reactions flowing into or out of lithium, and study the potential effects of those reactions which were not previously considered. 7Be(d, 3He)6Li is a reaction that not only produces 6Li but also destroys 7Be, which decays to 7Li, thereby affecting 7Li indirectly. Therefore, this reaction could alleviate the lithium discrepancy if its reaction rate is sufficiently high. However, there is not much information available about the 7Be(d, 3He)6Li reaction rate. In this work, the angular distributions of the 7Be(d, 3He)6Li reaction are measured at the center of mass energies E cm = 4.0 MeV and 6.7 MeV with secondary 7Be beams for the first time. The excitation function of the 7Be(d, 3He)6Li reaction is first calculated with the computer code TALYS and then normalized to the experimental data, then its reaction rate is deduced. A SBBN network calculation is performed to investigate its influence on the 6Li and 7Li abundances. The results show that the 7Be(d, 3He)6Li reaction has a minimal effect on 6Li and 7Li because of its small reaction rate. Therefore, the 7Be(d, 3He)6Li reaction is ruled out by this experiment as a means of alleviating the lithium discrepancy. Supported by National Natural Science Foundation of China (11375269, 11505117, 11490560, 11475264, 11321064), Natural Science Foundation of Guangdong Province (2015A030310012), 973 program of China (2013CB834406) and National key Research and Development Province (2016YFA0400502)

Investigation deuteron-induced reactions on cobalt

NASA Astrophysics Data System (ADS)

Ditrói, F.; Tárkányi, F.; Takács, S.; Hermanne, A.; Baba, M.; Ignatyuk, A. V.

2010-09-01

The excitation functions of deuteron-induced reactions were measured on metallic cobalt. Beyond the 56,57,58,60Co cobalt isotopes, we also identified 57Ni, 54Mn, 56Mn and 59Fe in the deuteron experiments. For the above radionuclides, the excitation functions in the measured energy range were determined and compared with the data found in the literature and with the results of model calculations (ALICE-IPPE, EMPIRE-D, EAF, and TALYS (TENDL)). The excitation functions agree with previous measurements; furthermore, we calculated the yield and thin layer activation (TLA) curves that are necessary for practical and industrial applications.

Experimental measurements with Monte Carlo corrections and theoretical calculations of neutron inelastic scattering cross section of 115In

NASA Astrophysics Data System (ADS)

Wang, Chao; Xiao, Jun; Luo, Xiaobing

2016-10-01

The neutron inelastic scattering cross section of 115In has been measured by the activation technique at neutron energies of 2.95, 3.94, and 5.24 MeV with the neutron capture cross sections of 197Au as an internal standard. The effects of multiple scattering and flux attenuation were corrected using the Monte Carlo code GEANT4. Based on the experimental values, the 115In neutron inelastic scattering cross sections data were theoretically calculated between the 1 and 15 MeV with the TALYS software code, the theoretical results of this study are in reasonable agreement with the available experimental results.

Cross sections of proton-induced nuclear reactions on bismuth and lead up to 100 MeV

NASA Astrophysics Data System (ADS)

Mokhtari Oranj, L.; Jung, N. S.; Bakhtiari, M.; Lee, A.; Lee, H. S.

2017-04-01

Production cross sections of 209Bi(p , x n )207,206,205,204,203Po, 209Bi(p , pxn) 207,206,205,204,203,202Bi, and natPb(p , x n ) 206,205,204,203,202,201Bi reactions were measured to fill the gap in the excitation functions up to 100 MeV as well as to figure out the effects of different nuclear properties on proton-induced reactions including heavy nuclei. The targets were arranged in two different stacks consisting of Bi, Pb, Al, Au foils and Pb plates. The proton beam intensity was determined by the activation analysis method using 27Al(p ,3 p n )24Na, 197Au(p ,p n )196Au, and 197Au(p , p 3 n )194Au monitor reactions in parallel as well as the Gafchromic film dosimetry method. The activities of produced radionuclei in the foils were measured by the HPGe spectroscopy system. Over 40 new cross sections were measured in the investigated energy range. A satisfactory agreement was observed between the present experimental data and the previously published data. Excitation functions of mentioned reactions were calculated by using the theoretical model based on the latest version of the TALYS code and compared to the new data as well as with other data in the literature. Additionally, the effects of various combinations of the nuclear input parameters of different level density models, optical model potentials, and γ-ray strength functions were considered. It was concluded that if certain level density models are used, the calculated cross sections could be comparable to the measured data. Furthermore, the effects of optical model potential and γ-ray strength functions were considerably lower than that of nuclear level densities.

TANGO1 and Mia2/cTAGE5 (TALI) cooperate to export bulky pre-chylomicrons/VLDLs from the endoplasmic reticulum.

PubMed

Santos, António J M; Nogueira, Cristina; Ortega-Bellido, Maria; Malhotra, Vivek

2016-05-09

Procollagens, pre-chylomicrons, and pre-very low-density lipoproteins (pre-VLDLs) are too big to fit into conventional COPII-coated vesicles, so how are these bulky cargoes exported from the endoplasmic reticulum (ER)? We have shown that TANGO1 located at the ER exit site is necessary for procollagen export. We report a role for TANGO1 and TANGO1-like (TALI), a chimeric protein resulting from fusion of MIA2 and cTAGE5 gene products, in the export of pre-chylomicrons and pre-VLDLs from the ER. TANGO1 binds TALI, and both interact with apolipoprotein B (ApoB) and are necessary for the recruitment of ApoB-containing lipid particles to ER exit sites for their subsequent export. Although export of ApoB requires the function of both TANGO1 and TALI, the export of procollagen XII by the same cells requires only TANGO1. These findings reveal a general role for TANGO1 in the export of bulky cargoes from the ER and identify a specific requirement for TALI in assisting TANGO1 to export bulky lipid particles. © 2016 Santos et al.

Measurements of neutron capture cross sections on 70Zn at 0.96 and 1.69 MeV

NASA Astrophysics Data System (ADS)

Punte, L. R. M.; Lalremruata, B.; Otuka, N.; Suryanarayana, S. V.; Iwamoto, Y.; Pachuau, Rebecca; Satheesh, B.; Thanga, H. H.; Danu, L. S.; Desai, V. V.; Hlondo, L. R.; Kailas, S.; Ganesan, S.; Nayak, B. K.; Saxena, A.

2017-02-01

The cross sections of the 70Zn(n ,γ )Zn71m (T1 /2=3.96 ±0.05 -h ) reaction have been measured relative to the 197Au(n ,γ )198Au cross sections at 0.96 and 1.69 MeV using a 7Li(p ,n )7Be neutron source and activation technique. The cross section of this reaction has been measured for the first time in the MeV region. The new experimental cross sections have been compared with the theoretical prediction by talys-1.6 with various level-density models and γ -ray strength functions as well as the tendl-2015 library. The talys-1.6 calculation with the generalized superfluid level-density model and Kopecky-Uhl generalized Lorentzian γ -ray strength function predicted the new experimental cross sections at both incident energies. The 70Zn(n ,γ ) g+m 71Zn total capture cross sections have also been derived by applying the evaluated isomeric ratios in the tendl-2015 library to the measured partial capture cross sections. The spectrum averaged total capture cross sections derived in the present paper agree well with the jendl-4.0 library at 0.96 MeV, whereas it lies between the tendl-2015 and the jendl-4.0 libraries at 1.69 MeV.

Measurements of 67Ga production cross section induced by protons on natZn in the low energy range from 1.678 to 2.444 MeV

NASA Astrophysics Data System (ADS)

Wachter, J. A.; Miranda, P. A.; Morales, J. R.; Cancino, S. A.; Correa, R.

2015-02-01

The experimental production cross section for the reaction natZn(p,x)67Ga has been measured in the energy range from 1.678 to 2.444 MeV. The methodology used in this work is based on characteristic X-ray emitted after irradiation by the daughter nuclei that decays by electron capture (EC) and the use of a complementary PIXE experiment. By doing so, expressions needed to determine cross section values are simplified since experimental factors such as geometric setup and an detector efficiency are avoided. 67Ga is a radionuclide particularly suited for this method since it decays by electron capture in 100% and the subsequent characteristic X-ray emission is easily detected. Natural zinc targets were fabricated by PVD technique and afterwards their thicknesses were determined by Rutherford Backscattering Spectrometry. Cross sections measurements were carried out by using the Van de Graaff accelerator located at Faculty of Sciences, University of Chile. It was found that our data for the natZn(p,x)67Ga reaction are, in general, in good agreement when compared to existing experimental data and to those calculated ALICE/ASH nuclear code. On the other hand, values predicted by Talys-1.6 are showing systematically lower magnitudes than our measured data.

Isomeric ratio measurements for the radiative neutron capture 176Lu(n,γ) at DANCE

NASA Astrophysics Data System (ADS)

Denis-Petit, D.; Roig, O.; Méot, V.; Morillon, B.; Romain, P.; Jandel, M.; Kawano, T.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

2017-09-01

The isomeric ratios for the neutron capture reaction 176Lu(n,γ) to the Jπ = 5/2-, 761.7 keV, T1/2 = 32.8 ns and the Jπ = 15/2+, 1356.9 keV, T1/2 = 11.1 ns levels of 177Lu, have been measured for the first time with the Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos National Laboratory. These measured isomeric ratios are compared with TALYS calculations.

Supporting Teacher Professionalism: Insights from TALIS 2013

ERIC Educational Resources Information Center

OECD Publishing, 2016

2016-01-01

This report examines the nature and extent of support for teacher professionalism using the Teaching and Learning International Survey (TALIS) 2013, a survey of teachers and principals in 34 countries and economies around the world. Teacher professionalism is defined as the knowledge, skills, and practices that teachers must have in order to be…

Nuclear model calculation and targetry recipe for production of 110mIn.

PubMed

Kakavand, T; Mirzaii, M; Eslami, M; Karimi, A

2015-10-01

(110m)In is potentially an important positron emitting that can be used in positron emission tomography. In this work, the excitation functions and production yields of (110)Cd(d, 2n), (111)Cd(d, 3n), (nat)Cd(d, xn), (110)Cd(p, n), (111)Cd(p, 2n), (112)Cd(p, 3n) and (nat)Cd(p, xn) reactions to produce the (110m)In were calculated using nuclear model code TALYS and compared with the experimental data. The yield of isomeric state production of (110)In was also compared with ground state production ones to reach the optimal energy range of projectile for the high yield production of metastable state. The results indicate that the (110)Cd(p, n)(110m)In is a high yield reaction with an isomeric ratio (σ(m)/σ(g)) of about 35 within the optimal incident energy range of 15-5 MeV. To make the target, cadmium was electroplated on a copper substrate in varying electroplating conditions such as PH, DC current density, temperature and time. A set of cold tests were also performed on the final sample under several thermal shocks to verify target resistance. The best electroplated cadmium target was irradiated with 15 MeV protons at current of 100 µA for one hour and the production yield of (110m)In and other byproducts were measured. Copyright © 2015 Elsevier Ltd. All rights reserved.

Evaluation of proton cross-sections for radiation sources in the proton accelerator

NASA Astrophysics Data System (ADS)

Cho, Young-Sik; Lee, Cheol-Woo; Lee, Young-Ouk

2007-08-01

Proton Engineering Frontier Project (PEFP) is currently building a proton accelerator in Korea which consists of a proton linear accelerator with 100 MeV of energy, 20 mA of current and various particle beam facilities. The final goal of this project consists of the production of 1 GeV proton beams, which will be used for various medical and industrial applications as well as for research in basic and applied sciences. Carbon and copper in the proton accelerator for PEPP, through activation, become radionuclides such as 7Be and 64Cu. Copper is a major element of the accelerator components and the carbon is planned to be used as a target material of the beam dump. A recent survey showed that the currently available cross-sections create a large difference from the experimental data in the production of some residual nuclides by the proton-induced reactions for carbon and copper. To more accurately estimate the production of radioactive nuclides in the accelerator, proton cross-sections for carbon and copper are evaluated. The TALYS code was used for the evaluation of the cross-sections for the proton-induced reactions. To obtain the cross-sections which best fits the experimental data, optical model parameters for the neutron, proton and other complex particles such as the deuteron and alpha were successively adjusted. The evaluated cross-sections in this study are compared with the measurements and other evaluations .

What Did We Learn about Our Teachers and Principals? Results of the TALIS-2013 International Comparative Study

ERIC Educational Resources Information Center

Pinskaya, M. A.; Lenskaya, E. A.; Ponomareva, A. A.; Brun, I. V.; Kosaretsky, S. G.; Savelyeva, M. B.

2016-01-01

The Teaching and Learning International Survey (TALIS) is a large-scale and authoritative international study of teachers. It is conducted by the Organization for Economic Cooperation and Development (OECD) to collect and compare information about teachers and principals in different countries in such key areas as the training and professional…

Reliability and Structure of the TALIS Social Desirability Scale: An Assessment Based on Item Response Theory

ERIC Educational Resources Information Center

Kapuza, A. V.; Tyumeneva, Yu. A.

2017-01-01

One of the ways of controlling for the influence of social expectations on the answers given by survey respondents is to use a social desirability scale together with the main questions. The social desirability scale, which was included in the Teaching and Learning International Survey (TALIS) international comparative study for this purpose, was…

A World of Ideas: International Survey Gives a Voice to Teachers Everywhere

ERIC Educational Resources Information Center

Crow, Tracy

2013-01-01

Kristen Weatherby is a senior policy analyst at OECD in the education directorate. She runs the Teaching and Learning International Survey (TALIS) and is author or co-author of publications and blog posts on TALIS and teachers. She started her career as a classroom teacher in the United States before working in education in the private sector in…

Between Ritual and Spiritual: Teachers' Perceptions and Practices Regarding Prayer Education in TALI Day Schools in Israel

ERIC Educational Resources Information Center

Muszkat-Barkan, Michal

2015-01-01

The aim of this qualitative study is to describe teachers' perceptions and roles in prayer education in TALI day schools in Israel, using in-depth oral Interviews, written questionnaires and written materials of the schools' network. Two educational ideologies were identified: Belonging to the Jewish collective and Personal-spiritual ideology.…

Morphology of sustentaculum tali: Biomechanical importance and correlation with angular dimensions of the talus.

PubMed

Mahato, Niladri Kumar

2011-12-01

The talus and the calcaneus share the bulk of load transmitted from the leg to the skeleton of the foot. The present study analyses the inter-relationship between the superior articular surface and the angular dimensions of the talus with the morphology of the sustentaculum tali. Identification of possible relationships between different angular parameters of the talus morphology and the sustentaculum tali in context of load transmission through the foot. One articular surface and three angular parameters at the junction of the head and the body were measured from dried human talar bones. Corresponding calcaneal samples were measured for four dimensions at the sustentaculum tali. Correlation and regression statistical values between parameters were worked out and analysed. Several parameters within the talus demonstrated significant correlations amongst themselves. The neck vertical angle showed a strong correlation with the articulating surface area below the head of the talus. The inter-relationship between articular and angular parameters within the talus demonstrates strong correlation for certain parameters. Data presented in the study may be helpful to adjust calcaneal and talar screw placement techniques, prosthesis designing and bio-mechanical studies at this important region. Copyright © 2011 Elsevier Ltd. All rights reserved.

Human talus bones from the Middle Pleistocene site of Sima de los Huesos (Sierra de Atapuerca, Burgos, Spain).

PubMed

Pablos, Adrián; Martínez, Ignacio; Lorenzo, Carlos; Gracia, Ana; Sala, Nohemi; Arsuaga, Juan Luis

2013-07-01

Here we present and describe comparatively 25 talus bones from the Middle Pleistocene site of the Sima de los Huesos (SH) (Sierra de Atapuerca, Burgos, Spain). These tali belong to 14 individuals (11 adult and three immature). Although variation among Middle and Late Pleistocene tali tends to be subtle, this study has identified unique morphological characteristics of the SH tali. They are vertically shorter than those of Late Pleistocene Homo sapiens, and show a shorter head and a broader lateral malleolar facet than all of the samples. Moreover, a few shared characters with Neanderthals are consistent with the hypothesis that the SH population and Neanderthals are sister groups. These shared characters are a broad lateral malleolar facet, a trochlear height intermediate between modern humans and Late Pleistocene H. sapiens, and a short middle calcaneal facet. It has been possible to propose sex assignment for the SH tali based on their size. Stature estimates based on these fossils give a mean stature of 174.4 cm for males and 161.9 cm for females, similar to that obtained based on the long bones from this same site. Copyright © 2013 Elsevier Ltd. All rights reserved.

Effective dose to immuno-PET patients due to metastable impurities in cyclotron produced zirconium-89

NASA Astrophysics Data System (ADS)

Alfuraih, Abdulrahman; Alzimami, Khalid; Ma, Andy K.; Alghamdi, Ali; Al Jammaz, Ibrahim

2014-11-01

Immuno-PET is a nuclear medicine technique that combines positron emission tommography (PET) with radio-labeled monoclonal antibodies (mAbs) for tumor characterization and therapy. Zirconium-89 (89Zr) is an emerging radionuclide for immuno-PET imaging. Its long half-life (78.4 h) gives ample time for the production, the administering and the patient uptake of the tagged radiopharmaceutical. Furthermore, the nuclides will remain in the tumor cells after the mAbs are catabolized so that time series studies are possible without incurring further administration of radiopharmarceuticals. 89Zr can be produced in medical cyclotrons by bombarding an yttrium-89 (89Y) target with a proton beam through the 89Y(p,n)89Zr reaction. In this study, we estimated the effective dose to the head and neck cancer patients undergoing 89Zr-based immune-PET procedures. The production of 89Zr and the impurities from proton irradiation of the 89Y target in a cyclotron was calculated with the Monte Carlo code MCNPX and the nuclear reaction code TALYS. The cumulated activities of the Zr isotopes were derived from real patient data in literature and the effective doses were estimated using the MIRD specific absorbed fraction formalism. The estimated effective dose from 89Zr is 0.5±0.2 mSv/MBq. The highest organ dose is 1.8±0.2 mSv/MBq in the liver. These values are in agreement with those reported in literature. The effective dose from 89mZr is about 0.2-0.3% of the 89Zr dose in the worst case. Since the ratio of 89mZr to 89Zr depends on the cooling time as well as the irradiation details, contaminant dose estimation is an important aspect in optimizing the cyclotron irradiation geometry, energy and time.

A Comparative Study on the Teaching Profession in Turkey and South Korea: Secondary Analysis of TALIS 2008 Data in Relation to Teacher Self-Efficacy

ERIC Educational Resources Information Center

Aslan, Berna

2015-01-01

Problem Statement: Teacher self-efficacy is important factor for school and student success. This study investigates the variables that explain teacher self-efficacy in Turkey and South Korea according to TALIS 2008 data. A detailed comparison was conducted and the state of the teaching profession in both countries is discussed. Purpose of the…

RIPL - Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

NASA Astrophysics Data System (ADS)

Capote, R.; Herman, M.; Obložinský, P.; Young, P. G.; Goriely, S.; Belgya, T.; Ignatyuk, A. V.; Koning, A. J.; Hilaire, S.; Plujko, V. A.; Avrigeanu, M.; Bersillon, O.; Chadwick, M. B.; Fukahori, T.; Ge, Zhigang; Han, Yinlu; Kailas, S.; Kopecky, J.; Maslov, V. M.; Reffo, G.; Sin, M.; Soukhovitskii, E. Sh.; Talou, P.

2009-12-01

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released in January 2009, and is available on the Web through http://www-nds.iaea.org/RIPL-3/. This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and γ-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from 51V to 239Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.

RIPL - Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

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

Capote, R.; Herman, M.; Oblozinsky, P.

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released inmore » January 2009, and is available on the Web through (http://www-nds.iaea.org/RIPL-3/). This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and {gamma}-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from {sup 51}V to {sup 239}Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.« less

RIPL-Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

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

Capote, R.; Herman, M.; Capote,R.

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released inmore » January 2009, and is available on the Web through http://www-nds.iaea.org/RIPL-3/. This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and {gamma}-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from {sup 51}V to {sup 239}Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.« less

The production of radionuclides for nuclear medicine from a compact, low-energy accelerator system.

PubMed

Webster, William D; Parks, Geoffrey T; Titov, Dmitry; Beasley, Paul

2014-05-01

The field of nuclear medicine is reliant on radionuclides for medical imaging procedures and radioimmunotherapy (RIT). The recent shut-downs of key radionuclide producers have highlighted the fragility of the current radionuclide supply network, however. To ensure that nuclear medicine can continue to grow, adding new diagnostic and therapy options to healthcare, novel and reliable production methods are required. Siemens are developing a low-energy, high-current - up to 10 MeV and 1 mA respectively - accelerator. The capability of this low-cost, compact system for radionuclide production, for use in nuclear medicine procedures, has been considered. The production of three medically important radionuclides - (89)Zr, (64)Cu, and (103)Pd - has been considered, via the (89)Y(p,n), (64)Ni(p,n) and (103)Rh(p,n) reactions, respectively. Theoretical cross-sections were generated using TALYS and compared to experimental data available from EXFOR. Stopping power values generated by SRIM have been used, with the TALYS-generated excitation functions, to calculate potential yields and isotopic purity in different irradiation regimes. The TALYS excitation functions were found to have a good agreement with the experimental data available from the EXFOR database. It was found that both (89)Zr and (64)Cu could be produced with high isotopic purity (over 99%), with activity yields suitable for medical diagnostics and therapy, at a proton energy of 10MeV. At 10MeV, the irradiation of (103)Rh produced appreciable quantities of (102)Pd, reducing the isotopic purity. A reduction in beam energy to 9.5MeV increased the radioisotopic purity to 99% with only a small reduction in activity yield. This work demonstrates that the low-energy, compact accelerator system under development by Siemens would be capable of providing sufficient quantities of (89)Zr, (64)Cu, and (103)Pd for use in medical diagnostics and therapy. It is suggested that the system could be used to produce many other isotopes currently useful to nuclear medicine. Copyright © 2014 Elsevier Inc. All rights reserved.

On microscopic theory of radiative nuclear reaction characteristics

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

Kamerdzhiev, S. P.; Achakovskiy, O. I., E-mail: oachakovskiy@ippe.ru; Avdeenkov, A. V.

2016-07-15

A survey of some results in the modern microscopic theory of properties of nuclear reactions with gamma rays is given. First of all, we discuss the impact of Phonon Coupling (PC) on the Photon Strength Function (PSF) because it represents the most natural physical source of additional strength found for Sn isotopes in recent experiments that could not be explained within the standard HFB + QRPA approach. The self-consistent version of the Extended Theory of Finite Fermi Systems in the Quasiparticle Time Blocking Approximation is applied. It uses the HFB mean field and includes both the QRPA and PC effectsmore » on the basis of the SLy4 Skyrme force. With our microscopic E1 PSFs, the following properties have been calculated for many stable and unstable even–even semi-magic Sn and Ni isotopes as well as for double-magic {sup 132}Sn and {sup 208}Pb using the reaction codes EMPIRE and TALYS with several Nuclear Level Density (NLD) models: (1) the neutron capture cross sections; (2) the corresponding neutron capture gamma spectra; (3) the average radiative widths of neutron resonances. In all the properties considered, the PC contribution turned out to be significant, as compared with the standard QRPA one, and necessary to explain the available experimental data. The results with the phenomenological so-called generalized superfluid NLD model turned out to be worse, on the whole, than those obtained with the microscopic HFB + combinatorial NLD model. The very topical question about the M1 resonance contribution to PSFs is also discussed.Finally, we also discuss the modern microscopic NLD models based on the self-consistent HFB method and show their relevance to explain the experimental data as compared with the phenomenological models. The use of these self-consistent microscopic approaches is of particular relevance for nuclear astrophysics, but also for the study of double-magic nuclei.« less

A Report on the Achievements of Subgroup 19 on Activation Cross Sections of the WPEC, OECD-NEA

NASA Astrophysics Data System (ADS)

Plompen, A. J. M.; Smith, D. L.; Semkova, V. M.

2005-05-01

Subgroup 19 on Activation Cross Sections of the Working Party on Evaluation Cooperation of the OECD-NEA has recently concluded its activities. The goal of the subgroup was to generate a large set of new measured activation cross sections relevant to nuclear applications and make these data available to the nuclear science community. In addition, modeling efforts and sensitivity studies were undertaken to evaluate the use of measured data and model calculations for the prediction of unknown cross sections. The latter addresses the potential of model calculations to satisfy issues on the High Priority Request List when no measured data are available. In the course of the activities of the subgroup over ninety reaction channels were studied experimentally. All except the most recent of these data have been compiled into EXFOR format by members of the subgroup and submitted to OECD- NEA. As a result most of these data can now be retrieved online from the data centers. A systematic comparison was made with the new evaluated data files JEF3.0/EAF2003, JENDL3.3, and ENDF/B-VI.8 and with the current status of the global parameter systematics of the model code TALYS-0.57. In addition, a considerable number of locally optimized parameter sets were developed. Both the global and local approaches emphasize the use of consistent physics modelling for all important reaction channels and nuclides involved in the decay. Comparison of the two approaches allows assessment of the effort required when model estimates to a certain accuracy must be made. Parameter sensitivity studies were undertaken to further assess the accuracy requirements on model parameters if target uncertainties for the cross sections have been specified. The value of this approach has demonstrated itself and indicates the need for model codes that fit all available experimental data in order to connect the data covariance with the covariance of the model predictions. The work of the subgroup was a joint effort between IRMM, ANL, FZ-Jülich, INRNE Sofia, NIPNE Bucharest, IEP and Atomki Debrecen, JAERI, and Tohoku University. A comprehensive review of the subgroup activities will be presented.

Light-ion Production from O, Si, Fe and Bi Induced by 175 MeV Quasi-monoenergetic Neutrons

NASA Astrophysics Data System (ADS)

Bevilacqua, R.; Pomp, S.; Jansson, K.; Gustavsson, C.; Österlund, M.; Simutkin, V.; Hayashi, M.; Hirayama, S.; Naitou, Y.; Watanabe, Y.; Hjalmarsson, A.; Prokofiev, A.; Tippawan, U.; Lecolley, F.-R.; Marie, N.; Leray, S.; David, J.-C.; Mashnik, S.

2014-05-01

We have measured double-differential cross sections in the interaction of 175 MeV quasi-monoenergetic neutrons with O, Si, Fe and Bi. We have compared these results with model calculations with INCL4.5-Abla07, MCNP6 and TALYS-1.2. We have also compared our data with PHITS calculations, where the pre-equilibrium stage of the reaction was accounted respectively using the JENDL/HE-2007 evaluated data library, the quantum molecular dynamics model (QMD) and a modified version of QMD (MQMD) to include a surface coalescence model. The most crucial aspect is the formation and emission of composite particles in the pre-equilibrium stage.

Elastic and Inelastic Scattering of Neutrons from Neon and Argon: Impact on Neutrinoless Double-Beta Decay and Dark Matter Experimental Programs

NASA Astrophysics Data System (ADS)

MacMullin, Sean Patrick

In underground physics experiments, such as neutrinoless double-beta decay and dark matter searches, fast neutrons may be the dominant and potentially irreducible source of background. Experimental data for the elastic and inelastic scattering cross sections of neutrons from argon and neon, which are target and shielding materials of interest to the dark matter and neutrinoless double-beta decay communities, were previously unavailable. Unmeasured neutron scattering cross sections are often accounted for incorrectly in Monte-Carlo simulations. Elastic scattering cross sections were measured at the Triangle Universities Nuclear Laboratory (TUNL) using the neutron time-of-flight technique. Angular distributions for neon were measured at 5.0 and 8.0 MeV. One full angular distribution was measured for argon at 6.0 MeV. The cross-section data were compared to calculations using a global optical model. Data were also fit using the spherical optical model. These model fits were used to predict the elastic scattering cross section at unmeasured energies and also provide a benchmark where the global optical models are not well constrained. Partial gamma-ray production cross sections for (n,xngamma ) reactions in natural argon and neon were measured using the broad spectrum neutron beam at the Los Alamos Neutron Science Center (LANSCE). Neutron energies were determined using time of flight and resulting gamma rays from neutron-induced reactions were detected using the GErmanium Array for Neutron Induced Excitations (GEANIE). Partial gamma-ray production cross sections for six transitions in 40Ar, two transitions in 39Ar and the first excited state transitions is 20Ne and 22Ne were measured from threshold to a neutron energy where the gamma-ray yield dropped below the detection sensitivity. Measured (n,xngamma) cross sections were compared with calculations using the TALYS and CoH3 nuclear reaction codes. These new measurements will help to identify potential backgrounds in neutrinoless double-beta decay and dark matter experiments that use argon or neon. The measurements will also aid in the identification of neutron interactions in these experiments through the detection of gamma rays produced by ( n,xngamma) reactions.

Calculation of Excitation Function of Some Structural Fusion Material for (n, p) Reactions up to 25 MeV

NASA Astrophysics Data System (ADS)

Reshid, Tarik S.

2013-04-01

Fusion serves an inexhaustible energy for humankind. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, Furthermore, there are not radioactive nuclear waste problems in the fusion reactors. In this study, (n, p) reactions for some structural fusion materials such as 27Al, 51V, 52Cr, 55Mn and 56Fe have been investigated. The new calculations on the excitation functions of 27 Al(n, p) 27 Mg, 51 V(n, p) 51 Ti, 52 Cr(n, p) 52 V, 55 Mn(n, p) 55 Cr and 56 Fe(n, p) 56 Mn reactions have been carried out up to 30 MeV incident neutron energy. Statistical model calculations, based on the Hauser-Feshbach formalism, have been carried out using the TALYS-1.0 and were compared with available experimental data in the literature and with ENDF/B-VII, T = 300 K; JENDL-3.3, T = 300 K and JEFF-3.1, T = 300 K evaluated libraries.

Isomeric ratio measurements for the radiative neutron capture 176Lu(n ,γ ) at the LANL DANCE facility

NASA Astrophysics Data System (ADS)

Denis-Petit, D.; Roig, O.; Méot, V.; Morillon, B.; Romain, P.; Jandel, M.; Kawano, T.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

2016-11-01

The isomeric ratios for the neutron capture reaction 176Lu(n ,γ ) to the Jπ=5 /2- , 761.7 keV, T1 /2=32.8 ns and the Jπ=15 /2+ , 1356.9 keV, T1 /2=11.1 ns levels of 177Lu have been measured for the first time. The experiment was carried out with the Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos National Laboratory. Measured isomeric ratios are compared with talys calculations using different models for photon strength functions, level densities, and optical potentials. In order to reproduce the experimental γ -ray spectra, a low-energy resonance must be added in the photon strength function used in our Hauser-Feshbach calculations.

Neutron-capture cross-section measurements of 74Ge and 76Ge in the energy region 0.4-14.8 MeV for neutrinoless double β decay applications

NASA Astrophysics Data System (ADS)

Bhike, Megha; Tornow, Werner

2013-10-01

Fast neutron capture cross sections for the reactions 74Ge(n, γ)75Ge and 76Ge(n, γ)77Ge have been measured in the neutron energy region 0.4-14.8 MeV with the activation method. The results are important to identify backgrounds in the neutrinoless double- β decay experiments GERDA and MAJORANA, which use germanium as both source and detector. Isotopically enriched targets which consisted of 86% of 76Ge and 14% of 74Ge were irradiated with mono-energetic neutrons produced via 3H(p,n)3He, 2H(d,n)3He and 3H(d,n)4He reactions. The cross sections were determined relative to 197Au(n, γ)198Au, 115In(n,n')115mIn and 197Au(n,2n)196Au standard cross sections. The activities of the products were measured using high-resolution γ-ray spctroscopy. The present results are compared with the evaluated data from ENDF/B-VII.1 and TALYS.

Osteochondrosis, Synovial Fossae, and Articular Indentations in the Talus and Distal Tibia of Growing Domestic Pigs and Wild Boars.

PubMed

Etterlin, P E; Ekman, S; Strand, R; Olstad, K; Ley, C J

2017-05-01

Articular osteochondrosis (OC) often develops in typical locations within joints, and the characterization of OC distribution in the pig tarsus is incomplete. Prevalence of OC is high in domestic pigs but is presumed to be low in wild boars. Postmortem and computed tomography (CT) examinations of the talus and distal tibia from 40 domestic pigs and 39 wild boars were evaluated for the locations and frequencies of OC, synovial fossae, and other articular indentations, and frequency distribution maps were made. All domestic pigs but only 5 wild boars (13%) had OC on the talus. In domestic pigs, OC consistently affected the axial aspect of the medial trochlea tali in 11 (28%) joints and the distomedial talus in 26 (65%) joints. In wild boars, all OC lesions consistently affected the distomedial talus. On the articular surface of the distal tibia, all domestic pigs and 34 wild boars (87%) had synovial fossae and 7 domestic pigs (18%) had superficial cartilage fibrillation opposite an OC lesion (kissing lesion). Other articular indentations occurred in the intertrochlear groove of the talus in all domestic pigs and 13 wild boars (33%) and were less common on the trochlea tali. The prevalence of tarsal OC in wild boars is low. In domestic pigs and wild boars, OC is typically localized to the distomedial talus and in domestic pigs also to the medial trochlea tali. Further investigations into the reasons for the low OC prevalence in wild boars may help in developing strategies to reduce OC incidence in domestic pigs.

First cross-section measurements of the reactions Ag,109107(p ,γ )Cd,110108 at energies relevant to the p process

NASA Astrophysics Data System (ADS)

Khaliel, A.; Mertzimekis, T. J.; Asimakopoulou, E.-M.; Kanellakopoulos, A.; Lagaki, V.; Psaltis, A.; Psyrra, I.; Mavrommatis, E.

2017-09-01

Background: One of the primary objectives of the field of Nuclear Astrophysics is the study of the elemental and isotopic abundances in the universe. Although significant progress has been made in understanding the mechanisms behind the production of a large number of nuclides in the isotopic chart, there are still many open questions regarding a number of neutron-deficient nuclei, the p nuclei. To that end, experimentally deduced nuclear reaction cross sections can provide invaluable input to astrophysical models. Purpose: The reactions Ag,109107(p ,γ )Cd,110108 have been studied at energies inside the astrophysically relevant energy window in an attempt to provide experimental data required for the testing of reaction-rate predictions in terms of the statistical model of Hauser-Feshbach around the p nucleus 108Cd. Methods: The experiments were performed with in-beam γ -ray spectroscopy with proton beams accelerated by the Tandem Van de Graaff Accelerator at NCSR "Demokritos" impinging a target of natural silver. A set of high-purity germanium detectors was employed to record the emitted radiation. Results: A first set of total cross-section measurements in radiative proton-capture reactions involving Ag,109107, producing the p -nucleus 108Cd, inside the astrophysically relevant energy window is reported. The experimental results are compared to theoretical calculations, using talys. An overall good agreement between the data and the theoretical calculations has been found. Conclusions: The results reported in this work add new information to the relatively unexplored p process. The present measurements can serve as a reference point in understanding the nuclear parameters in the related astrophysical environments and for future theoretical modeling and experimental works.

The CCONE Code System and its Application to Nuclear Data Evaluation for Fission and Other Reactions

NASA Astrophysics Data System (ADS)

Iwamoto, O.; Iwamoto, N.; Kunieda, S.; Minato, F.; Shibata, K.

2016-01-01

A computer code system, CCONE, was developed for nuclear data evaluation within the JENDL project. The CCONE code system integrates various nuclear reaction models needed to describe nucleon, light charged nuclei up to alpha-particle and photon induced reactions. The code is written in the C++ programming language using an object-oriented technology. At first, it was applied to neutron-induced reaction data on actinides, which were compiled into JENDL Actinide File 2008 and JENDL-4.0. It has been extensively used in various nuclear data evaluations for both actinide and non-actinide nuclei. The CCONE code has been upgraded to nuclear data evaluation at higher incident energies for neutron-, proton-, and photon-induced reactions. It was also used for estimating β-delayed neutron emission. This paper describes the CCONE code system indicating the concept and design of coding and inputs. Details of the formulation for modelings of the direct, pre-equilibrium and compound reactions are presented. Applications to the nuclear data evaluations such as neutron-induced reactions on actinides and medium-heavy nuclei, high-energy nucleon-induced reactions, photonuclear reaction and β-delayed neutron emission are mentioned.

New production cross sections for the theranostic radionuclide 67Cu

NASA Astrophysics Data System (ADS)

Pupillo, Gaia; Sounalet, Thomas; Michel, Nathalie; Mou, Liliana; Esposito, Juan; Haddad, Férid

2018-01-01

The cross sections of the 68Zn(p,2p)67Cu, 68Zn(p,2n)67Ga and 68Zn(p,3n)66Ga reactions were measured at the ARRONAX facility by using the 70 MeV cyclotron, with particular attention to the production of the theranostic radionuclide 67Cu. Enriched 68Zn material was electroplated on silver backing and exposed to a low-intensity proton beam by using the stacked-foils target method. Since 67Cu and 67Ga radionuclides have similar half-lives and same γ-lines (they both decay to 67Zn), a radiochemical process aimed at Cu/Ga separation was mandatory to avoid interferences in γ-spectrometry measurements. A simple chemical procedure having a high separation efficiency (>99%) was developed and monitored during each foil processing, thanks to the tracer isotopes 61Cu and 66Ga. Nuclear cross sections were measured in the energy range 35-70 MeV by using reference reactions recommended by the International Atomic Energy Agency (IAEA) to monitor beam flux. In comparison with literature data a general good agreement on the trend of the nuclear reactions was noted, especially with latest measurements, but slightly lower values were obtained in case of 67Cu. Experimental results of the 68Zn(p,2p)67Cu, 68Zn(p,2n)67Ga and 68Zn(p,3n)66Ga reactions were also compared with the theoretical values estimated by using the software TALYS. The production yield of the theranostic radionuclide 67Cu was estimated considering the results obtained in this work.

Sharing a Disparate Landscape

ERIC Educational Resources Information Center

Ali-Khan, Carolyne

2010-01-01

Working across boundaries of power, identity, and political geography is fraught with difficulties and contradictions. In Tali Tal and Iris Alkaher's, "Collaborative environmental projects in a multicultural society: Working from within separate or mutual landscapes?" the authors describe their efforts to do this in the highly charged…

The impact of different types of talus deformation after treatment of clubfeet.

PubMed

Kolb, Alexander; Willegger, Madeleine; Schuh, Reinhard; Kaider, Alexandra; Chiari, Catharina; Windhager, Reinhard

2017-01-01

Deformation of the talus in idiopathic congenital clubfeet is a known problem after treatment. However evidence on types of talus deformation and clinical relevance is rare. The aims of this study were first to define different types of talus deformation, and second, to evaluate the impact of these types on long-term results. At a minimum follow-up of ten years 40 idiopathic clubfeet treated by a modified dorsomedial release were analyzed. Based on morphological appearance and the widened range of radius to length ratios (R/L-ratio) in treated clubfeet deformed tali were divided into two groups: tali with decreased R/L-ratios were classified as small-dome talus deformation (SD), tali with increased R/L-ratios were classified as flat-top talus deformation (FT). The impact on degree of arthrosis in the ankle joint, clinical outcome, and ankle range of motion was analyzed. Small-dome talus deformation (SD) was found in nine feet. This group showed decreased R/L-ratios and increased talus opening angles, which were linked to an increased range of motion of the ankle joint (p = 0.033). The impact on onset of arthrosis was not significant for this group (p = 0.056). The group of flat top talus deformation (nine feet) showed increased R/L-ratios and decreased talus opening angles, decreased range of motion (p = 0.019), and a significant impact on onset of arthrosis (p = 0.010). Our study defines a new subgroup of talus deformation: the small dome talus deformation tends to show a better ankle joint range of motion and a lower risk of arthrosis compared to the classical flat dome talus deformation.

76 FR 49459 - Notice of Proposed Information Collection Requests

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-10

... feedback; teachers' instructional beliefs and pedagogical practices; school climate and ethos; [[Page 49460... schools. Data are collected through questionnaires from individual teachers and their school principals in lower secondary schools (grades 7, 8 and 9) in the United States. TALIS' main objective is to help...

MESH Pakistan: Prospects and Challenges

ERIC Educational Resources Information Center

Leask, Marilyn; Jumani, Nabi Bux

2015-01-01

The Organisation for Economic Co-operation and Development periodically surveys teaching and learning issues (the TALIS surveys) in the most developed countries. In their 2009 report, they commented that although teacher quality is the fundamental component in high performing systems, the education sector has been slow to develop systemic…

Teaching Practices and Pedagogical Innovations: Evidence from TALIS

ERIC Educational Resources Information Center

Vieluf, Svenja; Kaplan, David; Klieme, Eckhard; Bayer, Sonja

2012-01-01

Fortunately, teaching practices help shape the learning experiences and increase motivation and achievement for students. In addition, it has been revealed that when teachers collaborate well together they also tend to work better with students. This new informative publication clearly identifies and arranges profiles in relation to two connected…

Professional Learning as a Predictor for Instructional Quality: A Secondary Analysis of TALIS

ERIC Educational Resources Information Center

Dogan, Selçuk; Yurtseven, Nihal

2018-01-01

The purpose of this study is to examine the effect of teachers' professional learning opportunities on instructional quality, which represents a combined approach of behaviorist, cognitivist, and constructivist principles in teaching. We incorporated professional learning communities (PLCs), professional development (PD) days, as well as 3 PD…

Moving from Batch to Field Using the RT3D Reactive Transport Modeling System

NASA Astrophysics Data System (ADS)

Clement, T. P.; Gautam, T. R.

2002-12-01

The public domain reactive transport code RT3D (Clement, 1997) is a general-purpose numerical code for solving coupled, multi-species reactive transport in saturated groundwater systems. The code uses MODFLOW to simulate flow and several modules of MT3DMS to simulate the advection and dispersion processes. RT3D employs the operator-split strategy which allows the code solve the coupled reactive transport problem in a modular fashion. The coupling between reaction and transport is defined through a separate module where the reaction equations are specified. The code supports a versatile user-defined reaction option that allows users to define their own reaction system through a Fortran-90 subroutine, known as the RT3D-reaction package. Further a utility code, known as BATCHRXN, allows the users to independently test and debug their reaction package. To analyze a new reaction system at a batch scale, users should first run BATCHRXN to test the ability of their reaction package to model the batch data. After testing, the reaction package can simply be ported to the RT3D environment to study the model response under 1-, 2-, or 3-dimensional transport conditions. This paper presents example problems that demonstrate the methods for moving from batch to field-scale simulations using BATCHRXN and RT3D codes. The first example describes a simple first-order reaction system for simulating the sequential degradation of Tetrachloroethene (PCE) and its daughter products. The second example uses a relatively complex reaction system for describing the multiple degradation pathways of Tetrachloroethane (PCA) and its daughter products. References 1) Clement, T.P, RT3D - A modular computer code for simulating reactive multi-species transport in 3-Dimensional groundwater aquifers, Battelle Pacific Northwest National Laboratory Research Report, PNNL-SA-28967, September, 1997. Available at: http://bioprocess.pnl.gov/rt3d.htm.

Instructional Leadership Practices and Teacher Efficacy Beliefs: Cross-National Evidence from TALIS

ERIC Educational Resources Information Center

Rew, W. Joshua

2013-01-01

School principals have a small to moderate influence on student achievement; however, this influence is largely indirect via the behaviors, beliefs, knowledge, practices, and competencies of their teachers. Despite a growing number of studies examining the indirect influence of school principals on student achievement, there is still much to know…

Teaching with Technology. Teaching in Focus. No. 12

ERIC Educational Resources Information Center

OECD Publishing, 2015

2015-01-01

Information and communication technology (ICT) use has been identified as one of the more active teaching practices, which promote skills students need for success. And yet, less than 40% of teachers across Teaching and Learning International Survey (TALIS) countries report using ICT as a regular part of their teaching practice. Shortages in…

A systematic review of validated methods for identifying transfusion-related ABO incompatibility reactions using administrative and claims data.

PubMed

Carnahan, Ryan M; Kee, Vicki R

2012-01-01

This paper aimed to systematically review algorithms to identify transfusion-related ABO incompatibility reactions in administrative data, with a focus on studies that have examined the validity of the algorithms. A literature search was conducted using PubMed, Iowa Drug Information Service database, and Embase. A Google Scholar search was also conducted because of the difficulty identifying relevant studies. Reviews were conducted by two investigators to identify studies using data sources from the USA or Canada because these data sources were most likely to reflect the coding practices of Mini-Sentinel data sources. One study was found that validated International Classification of Diseases (ICD-9-CM) codes representing transfusion reactions. None of these cases were ABO incompatibility reactions. Several studies consistently used ICD-9-CM code 999.6, which represents ABO incompatibility reactions, and a technical report identified the ICD-10 code for these reactions. One study included the E-code E8760 for mismatched blood in transfusion in the algorithm. Another study reported finding no ABO incompatibility reaction codes in the Healthcare Cost and Utilization Project Nationwide Inpatient Sample database, which contains data of 2.23 million patients who received transfusions, raising questions about the sensitivity of administrative data for identifying such reactions. Two studies reported perfect specificity, with sensitivity ranging from 21% to 83%, for the code identifying allogeneic red blood cell transfusions in hospitalized patients. There is no information to assess the validity of algorithms to identify transfusion-related ABO incompatibility reactions. Further information on the validity of algorithms to identify transfusions would also be useful. Copyright © 2012 John Wiley & Sons, Ltd.

Classroom Disciplinary Climate in Secondary Schools in England: What Is the Real Picture?

ERIC Educational Resources Information Center

Jenkins, Andrew; Ueno, Akiko

2017-01-01

This paper uses international data from a range of sources, principally the 2013 round of the Teaching and Learning International Survey (TALIS 2013), to provide new information on classroom disciplinary climate in secondary schools in England. The paper advances the literature in three distinct ways. Firstly, the data show that teachers in…

The Global Teaching Profession: How Treating Teachers as Knowledge Workers Improves the Esteem of the Teaching Profession

ERIC Educational Resources Information Center

Price, Heather E.; Weatherby, Kristen

2018-01-01

To better understand the status of the teaching profession, we present a conceptual framework outlining the 4 domains of knowledge-worker professionals: professional benchmarks, professional discretion, room for promotion, and workplace conditions and use the TALIS 2013 survey data to show that these domains exist globally and vary within…

How School Context and Educator Characteristics Predict Distributed Leadership: A Hierarchical Structural Equation Model with 2013 TALIS Data

ERIC Educational Resources Information Center

Liu, Yan; Bellibas, Mehmet Sukru; Printy, Susan

2018-01-01

Distributed leadership is a dynamic process and reciprocal interaction of the leader, the subordinates and the situation. This research was inspired by the theoretical framework of Spillane in order to contextualize distributed leadership and compare the variations using the Teaching and Learning International Survey 2013 data. The two-level…

How Do Teachers Teach? Insights from Teachers and Students. Teaching in Focus No. 18

ERIC Educational Resources Information Center

OECD Publishing, 2017

2017-01-01

Educational quality is defined and shaped by the classroom practices implemented by teachers in our schools. The Teaching and Learning International Survey (TALIS)-PISA link presents a unique opportunity to explore what takes place in the classroom by listening to the voices of teachers and students. Teachers, with their professional training and…

Improving the Professional Knowledge Base for Education: Using Knowledge Management and Web 2.0 Tools

ERIC Educational Resources Information Center

Leask, Marilyn

2011-01-01

Improving education systems is an elusive goal. Despite considerable investment, international studies such as the Teaching and Learning International Survey (TALIS) project of the Organisation for Economic Cooperation and Development (OECD) and the McKinsey Report, "How The World's Best Performing Schools Come Out On Top", indicate that improving…

The Effects of Professional Development Activities on Principals' Perceived Instructional Leadership Practices: Multi-Country Data Analysis Using TALIS 2013

ERIC Educational Resources Information Center

Gumus, Emine; Bellibas, Mehmet Sukru

2016-01-01

The purpose of this study was to investigate the extent to which professional development predicts principals' instructional leadership in order to identify whether a relationship exists between the duration of principals' participation in distinct professional development activities and their perceived practice of instructional leadership while…

CEM2k and LAQGSM Codes as Event-Generators for Space Radiation Shield and Cosmic Rays Propagation Applications

NASA Technical Reports Server (NTRS)

Mashnik, S. G.; Gudima, K. K.; Sierk, A. J.; Moskalenko, I. V.

2002-01-01

Space radiation shield applications and studies of cosmic ray propagation in the Galaxy require reliable cross sections to calculate spectra of secondary particles and yields of the isotopes produced in nuclear reactions induced both by particles and nuclei at energies from threshold to hundreds of GeV per nucleon. Since the data often exist in a very limited energy range or sometimes not at all, the only way to obtain an estimate of the production cross sections is to use theoretical models and codes. Recently, we have developed improved versions of the Cascade-Exciton Model (CEM) of nuclear reactions: the codes CEM97 and CEM2k for description of particle-nucleus reactions at energies up to about 5 GeV. In addition, we have developed a LANL version of the Quark-Gluon String Model (LAQGSM) to describe reactions induced both by particles and nuclei at energies up to hundreds of GeVhucleon. We have tested and benchmarked the CEM and LAQGSM codes against a large variety of experimental data and have compared their results with predictions by other currently available models and codes. Our benchmarks show that CEM and LAQGSM codes have predictive powers no worse than other currently used codes and describe many reactions better than other codes; therefore both our codes can be used as reliable event-generators for space radiation shield and cosmic ray propagation applications. The CEM2k code is being incorporated into the transport code MCNPX (and several other transport codes), and we plan to incorporate LAQGSM into MCNPX in the near future. Here, we present the current status of the CEM2k and LAQGSM codes, and show results and applications to studies of cosmic ray propagation in the Galaxy.

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1993-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Reaction path of energetic materials using THOR code

NASA Astrophysics Data System (ADS)

Durães, L.; Campos, J.; Portugal, A.

1998-07-01

The method of predicting reaction path, using THOR code, allows for isobar and isochor adiabatic combustion and CJ detonation regimes, the calculation of the composition and thermodynamic properties of reaction products of energetic materials. THOR code assumes the thermodynamic equilibria of all possible products, for the minimum Gibbs free energy, using HL EoS. The code allows the possibility of estimating various sets of reaction products, obtained successively by the decomposition of the original reacting compound, as a function of the released energy. Two case studies of thermal decomposition procedure were selected, calculated and discussed—pure Ammonium Nitrate and its based explosive ANFO, and Nitromethane—because their equivalence ratio is respectively lower, near and greater than the stoicheiometry. Predictions of reaction path are in good correlation with experimental values, proving the validity of proposed method.

LSENS, The NASA Lewis Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

2000-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS (the NASA Lewis kinetics and sensitivity analysis code), are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include: static system; steady, one-dimensional, inviscid flow; incident-shock initiated reaction in a shock tube; and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method (LSODE, the Livermore Solver for Ordinary Differential Equations), which works efficiently for the extremes of very fast and very slow reactions, is used to solve the "stiff" ordinary differential equation systems that arise in chemical kinetics. For static reactions, the code uses the decoupled direct method to calculate sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters. Solution methods for the equilibrium and post-shock conditions and for perfectly stirred reactor problems are either adapted from or based on the procedures built into the NASA code CEA (Chemical Equilibrium and Applications).

Simulation studies of chemical erosion on carbon based materials at elevated temperatures

NASA Astrophysics Data System (ADS)

Kenmotsu, T.; Kawamura, T.; Li, Zhijie; Ono, T.; Yamamura, Y.

1999-06-01

We simulated the fluence dependence of methane reaction yield in carbon with hydrogen bombardment using the ACAT-DIFFUSE code. The ACAT-DIFFUSE code is a simulation code based on a Monte Carlo method with a binary collision approximation and on solving diffusion equations. The chemical reaction model in carbon was studied by Roth or other researchers. Roth's model is suitable for the steady state methane reaction. But this model cannot estimate the fluence dependence of the methane reaction. Then, we derived an empirical formula based on Roth's model for methane reaction. In this empirical formula, we assumed the reaction region where chemical sputtering due to methane formation takes place. The reaction region corresponds to the peak range of incident hydrogen distribution in the target material. We adopted this empirical formula to the ACAT-DIFFUSE code. The simulation results indicate the similar fluence dependence compared with the experiment result. But, the fluence to achieve the steady state are different between experiment and simulation results.

GCKP84-general chemical kinetics code for gas-phase flow and batch processes including heat transfer effects

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Scullin, V. J.

1984-01-01

A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

EMPIRE: A code for nuclear astrophysics

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

Palumbo, A.

The nuclear reaction code EMPIRE is presented as a useful tool for nuclear astrophysics. EMPIRE combines a variety of the reaction models with a comprehensive library of input parameters providing a diversity of options for the user. With exclusion of the directsemidirect capture all reaction mechanisms relevant to the nuclear astrophysics energy range of interest are implemented in the code. Comparison to experimental data show consistent agreement for all relevant channels.

CRUNCH_PARALLEL

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

Shumaker, Dana E.; Steefel, Carl I.

The code CRUNCH_PARALLEL is a parallel version of the CRUNCH code. CRUNCH code version 2.0 was previously released by LLNL, (UCRL-CODE-200063). Crunch is a general purpose reactive transport code developed by Carl Steefel and Yabusake (Steefel Yabsaki 1996). The code handles non-isothermal transport and reaction in one, two, and three dimensions. The reaction algorithm is generic in form, handling an arbitrary number of aqueous and surface complexation as well as mineral dissolution/precipitation. A standardized database is used containing thermodynamic and kinetic data. The code includes advective, dispersive, and diffusive transport.

Reading Three Israeli Bat/Bar Mitzvah Curricula as Gender, Theological, and Autobiographical Texts

ERIC Educational Resources Information Center

Bacon, Brenda Socachevsky

2008-01-01

This article analyzes three curricula for the bat/bar-mitzvah year of the public religious, Tali and public schools in Israel. It compares their views on gender and theology, and throws light on the intersection of gender, religion and education in Israeli society. It shows how the messages of the public religious and public schools serve to…

U.S. EPA, Pesticide Product Label, SUMMER COMFORT COAT SPRAY, 07/08/1971

EPA Pesticide Factsheets

2011-04-19

...

[Prevalence of the use of skin bleaching cosmetics in two areas in Dakar (Sénégal)].

PubMed

Wone, I; Tal-Dia, A; Diallo, O F; Badiane, M; Touré, K; Diallo, I

2000-01-01

The use of skin bleaching cosmetics is an increasingly widespread phenomenon in Africa. If the negative sanitary effects of this practice are today well known, reliable statistics on the importance of the problem within the global population are rare. Our study, conducted in two popular areas in Dakar, Usine bene taly and Usine Niary Taly, had 2 objectives: to determine the prevalence of the use of skin bleaching cosmetics in the studied zones, to describe the prevalence according to the following variables: age, matrimonial situation, level and/or type of instruction, job, type of agents used. For that purpose, we conducted a transverse study on a representative sample of 600 women from 15 to 55 years old. This study reveals a prevalence of the use of skin bleaching cosmetics of 67.2%. The agents found are hydroquinone derivatives (61%), topical corticosteroids (37%) and agents from unknown origin (2%). The use of skin bleaching cosmetics is more important among young women between 30 to 44 years (72.5%), married (72.2%), analphabets (75%), working (77.6%). Studies conducted in Mali and Togo gave comparable results, which give perspectives for a prevention based on education an awareness.

The Treatment Effect of Porous Titanium Alloy Rod on the Early Stage Talar Osteonecrosis of Sheep

PubMed Central

Zhang, Yong-Quan; Zhang, Zhi-Yong; Guo, Zheng

2013-01-01

Osteonecrosis of the talus (ONT) may severely affect the function of the ankle joint. Most orthopedists believe that ONT should be treated at an early stage, but a concise and effective surgical treatment is lacking. In this study, porous titanium alloy rods were prepared and implanted into the tali of sheep with early-stage ONT (IM group). The curative effect of the rods was compared to treatment by core decompression (DC group). No significant differences in bone reconstruction were observed between the two groups at 1 month after intervention. After 3 months, the macroscopic view of gross specimens of the IM group showed ordinary contours, but the specimens of the DC group showed obvious partial bone defects and cartilage degeneration. Quantitative analysis of the reconstructed trabeculae by micro-CT and histological study suggested that the curative effect of the IM group was superior to that of the DC group at 3 months after intervention. These favorable short-term results of the implantation of porous titanium alloy rods into the tali of sheep with early-stage ONT may provide insight into an innovative surgical treatment for ONT. PMID:23516485

Development of the Off-line Analysis Code for GODDESS

NASA Astrophysics Data System (ADS)

Garland, Heather; Cizewski, Jolie; Lepailleur, Alex; Walters, David; Pain, Steve; Smith, Karl

2016-09-01

Determining (n, γ) cross sections on unstable nuclei is important for understanding the r-process that is theorized to occur in supernovae and neutron-star mergers. However, (n, γ) reactions are difficult to measure directly because of the short lifetime of the involved neutron rich nuclei. A possible surrogate for the (n, γ) reaction is the (d,p γ) reaction; the measurement of these reactions in inverse kinematics is part of the scope of GODDESS - Gammasphere ORRUBA (Oak Ridge Rutgers University Barrel Array): Dual Detectors for Experimental Structure Studies. The development of an accurate and efficient off-line analysis code for GODDESS experiments is not only essential, but also provides a unique opportunity to create an analysis code designed specifically for transfer reaction experiments. The off-line analysis code has been developed to produce histograms from the binary data file to determine how to best sort events. Recent developments in the off-line analysis code will be presented as well as details on the energy and position calibrations for the ORRUBA detectors. This work is supported in part by the U.S. Department of Energy and National Science Foundation.

EMPIRE: A Reaction Model Code for Nuclear Astrophysics

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

Palumbo, A., E-mail: apalumbo@bnl.gov; Herman, M.; Capote, R.

The correct modeling of abundances requires knowledge of nuclear cross sections for a variety of neutron, charged particle and γ induced reactions. These involve targets far from stability and are therefore difficult (or currently impossible) to measure. Nuclear reaction theory provides the only way to estimate values of such cross sections. In this paper we present application of the EMPIRE reaction code to nuclear astrophysics. Recent measurements are compared to the calculated cross sections showing consistent agreement for n-, p- and α-induced reactions of strophysical relevance.

γ production and neutron inelastic scattering cross sections for 76Ge

NASA Astrophysics Data System (ADS)

Rouki, C.; Domula, A. R.; Drohé, J. C.; Koning, A. J.; Plompen, A. J. M.; Zuber, K.

2013-11-01

The 2040.7-keV γ ray from the 69th excited state of 76Ge was investigated in the interest of Ge-based double-β-decay experiments like the Germanium Detector Array (GERDA) experiment. The predicted transition could interfere with valid 0νββ events at 2039.0 keV, creating false signals in large-volume 76Ge enriched detectors. The measurement was performed with the Gamma Array for Inelastic Neutron Scattering (GAINS) at the Geel Electron Linear Accelerator (GELINA) white neutron source, using the (n,n'γ) technique and focusing on the strongest γ rays originating from the level. Upper limits obtained for the production cross section of the 2040.7-keV γ ray showed no possible influence on GERDA data. Additional analysis of the data yielded high-resolution cross sections for the low-lying states of 76Ge and related γ rays, improving the accuracy and extending existing data for five transitions and five levels. The inelastic scattering cross section for 76Ge was determined for incident neutron energies up to 2.23 MeV, significantly increasing the energy range for which experimental data are available. Comparisons with model calculations using the talys code are presented indicating that accounting for the recently established asymmetric rotor structure should lead to an improved description of the data.

Developing a Multi-Dimensional Hydrodynamics Code with Astrochemical Reactions

NASA Astrophysics Data System (ADS)

Kwak, Kyujin; Yang, Seungwon

2015-08-01

The Atacama Large Millimeter/submillimeter Array (ALMA) revealed high resolution molecular lines some of which are still unidentified yet. Because formation of these astrochemical molecules has been seldom studied in traditional chemistry, observations of new molecular lines drew a lot of attention from not only astronomers but also chemists both experimental and theoretical. Theoretical calculations for the formation of these astrochemical molecules have been carried out providing reaction rates for some important molecules, and some of theoretical predictions have been measured in laboratories. The reaction rates for the astronomically important molecules are now collected to form databases some of which are publically available. By utilizing these databases, we develop a multi-dimensional hydrodynamics code that includes the reaction rates of astrochemical molecules. Because this type of hydrodynamics code is able to trace the molecular formation in a non-equilibrium fashion, it is useful to study the formation history of these molecules that affects the spatial distribution of some specific molecules. We present the development procedure of this code and some test problems in order to verify and validate the developed code.

A Radiation Chemistry Code Based on the Green's Function of the Diffusion Equation

NASA Technical Reports Server (NTRS)

Plante, Ianik; Wu, Honglu

2014-01-01

Stochastic radiation track structure codes are of great interest for space radiation studies and hadron therapy in medicine. These codes are used for a many purposes, notably for microdosimetry and DNA damage studies. In the last two decades, they were also used with the Independent Reaction Times (IRT) method in the simulation of chemical reactions, to calculate the yield of various radiolytic species produced during the radiolysis of water and in chemical dosimeters. Recently, we have developed a Green's function based code to simulate reversible chemical reactions with an intermediate state, which yielded results in excellent agreement with those obtained by using the IRT method. This code was also used to simulate and the interaction of particles with membrane receptors. We are in the process of including this program for use with the Monte-Carlo track structure code Relativistic Ion Tracks (RITRACKS). This recent addition should greatly expand the capabilities of RITRACKS, notably to simulate DNA damage by both the direct and indirect effect.

Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-2

NASA Technical Reports Server (NTRS)

Nguyen, H. L.; Ying, S.-J.

1990-01-01

Jet-A spray combustion has been evaluated in gas turbine combustion with the use of propane chemical kinetics as the first approximation for the chemical reactions. Here, the numerical solutions are obtained by using the KIVA-2 computer code. The KIVA-2 code is the most developed of the available multidimensional combustion computer programs for application of the in-cylinder combustion dynamics of internal combustion engines. The released version of KIVA-2 assumes that 12 chemical species are present; the code uses an Arrhenius kinetic-controlled combustion model governed by a four-step global chemical reaction and six equilibrium reactions. Researchers efforts involve the addition of Jet-A thermophysical properties and the implementation of detailed reaction mechanisms for propane oxidation. Three different detailed reaction mechanism models are considered. The first model consists of 131 reactions and 45 species. This is considered as the full mechanism which is developed through the study of chemical kinetics of propane combustion in an enclosed chamber. The full mechanism is evaluated by comparing calculated ignition delay times with available shock tube data. However, these detailed reactions occupy too much computer memory and CPU time for the computation. Therefore, it only serves as a benchmark case by which to evaluate other simplified models. Two possible simplified models were tested in the existing computer code KIVA-2 for the same conditions as used with the full mechanism. One model is obtained through a sensitivity analysis using LSENS, the general kinetics and sensitivity analysis program code of D. A. Bittker and K. Radhakrishnan. This model consists of 45 chemical reactions and 27 species. The other model is based on the work published by C. K. Westbrook and F. L. Dryer.

A Design Methodology and Prototype for the Reserve Training Support System.

DTIC Science & Technology

1985-03-01

guaranteeing that t d) taLIeS tat are ftn joined togjther art also stored to3Ltner. Clusterin- S Otal’ly transprent o ,ll :ueiin aloi -It the Ja Ca...ACDUTRA 23-JAN-85 G C G G G 2. MIDDLE LEVEL W INSLOW SEEGER WINSLOW NAME 30-JAN-85 Y G C G WINSLCW SEGER WINSLOW RUIC BILLET 04-FEB-35 Y Y Y Y RINSLOW

Sir John Pople, Gaussian Code, and Complex Chemical Reactions

Science.gov Websites

tool that describes the dance of molecules in chemical reactions ... . Dr. Pople was among the first to colors of light they will absorb or emit, and the pace of chemical reactions. The work culminated in a dropdown arrow Site Map A-Z Index Menu Synopsis Sir John Pople, Gaussian Code, and Complex Chemical

Modeling chemical gradients in sediments under losing and gaining flow conditions: The GRADIENT code

NASA Astrophysics Data System (ADS)

Boano, Fulvio; De Falco, Natalie; Arnon, Shai

2018-02-01

Interfaces between sediments and water bodies often represent biochemical hotspots for nutrient reactions and are characterized by steep concentration gradients of different reactive solutes. Vertical profiles of these concentrations are routinely collected to obtain information on nutrient dynamics, and simple codes have been developed to analyze these profiles and determine the magnitude and distribution of reaction rates within sediments. However, existing publicly available codes do not consider the potential contribution of water flow in the sediments to nutrient transport, and their applications to field sites with significant water-borne nutrient fluxes may lead to large errors in the estimated reaction rates. To fill this gap, the present work presents GRADIENT, a novel algorithm to evaluate distributions of reaction rates from observed concentration profiles. GRADIENT is a Matlab code that extends a previously published framework to include the role of nutrient advection, and provides robust estimates of reaction rates in sediments with significant water flow. This work discusses the theoretical basis of the method and shows its performance by comparing the results to a series of synthetic data and to laboratory experiments. The results clearly show that in systems with losing or gaining fluxes, the inclusion of such fluxes is critical for estimating local and overall reaction rates in sediments.

2D and 3D assessment of sustentaculum tali screw fixation with or without Screw Targeting Clamp.

PubMed

De Boer, A Siebe; Van Lieshout, Esther M M; Vellekoop, Leonie; Knops, Simon P; Kleinrensink, Gert-Jan; Verhofstad, Michael H J

2017-12-01

Precise placement of sustentaculum tali screw(s) is essential for restoring anatomy and biomechanical stability of the calcaneus. This can be challenging due to the small target area and presence of neurovascular structures on the medial side. The aim was to evaluate the precision of positioning of the subchondral posterior facet screw and processus anterior calcanei screw with or without a Screw Targeting Clamp. The secondary aim was to evaluate the added value of peroperative 3D imaging over 2D radiographs alone. Twenty Anubifix™ embalmed, human anatomic lower limb specimens were used. A subchondral posterior facet screw and a processus anterior calcanei screw were placed using an extended lateral approach. A senior orthopedic trauma surgeon experienced in calcaneal fracture surgery and a senior resident with limited experience in calcaneal surgery performed screw fixation in five specimens with and in five specimens without the clamp. 2D lateral and axial radiographs and a 3D recording were obtained postoperatively. Anatomical dissection was performed postoperatively as a diagnostic golden standard in order to obtain the factual screw positions. Blinded assessment of quality of fixation was performed by two surgeons. In 2D, eight screws were considered malpositioned when placed with the targeting device versus nine placed freehand. In 3D recordings, two additional screws were malpositioned in each group as compared to the golden standard. As opposed to the senior surgeon, the senior resident seemed to get the best results using the Screw Targeting Clamp (number of malpositioned screws using freehand was eight, and using the targeting clamp five). In nine out of 20 specimens 3D images provided additional information concerning target area and intra-articular placement. Based on the 3D assessment, five additional screws would have required repositioning. Except for one, all screw positions were rated equally after dissection when compared with 3D examinations. This study does not show a substantial benefit between the Screw Targeting Clamp and the freehand technique as well between experienced and inexperienced surgeons. Data suggest that the clamp might help positioning sustentaculum tali screws, especially for inexperienced surgeons. Perioperative 3D recordings facilitate identification of malpositioned screws. Copyright © 2017 Elsevier Ltd. All rights reserved.

Human calcanei from the Middle Pleistocene site of Sima de los Huesos (Sierra de Atapuerca, Burgos, Spain).

PubMed

Pablos, Adrián; Martínez, Ignacio; Lorenzo, Carlos; Sala, Nohemi; Gracia-Téllez, Ana; Arsuaga, Juan Luis

2014-11-01

The existence of calcanei in the fossil record prior to modern humans and Neandertals is very scarce. This skeletal element is fundamental to understanding the evolution of the morphology of the foot in human evolution. Here we present and metrically and comparatively describe 29 calcaneus remains from the Middle Pleistocene site of Sima de los Huesos (SH) (Sierra de Atapuerca, Burgos, Spain). These calcanei belong to 15 individuals (nine adults, two adolescents and four immature individuals). The metric and morphological differences in the calcanei among Middle and Late Pleistocene hominins tend to be subtle. However, the calcanei from SH are broad and robust with large articular surfaces and most significantly, exhibit a very projected sustentaculum tali. A biomechanical and phylogenetic interpretation is proffered to explain the observed morphology of these calcanei. It has been possible to propose tentative sex assignments for the SH calcanei based on size, using methods similar to those used to establish sex from the talus bones from SH. The estimation of stature based on the calcaneus provides a mean of 175.3 cm for males and 160.6 for females, which is similar to that obtained using other skeletal parts from the site. In sum, the SH calcanei are robust with a proportionally long tubercle and a projected sustentaculum tali, which are traits shared by Neandertals. Copyright © 2014 Elsevier Ltd. All rights reserved.

Avoiding Pitfalls of Tibiotalocalcaneal Nail Malposition With Internal Rotation Axial Heel View.

PubMed

Callahan, Ryan; Juliano, Paul; Aydogan, Umur; Clayton, Justin

2018-04-01

Tibiotalocalcaneal (TTC) nails are often used for complex hind foot arthrodesis and deformity correction. The natural valgus alignment of the hindfoot creates a challenge to optimum placement of the guidewire and eventual nail with a straight or valgus-curved nail. Five fresh frozen cadavers were used for placement of a TTC guidewire with standard anterior-posterior (AP), lateral, and Harris axial heel views as a reference for proper placement. The limb was then rotated 15°, 30°, and 45° both internally and externally to evaluate the perceived amount of osseous purchase within the calcaneus. The TTC nail was then inserted and dissection was performed to demonstrate proximity of the nail to the sustentaculum tali and neurovascular structures. A 30° internal rotation Harris axial heel view demonstrated the most accurate representation of osseous purchase within the calcaneus with the guidewire and nail placement. When the guidewire was placed with standard imaging the nail was often ultimately placed in close proximity to the sustentaculum tali and neurovascular structures. Careful placement of the guidewire prior to reaming and nail placement should be undertaken to avoid neurovascular injury and to increase osseous purchase. For optimal guidewire placement, the authors suggest using appropriate anatomic landmarks and using a 30° internally rotated Harris axial heel view to verify correct placement. Level V: Expert opinion.

GLSENS: A Generalized Extension of LSENS Including Global Reactions and Added Sensitivity Analysis for the Perfectly Stirred Reactor

NASA Technical Reports Server (NTRS)

Bittker, David A.

1996-01-01

A generalized version of the NASA Lewis general kinetics code, LSENS, is described. The new code allows the use of global reactions as well as molecular processes in a chemical mechanism. The code also incorporates the capability of performing sensitivity analysis calculations for a perfectly stirred reactor rapidly and conveniently at the same time that the main kinetics calculations are being done. The GLSENS code has been extensively tested and has been found to be accurate and efficient. Nine example problems are presented and complete user instructions are given for the new capabilities. This report is to be used in conjunction with the documentation for the original LSENS code.

Moving Towards a State of the Art Charge-Exchange Reaction Code

NASA Astrophysics Data System (ADS)

Poxon-Pearson, Terri; Nunes, Filomena; Potel, Gregory

2017-09-01

Charge-exchange reactions have a wide range of applications, including late stellar evolution, constraining the matrix elements for neutrinoless double β-decay, and exploring symmetry energy and other aspects of exotic nuclear matter. Still, much of the reaction theory needed to describe these transitions is underdeveloped and relies on assumptions and simplifications that are often extended outside of their region of validity. In this work, we have begun to move towards a state of the art charge-exchange reaction code. As a first step, we focus on Fermi transitions using a Lane potential in a few body, Distorted Wave Born Approximation (DWBA) framework. We have focused on maintaining a modular structure for the code so we can later incorporate complications such as nonlocality, breakup, and microscopic inputs. Results using this new charge-exchange code will be shown compared to the analysis in for the case of 48Ca(p,n)48Sc. This work was supported in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through the U.S. DOE Cooperative Agreement No. DE- FG52-08NA2855.

Inspection of 56Fe γ-Ray angular distributions as a function of incident neutron energy using optical model approaches

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

Vanhoy, J. R.; Ramirez, A. P.; Alcorn-Dominguez, D. K.

Neutron inelastic scattering cross sections measured directly through (n,n) or deduced from g-ray production cross sections following inelastic neutron scattering (n,n0) are a focus of basic and applied research at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator). For nuclear data applications, angle-integrated cross sections are desired over a wide range of fast neutron energies. Several days of experimental beam time are required for a data set at each incident neutron energy, which limits the number of angular distributions that can be measured in a reasonable amount of time. Approximations can be employed to generate cross sections with a higher energymore » resolution, since at 125°, the a 2P 2 term of the Legendre expansion is identically zero and the a 4P 4 is assumed to be very small. Provided this assumption is true, a single measurement at 125o would produce the g-ray production cross section. Finally, this project tests these assumptions and energy dependences using the codes CINDY/SCAT and TALYS/ECIS06/SCAT. It is found that care must be taken when interpreting g-ray excitation functions as cross sections when the incident neutron energy is <1000 keV above threshold or before the onset of feeding.« less

Inspection of 56Fe γ-Ray angular distributions as a function of incident neutron energy using optical model approaches

DOE PAGES

Vanhoy, J. R.; Ramirez, A. P.; Alcorn-Dominguez, D. K.; ...

2017-09-13

Neutron inelastic scattering cross sections measured directly through (n,n) or deduced from g-ray production cross sections following inelastic neutron scattering (n,n0) are a focus of basic and applied research at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator). For nuclear data applications, angle-integrated cross sections are desired over a wide range of fast neutron energies. Several days of experimental beam time are required for a data set at each incident neutron energy, which limits the number of angular distributions that can be measured in a reasonable amount of time. Approximations can be employed to generate cross sections with a higher energymore » resolution, since at 125°, the a 2P 2 term of the Legendre expansion is identically zero and the a 4P 4 is assumed to be very small. Provided this assumption is true, a single measurement at 125o would produce the g-ray production cross section. Finally, this project tests these assumptions and energy dependences using the codes CINDY/SCAT and TALYS/ECIS06/SCAT. It is found that care must be taken when interpreting g-ray excitation functions as cross sections when the incident neutron energy is <1000 keV above threshold or before the onset of feeding.« less

Inspection of 56Fe γ-Ray angular distributions as a function of incident neutron energy using optical model approaches

NASA Astrophysics Data System (ADS)

Vanhoy, J. R.; Ramirez, A. P.; Alcorn-Dominguez, D. K.; Hicks, S. F.; Peters, E. E.; McEllistrem, M. T.; Mukhopadhyay, S.; Yates, S. W.

2017-09-01

Neutron inelastic scattering cross sections measured directly through (n,n) or deduced from γ-ray production cross sections following inelastic neutron scattering (n,n'γ) are a focus of basic and applied research at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator). For nuclear data applications, angle-integrated cross sections are desired over a wide range of fast neutron energies. Several days of experimental beam time are required for a data set at each incident neutron energy, which limits the number of angular distributions that can be measured in a reasonable amount of time. Approximations can be employed to generate cross sections with a higher energy resolution, since at 125o, the a2P2 term of the Legendre expansion is identically zero and the a4P4 is assumed to be very small. Provided this assumption is true, a single measurement at 125o would produce the γ-ray production cross section. This project tests these assumptions and energy dependences using the codes CINDY/SCAT and TALYS/ECIS06/SCAT. It is found that care must be taken when interpreting γ-ray excitation functions as cross sections when the incident neutron energy is < 1000 keV above threshold or before the onset of feeding.

A Radiation Shielding Code for Spacecraft and Its Validation

NASA Technical Reports Server (NTRS)

Shinn, J. L.; Cucinotta, F. A.; Singleterry, R. C.; Wilson, J. W.; Badavi, F. F.; Badhwar, G. D.; Miller, J.; Zeitlin, C.; Heilbronn, L.; Tripathi, R. K.

2000-01-01

The HZETRN code, which uses a deterministic approach pioneered at NASA Langley Research Center, has been developed over the past decade to evaluate the local radiation fields within sensitive materials (electronic devices and human tissue) on spacecraft in the space environment. The code describes the interactions of shield materials with the incident galactic cosmic rays, trapped protons, or energetic protons from solar particle events in free space and low Earth orbit. The content of incident radiations is modified by atomic and nuclear reactions with the spacecraft and radiation shield materials. High-energy heavy ions are fragmented into less massive reaction products, and reaction products are produced by direct knockout of shield constituents or from de-excitation products. An overview of the computational procedures and database which describe these interactions is given. Validation of the code with recent Monte Carlo benchmarks, and laboratory and flight measurement is also included.

Multi-scale modeling of irradiation effects in spallation neutron source materials

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Ito, T.; Iwase, H.; Kaneko, Y.; Kawai, M.; Kishida, I.; Kunieda, S.; Sato, K.; Shimakawa, S.; Shimizu, F.; Hashimoto, S.; Hashimoto, N.; Fukahori, T.; Watanabe, Y.; Xu, Q.; Ishino, S.

2011-07-01

Changes in mechanical property of Ni under irradiation by 3 GeV protons were estimated by multi-scale modeling. The code consisted of four parts. The first part was based on the Particle and Heavy-Ion Transport code System (PHITS) code for nuclear reactions, and modeled the interactions between high energy protons and nuclei in the target. The second part covered atomic collisions by particles without nuclear reactions. Because the energy of the particles was high, subcascade analysis was employed. The direct formation of clusters and the number of mobile defects were estimated using molecular dynamics (MD) and kinetic Monte-Carlo (kMC) methods in each subcascade. The third part considered damage structural evolutions estimated by reaction kinetic analysis. The fourth part involved the estimation of mechanical property change using three-dimensional discrete dislocation dynamics (DDD). Using the above four part code, stress-strain curves for high energy proton irradiated Ni were obtained.

Jet-A reaction mechanism study for combustion application

NASA Technical Reports Server (NTRS)

Lee, Chi-Ming; Kundu, Krishna; Acosta, Waldo

1991-01-01

Simplified chemical kinetic reaction mechanisms for the combustion of Jet A fuel was studied. Initially, 40 reacting species and 118 elementary chemical reactions were chosen based on a literature review. Through a sensitivity analysis with the use of LSENS General Kinetics and Sensitivity Analysis Code, 16 species and 21 elementary chemical reactions were determined from this study. This mechanism is first justified by comparison of calculated ignition delay time with the available shock tube data, then it is validated by comparison of calculated emissions from the plug flow reactor code with in-house flame tube data.

A Consistent System for Coding Laboratory Samples

NASA Astrophysics Data System (ADS)

Sih, John C.

1996-07-01

A formal laboratory coding system is presented to keep track of laboratory samples. Preliminary useful information regarding the sample (origin and history) is gained without consulting a research notebook. Since this system uses and retains the same research notebook page number for each new experiment (reaction), finding and distinguishing products (samples) of the same or different reactions becomes an easy task. Using this system multiple products generated from a single reaction can be identified and classified in a uniform fashion. Samples can be stored and filed according to stage and degree of purification, e.g. crude reaction mixtures, recrystallized samples, chromatographed or distilled products.

Political Culture and the Nature of Political Participation in Egypt.

DTIC Science & Technology

1980-06-01

the committee which included Muhyi al -Din, Sabri, Abd al -Latif al - Baghdadi and Sami Sharaf. Sadat’s first act independent of the committee was his order...military officers, including Baghdadi and Air Force General Madkuri al -Izz, demands were made for Sadat to restore Egypt’s position between the...published in Al -Tali’a, Al -Ahram, and Eyptian Gazette, May-June, 1972. English translations of selected excerpts are contained in FBIS and JPRS. 89

Automatic Processing of Reactive Polymers

NASA Technical Reports Server (NTRS)

Roylance, D.

1985-01-01

A series of process modeling computer codes were examined. The codes use finite element techniques to determine the time-dependent process parameters operative during nonisothermal reactive flows such as can occur in reaction injection molding or composites fabrication. The use of these analytical codes to perform experimental control functions is examined; since the models can determine the state of all variables everywhere in the system, they can be used in a manner similar to currently available experimental probes. A small but well instrumented reaction vessel in which fiber-reinforced plaques are cured using computer control and data acquisition was used. The finite element codes were also extended to treat this particular process.

Combustion chamber analysis code

NASA Technical Reports Server (NTRS)

Przekwas, A. J.; Lai, Y. G.; Krishnan, A.; Avva, R. K.; Giridharan, M. G.

1993-01-01

A three-dimensional, time dependent, Favre averaged, finite volume Navier-Stokes code has been developed to model compressible and incompressible flows (with and without chemical reactions) in liquid rocket engines. The code has a non-staggered formulation with generalized body-fitted-coordinates (BFC) capability. Higher order differencing methodologies such as MUSCL and Osher-Chakravarthy schemes are available. Turbulent flows can be modeled using any of the five turbulent models present in the code. A two-phase, two-liquid, Lagrangian spray model has been incorporated into the code. Chemical equilibrium and finite rate reaction models are available to model chemically reacting flows. The discrete ordinate method is used to model effects of thermal radiation. The code has been validated extensively against benchmark experimental data and has been applied to model flows in several propulsion system components of the SSME and the STME.

Computer model of one-dimensional equilibrium controlled sorption processes

USGS Publications Warehouse

Grove, D.B.; Stollenwerk, K.G.

1984-01-01

A numerical solution to the one-dimensional solute-transport equation with equilibrium-controlled sorption and a first-order irreversible-rate reaction is presented. The computer code is written in FORTRAN language, with a variety of options for input and output for user ease. Sorption reactions include Langmuir, Freundlich, and ion-exchange, with or without equal valance. General equations describing transport and reaction processes are solved by finite-difference methods, with nonlinearities accounted for by iteration. Complete documentation of the code, with examples, is included. (USGS)

SurfKin: an ab initio kinetic code for modeling surface reactions.

PubMed

Le, Thong Nguyen-Minh; Liu, Bin; Huynh, Lam K

2014-10-05

In this article, we describe a C/C++ program called SurfKin (Surface Kinetics) to construct microkinetic mechanisms for modeling gas-surface reactions. Thermodynamic properties of reaction species are estimated based on density functional theory calculations and statistical mechanics. Rate constants for elementary steps (including adsorption, desorption, and chemical reactions on surfaces) are calculated using the classical collision theory and transition state theory. Methane decomposition and water-gas shift reaction on Ni(111) surface were chosen as test cases to validate the code implementations. The good agreement with literature data suggests this is a powerful tool to facilitate the analysis of complex reactions on surfaces, and thus it helps to effectively construct detailed microkinetic mechanisms for such surface reactions. SurfKin also opens a possibility for designing nanoscale model catalysts. Copyright © 2014 Wiley Periodicals, Inc.

Characteristics code for shock initiation

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

Partom, Y.

1986-10-01

We developed SHIN, a characteristics code for shock initiation studies. We describe in detail the equations of state, reaction model, rate equations, and numerical difference equations that SHIN incorporates. SHIN uses the previously developed surface burning reaction model which better represents the shock initiation process in TATB, than do bulk reaction models. A large number of computed simulations prove the code is a reliable and efficient tool for shock initiation studies. A parametric study shows the effect on build-up and run distance to detonation of (1) type of boundary condtion, (2) burning velocity curve, (3) shock duration, (4) rise timemore » in ramp loading, (5) initial density (or porosity) of the explosive, (6) initial temperature, and (7) grain size. 29 refs., 65 figs.« less

A comparison of total reaction cross section models used in particle and heavy ion transport codes

NASA Astrophysics Data System (ADS)

Sihver, Lembit; Lantz, M.; Takechi, M.; Kohama, A.; Ferrari, A.; Cerutti, F.; Sato, T.

To be able to calculate the nucleon-nucleus and nucleus-nucleus total reaction cross sections with precision is very important for studies of basic nuclear properties, e.g. nuclear structure. This is also of importance for particle and heavy ion transport calculations because, in all particle and heavy ion transport codes, the probability function that a projectile particle will collide within a certain distance x in the matter depends on the total reaction cross sections. Furthermore, the total reaction cross sections will also scale the calculated partial fragmentation cross sections. It is therefore crucial that accurate total reaction cross section models are used in the transport calculations. In this paper, different models for calculating nucleon-nucleus and nucleus-nucleus total reaction cross sections are compared and discussed.

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

Uchibori, Akihiro; Kurihara, Akikazu; Ohshima, Hiroyuki

A multiphysics analysis system for sodium-water reaction phenomena in a steam generator of sodium-cooled fast reactors was newly developed. The analysis system consists of the mechanistic numerical analysis codes, SERAPHIM, TACT, and RELAP5. The SERAPHIM code calculates the multicomponent multiphase flow and sodium-water chemical reaction caused by discharging of pressurized water vapor. Applicability of the SERAPHIM code was confirmed through the analyses of the experiment on water vapor discharging in liquid sodium. The TACT code was developed to calculate heat transfer from the reacting jet to the adjacent tube and to predict the tube failure occurrence. The numerical models integratedmore » into the TACT code were verified through some related experiments. The RELAP5 code evaluates thermal hydraulic behavior of water inside the tube. The original heat transfer correlations were corrected for the tube rapidly heated by the reacting jet. The developed system enables evaluation of the wastage environment and the possibility of the failure propagation.« less

A reaction-diffusion-based coding rate control mechanism for camera sensor networks.

PubMed

Yamamoto, Hiroshi; Hyodo, Katsuya; Wakamiya, Naoki; Murata, Masayuki

2010-01-01

A wireless camera sensor network is useful for surveillance and monitoring for its visibility and easy deployment. However, it suffers from the limited capacity of wireless communication and a network is easily overflown with a considerable amount of video traffic. In this paper, we propose an autonomous video coding rate control mechanism where each camera sensor node can autonomously determine its coding rate in accordance with the location and velocity of target objects. For this purpose, we adopted a biological model, i.e., reaction-diffusion model, inspired by the similarity of biological spatial patterns and the spatial distribution of video coding rate. Through simulation and practical experiments, we verify the effectiveness of our proposal.

Kinetic modelling of the oxidation of large aliphatic hydrocarbons using an automatic mechanism generation.

PubMed

Muharam, Yuswan; Warnatz, Jürgen

2007-08-21

A mechanism generator code to automatically generate mechanisms for the oxidation of large hydrocarbons has been successfully modified and considerably expanded in this work. The modification was through (1) improvement of the existing rules such as cyclic-ether reactions and aldehyde reactions, (2) inclusion of some additional rules to the code, such as ketone reactions, hydroperoxy cyclic-ether formations and additional reactions of alkenes, (3) inclusion of small oxygenates, produced by the code but not included in the handwritten C(1)-C(4) sub-mechanism yet, to the handwritten C(1)-C(4) sub-mechanism. In order to evaluate mechanisms generated by the code, simulations of observed results in different experimental environments have been carried out. Experimentally derived and numerically predicted ignition delays of n-heptane-air and n-decane-air mixtures in high-pressure shock tubes in a wide range of temperatures, pressures and equivalence ratios agree very well. Concentration profiles of the main products and intermediates of n-heptane and n-decane oxidation in jet-stirred reactors at a wide range of temperatures and equivalence ratios are generally well reproduced. In addition, the ignition delay times of different normal alkanes was numerically studied.

Reaction path of energetic materials using THOR code

NASA Astrophysics Data System (ADS)

Duraes, L.; Campos, J.; Portugal, A.

1997-07-01

The method of predicting reaction path, using a thermochemical computer code, named THOR, allows for isobar and isochor adiabatic combustion and CJ detonation regimes, the calculation of the composition and thermodynamic properties of reaction products of energetic materials. THOR code assumes the thermodynamic equilibria of all possible products, for the minimum Gibbs free energy, using a thermal equation of state (EoS). The used HL EoS is a new EoS developed in previous works. HL EoS is supported by a Boltzmann EoS, taking α =13.5 to the exponent of the intermolecular potential and θ=1.4 to the adimensional temperature. This code allows now the possibility of estimating various sets of reaction products, obtained successively by the decomposition of the original reacting compound, as a function of the released energy. Two case studies of thermal decomposition procedure were selected, described, calculated and discussed - Ammonium Nitrate based explosives and Nitromethane - because they are very known explosives and their equivalence ratio is respectively near and greater than the stoicheiometry. Predictions of detonation properties of other condensed explosives, as a function of energy release, present results in good correlation with experimental values.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

NASA Technical Reports Server (NTRS)

Bittker, David A.; Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Multiplexed Detection of Cytokines Based on Dual Bar-Code Strategy and Single-Molecule Counting.

PubMed

Li, Wei; Jiang, Wei; Dai, Shuang; Wang, Lei

2016-02-02

Cytokines play important roles in the immune system and have been regarded as biomarkers. While single cytokine is not specific and accurate enough to meet the strict diagnosis in practice, in this work, we constructed a multiplexed detection method for cytokines based on dual bar-code strategy and single-molecule counting. Taking interferon-γ (IFN-γ) and tumor necrosis factor-α (TNF-α) as model analytes, first, the magnetic nanobead was functionalized with the second antibody and primary bar-code strands, forming a magnetic nanoprobe. Then, through the specific reaction of the second antibody and the antigen that fixed by the primary antibody, sandwich-type immunocomplex was formed on the substrate. Next, the primary bar-code strands as amplification units triggered multibranched hybridization chain reaction (mHCR), producing nicked double-stranded polymers with multiple branched arms, which were served as secondary bar-code strands. Finally, the secondary bar-code strands hybridized with the multimolecule labeled fluorescence probes, generating enhanced fluorescence signals. The numbers of fluorescence dots were counted one by one for quantification with epi-fluorescence microscope. By integrating the primary and secondary bar-code-based amplification strategy and the multimolecule labeled fluorescence probes, this method displayed an excellent sensitivity with the detection limits were both 5 fM. Unlike the typical bar-code assay that the bar-code strands should be released and identified on a microarray, this method is more direct. Moreover, because of the selective immune reaction and the dual bar-code mechanism, the resulting method could detect the two targets simultaneously. Multiple analysis in human serum was also performed, suggesting that our strategy was reliable and had a great potential application in early clinical diagnosis.

LSENS, a general chemical kinetics and sensitivity analysis code for homogeneous gas-phase reactions. 2: Code description and usage

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1994-01-01

LSENS, the Lewis General Chemical Kinetics Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 2 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 2 describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part 1 (NASA RP-1328) derives the governing equations describes the numerical solution procedures for the types of problems that can be solved by lSENS. Part 3 (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

EMPIRE: Nuclear Reaction Model Code System for Data Evaluation

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

Herman, M.; Capote, R.; Carlson, B.V.

EMPIRE is a modular system of nuclear reaction codes, comprising various nuclear models, and designed for calculations over a broad range of energies and incident particles. A projectile can be a neutron, proton, any ion (including heavy-ions) or a photon. The energy range extends from the beginning of the unresolved resonance region for neutron-induced reactions ({approx} keV) and goes up to several hundred MeV for heavy-ion induced reactions. The code accounts for the major nuclear reaction mechanisms, including direct, pre-equilibrium and compound nucleus ones. Direct reactions are described by a generalized optical model (ECIS03) or by the simplified coupled-channels approachmore » (CCFUS). The pre-equilibrium mechanism can be treated by a deformation dependent multi-step direct (ORION + TRISTAN) model, by a NVWY multi-step compound one or by either a pre-equilibrium exciton model with cluster emission (PCROSS) or by another with full angular momentum coupling (DEGAS). Finally, the compound nucleus decay is described by the full featured Hauser-Feshbach model with {gamma}-cascade and width-fluctuations. Advanced treatment of the fission channel takes into account transmission through a multiple-humped fission barrier with absorption in the wells. The fission probability is derived in the WKB approximation within the optical model of fission. Several options for nuclear level densities include the EMPIRE-specific approach, which accounts for the effects of the dynamic deformation of a fast rotating nucleus, the classical Gilbert-Cameron approach and pre-calculated tables obtained with a microscopic model based on HFB single-particle level schemes with collective enhancement. A comprehensive library of input parameters covers nuclear masses, optical model parameters, ground state deformations, discrete levels and decay schemes, level densities, fission barriers, moments of inertia and {gamma}-ray strength functions. The results can be converted into ENDF-6 formatted files using the accompanying code EMPEND and completed with neutron resonances extracted from the existing evaluations. The package contains the full EXFOR (CSISRS) library of experimental reaction data that are automatically retrieved during the calculations. Publication quality graphs can be obtained using the powerful and flexible plotting package ZVView. The graphic user interface, written in Tcl/Tk, provides for easy operation of the system. This paper describes the capabilities of the code, outlines physical models and indicates parameter libraries used by EMPIRE to predict reaction cross sections and spectra, mainly for nucleon-induced reactions. Selected applications of EMPIRE are discussed, the most important being an extensive use of the code in evaluations of neutron reactions for the new US library ENDF/B-VII.0. Future extensions of the system are outlined, including neutron resonance module as well as capabilities of generating covariances, using both KALMAN and Monte-Carlo methods, that are still being advanced and refined.« less

Clinical coding of prospectively identified paediatric adverse drug reactions--a retrospective review of patient records.

PubMed

Bellis, Jennifer R; Kirkham, Jamie J; Nunn, Anthony J; Pirmohamed, Munir

2014-12-17

National Health Service (NHS) hospitals in the UK use a system of coding for patient episodes. The coding system used is the International Classification of Disease (ICD-10). There are ICD-10 codes which may be associated with adverse drug reactions (ADRs) and there is a possibility of using these codes for ADR surveillance. This study aimed to determine whether ADRs prospectively identified in children admitted to a paediatric hospital were coded appropriately using ICD-10. The electronic admission abstract for each patient with at least one ADR was reviewed. A record was made of whether the ADR(s) had been coded using ICD-10. Of 241 ADRs, 76 (31.5%) were coded using at least one ICD-10 ADR code. Of the oncology ADRs, 70/115 (61%) were coded using an ICD-10 ADR code compared with 6/126 (4.8%) non-oncology ADRs (difference in proportions 56%, 95% CI 46.2% to 65.8%; p < 0.001). The majority of ADRs detected in a prospective study at a paediatric centre would not have been identified if the study had relied on ICD-10 codes as a single means of detection. Data derived from administrative healthcare databases are not reliable for identifying ADRs by themselves, but may complement other methods of detection.

Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

NASA Astrophysics Data System (ADS)

Cui, Z.; Welty, C.; Maxwell, R. M.

2011-12-01

Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in addition to a discussion of implementation challenges.

A generalized chemistry version of SPARK

NASA Technical Reports Server (NTRS)

Carpenter, Mark H.

1988-01-01

An extension of the reacting H2-air computer code SPARK is presented, which enables the code to be used on any reacting flow problem. Routines are developed calculating in a general fashion, the reaction rates, and chemical Jacobians of any reacting system. In addition, an equilibrium routine is added so that the code will have frozen, finite rate, and equilibrium capabilities. The reaction rate for the species is determined from the law of mass action using Arrhenius expressions for the rate constants. The Jacobian routines are determined by numerically or analytically differentiating the law of mass action for each species. The equilibrium routine is based on a Gibbs free energy minimization routine. The routines are written in FORTRAN 77, with special consideration given to vectorization. Run times for the generalized routines are generally 20 percent slower than reaction specific routines. The numerical efficiency of the generalized analytical Jacobian, however, is nearly 300 percent better than the reaction specific numerical Jacobian used in SPARK.

Visualized kinematics code for two-body nuclear reactions

NASA Astrophysics Data System (ADS)

Lee, E. J.; Chae, K. Y.

2016-05-01

The one or few nucleon transfer reaction has been a great tool for investigating the single-particle properties of a nucleus. Both stable and exotic beams are utilized to study transfer reactions in normal and inverse kinematics, respectively. Because many energy levels of the heavy recoil from the two-body nuclear reaction can be populated by using a single beam energy, identifying each populated state, which is not often trivial owing to high level-density of the nucleus, is essential. For identification of the energy levels, a visualized kinematics code called VISKIN has been developed by utilizing the Java programming language. The development procedure, usage, and application of the VISKIN is reported.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 1 of a series of three reference publications that describe LENS, provide a detailed guide to its usage, and present many example problems. Part 1 derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved. The accuracy and efficiency of LSENS are examined by means of various test problems, and comparisons with other methods and codes are presented. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

LSENS, A General Chemical Kinetics and Sensitivity Analysis Code for Homogeneous Gas-Phase Reactions. Part 2; Code Description and Usage

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part II of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part II describes the code, how to modify it, and its usage, including preparation of the problem data file required to execute LSENS. Code usage is illustrated by several example problems, which further explain preparation of the problem data file and show how to obtain desired accuracy in the computed results. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions. Part I (NASA RP-1328) derives the governing equations and describes the numerical solution procedures for the types of problems that can be solved by LSENS. Part III (NASA RP-1330) explains the kinetics and kinetics-plus-sensitivity-analysis problems supplied with LSENS and presents sample results.

Finite element code development for modeling detonation of HMX composites

NASA Astrophysics Data System (ADS)

Duran, Adam V.; Sundararaghavan, Veera

2017-01-01

In this work, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for SOD shock and ZND strong detonation models. Benchmark problems are presented for geometries in which a single HMX crystal is subjected to a shock condition.

Spallation reactions: A successful interplay between modeling and applications

NASA Astrophysics Data System (ADS)

David, J.-C.

2015-06-01

The spallation reactions are a type of nuclear reaction which occur in space by interaction of the cosmic rays with interstellar bodies. The first spallation reactions induced with an accelerator took place in 1947 at the Berkeley cyclotron (University of California) with 200MeV deuterons and 400MeV alpha beams. They highlighted the multiple emission of neutrons and charged particles and the production of a large number of residual nuclei far different from the target nuclei. In the same year, R. Serber described the reaction in two steps: a first and fast one with high-energy particle emission leading to an excited remnant nucleus, and a second one, much slower, the de-excitation of the remnant. In 2010 IAEA organized a workshop to present the results of the most widely used spallation codes within a benchmark of spallation models. If one of the goals was to understand the deficiencies, if any, in each code, one remarkable outcome points out the overall high-quality level of some models and so the great improvements achieved since Serber. Particle transport codes can then rely on such spallation models to treat the reactions between a light particle and an atomic nucleus with energies spanning from few tens of MeV up to some GeV. An overview of the spallation reactions modeling is presented in order to point out the incomparable contribution of models based on basic physics to numerous applications where such reactions occur. Validations or benchmarks, which are necessary steps in the improvement process, are also addressed, as well as the potential future domains of development. Spallation reactions modeling is a representative case of continuous studies aiming at understanding a reaction mechanism and which end up in a powerful tool.

KEWPIE2: A cascade code for the study of dynamical decay of excited nuclei

NASA Astrophysics Data System (ADS)

Lü, Hongliang; Marchix, Anthony; Abe, Yasuhisa; Boilley, David

2016-03-01

KEWPIE-a cascade code devoted to investigating the dynamical decay of excited nuclei, specially designed for treating very low probability events related to the synthesis of super-heavy nuclei formed in fusion-evaporation reactions-has been improved and rewritten in C++ programming language to become KEWPIE2. The current version of the code comprises various nuclear models concerning the light-particle emission, fission process and statistical properties of excited nuclei. General features of the code, such as the numerical scheme and the main physical ingredients, are described in detail. Some typical calculations having been performed in the present paper clearly show that theoretical predictions are generally in accordance with experimental data. Furthermore, since the values of some input parameters cannot be determined neither theoretically nor experimentally, a sensibility analysis is presented. To this end, we systematically investigate the effects of using different parameter values and reaction models on the final results. As expected, in the case of heavy nuclei, the fission process has the most crucial role to play in theoretical predictions. This work would be essential for numerical modeling of fusion-evaporation reactions.

Reduced Equations for Calculating the Combustion Rates of Jet-A and Methane Fuel

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2003-01-01

Simplified kinetic schemes for Jet-A and methane fuels were developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) that is being developed at Glenn. These kinetic schemes presented here result in a correlation that gives the chemical kinetic time as a function of initial overall cell fuel/air ratio, pressure, and temperature. The correlations would then be used with the turbulent mixing times to determine the limiting properties and progress of the reaction. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentration of carbon monoxide as a function of fuel air ratio, pressure, and temperature. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates and the values obtained from the equilibrium correlations were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide, and NOx were obtained for both Jet-A fuel and methane.

Transfer reaction code with nonlocal interactions

DOE PAGES

Titus, L. J.; Ross, A.; Nunes, F. M.

2016-07-14

We present a suite of codes (NLAT for nonlocal adiabatic transfer) to calculate the transfer cross section for single-nucleon transfer reactions, (d,N)(d,N) or (N,d)(N,d), including nonlocal nucleon–target interactions, within the adiabatic distorted wave approximation. For this purpose, we implement an iterative method for solving the second order nonlocal differential equation, for both scattering and bound states. The final observables that can be obtained with NLAT are differential angular distributions for the cross sections of A(d,N)BA(d,N)B or B(N,d)AB(N,d)A. Details on the implementation of the TT-matrix to obtain the final cross sections within the adiabatic distorted wave approximation method are also provided.more » This code is suitable to be applied for deuteron induced reactions in the range of View the MathML sourceEd=10–70MeV, and provides cross sections with 4% accuracy.« less

Exploring Ultrahigh-Intensity Laser-Plasma Interaction Physics with QED Particle-in-Cell Simulations

NASA Astrophysics Data System (ADS)

Luedtke, S. V.; Yin, L.; Labun, L. A.; Albright, B. J.; Stark, D. J.; Bird, R. F.; Nystrom, W. D.; Hegelich, B. M.

2017-10-01

Next generation high-intensity lasers are reaching intensity regimes where new physics-quantum electrodynamics (QED) corrections to otherwise classical plasma dynamics-becomes important. Modeling laser-plasma interactions in these extreme settings presents a challenge to traditional particle-in-cell (PIC) codes, which either do not have radiation reaction or include only classical radiation reaction. We discuss a semi-classical approach to adding quantum radiation reaction and photon production to the PIC code VPIC. We explore these intensity regimes with VPIC, compare with results from the PIC code PSC, and report on ongoing work to expand the capability of VPIC in these regimes. This work was supported by the U.S. DOE, Los Alamos National Laboratory Science program, LDRD program, NNSA (DE-NA0002008), and AFOSR (FA9550-14-1-0045). HPC resources provided by TACC, XSEDE, and LANL Institutional Computing.

Color coding of control room displays: the psychocartography of visual layering effects.

PubMed

Van Laar, Darren; Deshe, Ofer

2007-06-01

To evaluate which of three color coding methods (monochrome, maximally discriminable, and visual layering) used to code four types of control room display format (bars, tables, trend, mimic) was superior in two classes of task (search, compare). It has recently been shown that color coding of visual layers, as used in cartography, may be used to color code any type of information display, but this has yet to be fully evaluated. Twenty-four people took part in a 2 (task) x 3 (coding method) x 4 (format) wholly repeated measures design. The dependent variables assessed were target location reaction time, error rates, workload, and subjective feedback. Overall, the visual layers coding method produced significantly faster reaction times than did the maximally discriminable and the monochrome methods for both the search and compare tasks. No significant difference in errors was observed between conditions for either task type. Significantly less perceived workload was experienced with the visual layers coding method, which was also rated more highly than the other coding methods on a 14-item visual display quality questionnaire. The visual layers coding method is superior to other color coding methods for control room displays when the method supports the user's task. The visual layers color coding method has wide applicability to the design of all complex information displays utilizing color coding, from the most maplike (e.g., air traffic control) to the most abstract (e.g., abstracted ecological display).

CSEWG

Science.gov Websites

Nuclear Data Evaluation Co-operation (WPEC) Nuclear Reaction Data Centers, NRDC (IAEA Vienna) EMPIRE , Nuclear Reaction Model Code Atlas of Neutron Resonances The Cross Section Evaluation Working Group (CSEWG

Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

NASA Technical Reports Server (NTRS)

Plante, Ianik; Cucinotta, Francis A.

2011-01-01

Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

A systematic review of validated methods for identifying hypersensitivity reactions other than anaphylaxis (fever, rash, and lymphadenopathy), using administrative and claims data.

PubMed

Schneider, Gary; Kachroo, Sumesh; Jones, Natalie; Crean, Sheila; Rotella, Philip; Avetisyan, Ruzan; Reynolds, Matthew W

2012-01-01

The Food and Drug Administration's Mini-Sentinel pilot program aims to conduct active surveillance to refine safety signals that emerge for marketed medical products. A key facet of this surveillance is to develop and understand the validity of algorithms for identifying health outcomes of interest from administrative and claims data. This article summarizes the process and findings of the algorithm review of hypersensitivity reactions. PubMed and Iowa Drug Information Service searches were conducted to identify citations applicable to the hypersensitivity reactions of health outcomes of interest. Level 1 abstract reviews and Level 2 full-text reviews were conducted to find articles using administrative and claims data to identify hypersensitivity reactions and including validation estimates of the coding algorithms. We identified five studies that provided validated hypersensitivity-reaction algorithms. Algorithm positive predictive values (PPVs) for various definitions of hypersensitivity reactions ranged from 3% to 95%. PPVs were high (i.e. 90%-95%) when both exposures and diagnoses were very specific. PPV generally decreased when the definition of hypersensitivity was expanded, except in one study that used data mining methodology for algorithm development. The ability of coding algorithms to identify hypersensitivity reactions varied, with decreasing performance occurring with expanded outcome definitions. This examination of hypersensitivity-reaction coding algorithms provides an example of surveillance bias resulting from outcome definitions that include mild cases. Data mining may provide tools for algorithm development for hypersensitivity and other health outcomes. Research needs to be conducted on designing validation studies to test hypersensitivity-reaction algorithms and estimating their predictive power, sensitivity, and specificity. Copyright © 2012 John Wiley & Sons, Ltd.

Versatile fusion source integrator AFSI for fast ion and neutron studies in fusion devices

NASA Astrophysics Data System (ADS)

Sirén, Paula; Varje, Jari; Äkäslompolo, Simppa; Asunta, Otto; Giroud, Carine; Kurki-Suonio, Taina; Weisen, Henri; JET Contributors, The

2018-01-01

ASCOT Fusion Source Integrator AFSI, an efficient tool for calculating fusion reaction rates and characterizing the fusion products, based on arbitrary reactant distributions, has been developed and is reported in this paper. Calculation of reactor-relevant D-D, D-T and D-3He fusion reactions has been implemented based on the Bosch-Hale fusion cross sections. The reactions can be calculated between arbitrary particle populations, including Maxwellian thermal particles and minority energetic particles. Reaction rate profiles, energy spectra and full 4D phase space distributions can be calculated for the non-isotropic reaction products. The code is especially suitable for integrated modelling in self-consistent plasma physics simulations as well as in the Serpent neutronics calculation chain. Validation of the model has been performed for neutron measurements at the JET tokamak and the code has been applied to predictive simulations in ITER.

A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions

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

Warehime, Mick; Alexander, Millard H., E-mail: mha@umd.edu

We restate the application of the finite element method to collinear triatomic reactive scattering dynamics with a novel treatment of the scattering boundary conditions. The method provides directly the reactive scattering wave function and, subsequently, the probability current density field. Visualizing these quantities provides additional insight into the quantum dynamics of simple chemical reactions beyond simplistic one-dimensional models. Application is made here to a symmetric reaction (H+H{sub 2}), a heavy-light-light reaction (F+H{sub 2}), and a heavy-light-heavy reaction (F+HCl). To accompany this article, we have written a MATLAB code which is fast, simple enough to be accessible to a wide audience,more » as well as generally applicable to any problem that can be mapped onto a collinear atom-diatom reaction. The code and user's manual are available for download from http://www2.chem.umd.edu/groups/alexander/FEM.« less

Analysis of reaction cross-section production in neutron induced fission reactions on uranium isotope using computer code COMPLET.

PubMed

Asres, Yihunie Hibstie; Mathuthu, Manny; Birhane, Marelgn Derso

2018-04-22

This study provides current evidence about cross-section production processes in the theoretical and experimental results of neutron induced reaction of uranium isotope on projectile energy range of 1-100 MeV in order to improve the reliability of nuclear stimulation. In such fission reactions of 235 U within nuclear reactors, much amount of energy would be released as a product that able to satisfy the needs of energy to the world wide without polluting processes as compared to other sources. The main objective of this work is to transform a related knowledge in the neutron-induced fission reactions on 235 U through describing, analyzing and interpreting the theoretical results of the cross sections obtained from computer code COMPLET by comparing with the experimental data obtained from EXFOR. The cross section value of 235 U(n,2n) 234 U, 235 U(n,3n) 233 U, 235 U(n,γ) 236 U, 235 U(n,f) are obtained using computer code COMPLET and the corresponding experimental values were browsed by EXFOR, IAEA. The theoretical results are compared with the experimental data taken from EXFOR Data Bank. Computer code COMPLET has been used for the analysis with the same set of input parameters and the graphs were plotted by the help of spreadsheet & Origin-8 software. The quantification of uncertainties stemming from both experimental data and computer code calculation plays a significant role in the final evaluated results. The calculated results for total cross sections were compared with the experimental data taken from EXFOR in the literature, and good agreement was found between the experimental and theoretical data. This comparison of the calculated data was analyzed and interpreted with tabulation and graphical descriptions, and the results were briefly discussed within the text of this research work. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK

PubMed Central

2014-01-01

Background Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system’s set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This “code-based” approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. Results As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. Conclusions The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming skills, and the graphical interface lends itself to easy modification and use by non-experts. PMID:24725437

Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK.

PubMed

Wang, Kaier; Steyn-Ross, Moira L; Steyn-Ross, D Alistair; Wilson, Marcus T; Sleigh, Jamie W; Shiraishi, Yoichi

2014-04-11

Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system's set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This "code-based" approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming skills, and the graphical interface lends itself to easy modification and use by non-experts.

Application of the DART Code for the Assessment of Advanced Fuel Behavior

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

Rest, J.; Totev, T.

2007-07-01

The Dispersion Analysis Research Tool (DART) code is a dispersion fuel analysis code that contains mechanistically-based fuel and reaction-product swelling models, a one dimensional heat transfer analysis, and mechanical deformation models. DART has been used to simulate the irradiation behavior of uranium oxide, uranium silicide, and uranium molybdenum aluminum dispersion fuels, as well as their monolithic counterparts. The thermal-mechanical DART code has been validated against RERTR tests performed in the ATR for irradiation data on interaction thickness, fuel, matrix, and reaction product volume fractions, and plate thickness changes. The DART fission gas behavior model has been validated against UO{sub 2}more » fission gas release data as well as measured fission gas-bubble size distributions. Here DART is utilized to analyze various aspects of the observed bubble growth in U-Mo/Al interaction product. (authors)« less

Total reaction cross sections in CEM and MCNP6 at intermediate energies

DOE PAGES

Kerby, Leslie M.; Mashnik, Stepan G.

2015-05-14

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used inmore » the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.« less

Total reaction cross sections in CEM and MCNP6 at intermediate energies

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

Kerby, Leslie M.; Mashnik, Stepan G.

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used inmore » the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.« less

Mass transfer effects in a gasification riser

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

Breault, Ronald W.; Li, Tingwen; Nicoletti, Phillip

2013-07-01

In the development of multiphase reacting computational fluid dynamics (CFD) codes, a number of simplifications were incorporated into the codes and models. One of these simplifications was the use of a simplistic mass transfer correlation for the faster reactions and omission of mass transfer effects completely on the moderate speed and slow speed reactions such as those in a fluidized bed gasifier. Another problem that has propagated is that the mass transfer correlation used in the codes is not universal and is being used far from its developed bubbling fluidized bed regime when applied to circulating fluidized bed (CFB) risermore » reactors. These problems are true for the major CFD codes. To alleviate this problem, a mechanistic based mass transfer coefficient algorithm has been developed based upon an earlier work by Breault et al. This fundamental approach uses the local hydrodynamics to predict a local, time varying mass transfer coefficient. The predicted mass transfer coefficients and the corresponding Sherwood numbers agree well with literature data and are typically about an order of magnitude lower than the correlation noted above. The incorporation of the new mass transfer model gives the expected behavior for all the gasification reactions evaluated in the paper. At the expected and typical design values for the solid flow rate in a CFB riser gasifier an ANOVA analysis has shown the predictions from the new code to be significantly different from the original code predictions. The new algorithm should be used such that the conversions are not over predicted. Additionally, its behaviors with changes in solid flow rate are consistent with the changes in the hydrodynamics.« less

Detonation Velocity Calculations of Explosives with Slowly-Burning Constituents

NASA Astrophysics Data System (ADS)

Howard, W. Michael; Souers, P. Clark; Fried, Laurence E.

1997-07-01

The thermochemical code Equilbrium CHEETAH has been modified to allow partial reaction of constituents and partial flow of heat. Solid or liquid reactants are described by Einstein oscillators, whose temperatures can be changed to allow heat transfer. Hydroxy-terminated-poly-budadiene, mixed with RDX or HMX, does not react, as shown by the effect on the calculated detonation velocity. Aluminum and ammonium perchlorate in composites also do not react. Only partial heat flow also takes place in the unreacted materials. These results show that the usual assumption of total burn in a thermochemical code is probably incorrect, at least in the sonic reaction zone that drives the detonation velocity. A kinetic code would be the logical extension of this work.

Production of energetic light fragments in extensions of the CEM and LAQGSM event generators of the Monte Carlo transport code MCNP6 [Production of energetic light fragments in CEM, LAQGSM, and MCNP6

DOE PAGES

Mashnik, Stepan Georgievich; Kerby, Leslie Marie; Gudima, Konstantin K.; ...

2017-03-23

We extend the cascade-exciton model (CEM), and the Los Alamos version of the quark-gluon string model (LAQGSM), event generators of the Monte Carlo N-particle transport code version 6 (MCNP6), to describe production of energetic light fragments (LF) heavier than 4He from various nuclear reactions induced by particles and nuclei at energies up to about 1 TeV/nucleon. In these models, energetic LF can be produced via Fermi breakup, preequilibrium emission, and coalescence of cascade particles. Initially, we study several variations of the Fermi breakup model and choose the best option for these models. Then, we extend the modified exciton model (MEM)more » used by these codes to account for a possibility of multiple emission of up to 66 types of particles and LF (up to 28Mg) at the preequilibrium stage of reactions. Then, we expand the coalescence model to allow coalescence of LF from nucleons emitted at the intranuclear cascade stage of reactions and from lighter clusters, up to fragments with mass numbers A ≤ 7, in the case of CEM, and A ≤ 12, in the case of LAQGSM. Next, we modify MCNP6 to allow calculating and outputting spectra of LF and heavier products with arbitrary mass and charge numbers. The improved version of CEM is implemented into MCNP6. Lastly, we test the improved versions of CEM, LAQGSM, and MCNP6 on a variety of measured nuclear reactions. The modified codes give an improved description of energetic LF from particle- and nucleus-induced reactions; showing a good agreement with a variety of available experimental data. They have an improved predictive power compared to the previous versions and can be used as reliable tools in simulating applications involving such types of reactions.« less

Production of energetic light fragments in extensions of the CEM and LAQGSM event generators of the Monte Carlo transport code MCNP6 [Production of energetic light fragments in CEM, LAQGSM, and MCNP6

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

Mashnik, Stepan Georgievich; Kerby, Leslie Marie; Gudima, Konstantin K.

We extend the cascade-exciton model (CEM), and the Los Alamos version of the quark-gluon string model (LAQGSM), event generators of the Monte Carlo N-particle transport code version 6 (MCNP6), to describe production of energetic light fragments (LF) heavier than 4He from various nuclear reactions induced by particles and nuclei at energies up to about 1 TeV/nucleon. In these models, energetic LF can be produced via Fermi breakup, preequilibrium emission, and coalescence of cascade particles. Initially, we study several variations of the Fermi breakup model and choose the best option for these models. Then, we extend the modified exciton model (MEM)more » used by these codes to account for a possibility of multiple emission of up to 66 types of particles and LF (up to 28Mg) at the preequilibrium stage of reactions. Then, we expand the coalescence model to allow coalescence of LF from nucleons emitted at the intranuclear cascade stage of reactions and from lighter clusters, up to fragments with mass numbers A ≤ 7, in the case of CEM, and A ≤ 12, in the case of LAQGSM. Next, we modify MCNP6 to allow calculating and outputting spectra of LF and heavier products with arbitrary mass and charge numbers. The improved version of CEM is implemented into MCNP6. Lastly, we test the improved versions of CEM, LAQGSM, and MCNP6 on a variety of measured nuclear reactions. The modified codes give an improved description of energetic LF from particle- and nucleus-induced reactions; showing a good agreement with a variety of available experimental data. They have an improved predictive power compared to the previous versions and can be used as reliable tools in simulating applications involving such types of reactions.« less

Photoneutron Reaction Data for Nuclear Physics and Astrophysics

NASA Astrophysics Data System (ADS)

Utsunomiya, Hiroaki; Renstrøm, Therese; Tveten, Gry Merete; Gheorghe, Ioana; Filipescu, Dan Mihai; Belyshev, Sergey; Stopani, Konstantin; Wang, Hongwei; Fan, Gongtao; Lui, Yiu-Wing; Symochko, Dmytro; Goriely, Stephane; Larsen, Ann-Cecilie; Siem, Sunniva; Varlamov, Vladimir; Ishkhanov, Boris; Glodariu, Tudor; Krzysiek, Mateusz; Takenaka, Daiki; Ari-izumi, Takashi; Amano, Sho; Miyamoto, Shuji

2018-05-01

We discuss the role of photoneutron reaction data in nuclear physics and astrophysics in conjunction with the Coordinated Research Project of the International Atomic Energy Agency with the code F41032 (IAEA-CRP F41032).

Finite element code development for modeling detonation of HMX composites

NASA Astrophysics Data System (ADS)

Duran, Adam; Sundararaghavan, Veera

2015-06-01

In this talk, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for sod shock and ZND strong detonation models and then used to perform 2D and 3D shock simulations. We will present benchmark problems for geometries in which a single HMX crystal is subjected to a shock condition. Our current progress towards developing microstructural models of HMX/binder composite will also be discussed.

Dual neutral particle induced transmutation in CINDER2008

NASA Astrophysics Data System (ADS)

Martin, W. J.; de Oliveira, C. R. E.; Hecht, A. A.

2014-12-01

Although nuclear transmutation methods for fission have existed for decades, the focus has been on neutron-induced reactions. Recent novel concepts have sought to use both neutrons and photons for purposes such as active interrogation of cargo to detect the smuggling of highly enriched uranium, a concept that would require modeling the transmutation caused by both incident particles. As photonuclear transmutation has yet to be modeled alongside neutron-induced transmutation in a production code, new methods need to be developed. The CINDER2008 nuclear transmutation code from Los Alamos National Laboratory is extended from neutron applications to dual neutral particle applications, allowing both neutron- and photon-induced reactions for this modeling with a focus on fission. Following standard reaction modeling, the induced fission reaction is understood as a two-part reaction, with an entrance channel to the excited compound nucleus, and an exit channel from the excited compound nucleus to the fission fragmentation. Because photofission yield data-the exit channel from the compound nucleus-are sparse, neutron fission yield data are used in this work. With a different compound nucleus and excitation, the translation to the excited compound state is modified, as appropriate. A verification and validation of these methods and data has been performed. This has shown that the translation of neutron-induced fission product yield sets, and their use in photonuclear applications, is appropriate, and that the code has been extended correctly.

Resident Reactions to Person-Centered Communication by Long-Term Care Staff.

PubMed

Savundranayagam, Marie Y; Sibalija, Jovana; Scotchmer, Emma

2016-09-01

Long-term care staff caregivers who are person centered incorporate the life history, preferences, and feelings of residents with dementia during care interactions. Communication is essential for person-centered care. However, little is known about residents' verbal reactions when staff use person-centered communication. Accordingly, this study investigated the impact of person-centered communication and missed opportunities for such communication by staff on resident reactions. Conversations (N = 46) between staff-resident dyads were audio-recorded during routine care tasks over 12 weeks. Staff utterances were coded for person-centered communication and missed opportunities. Resident utterances were coded for positive reactions, such as cooperation, and negative reactions, such as distress. Linear regression analyses revealed that the more staff used person-centered communication, the more likely that residents reacted positively. Additionally, the more missed opportunities in a conversation, the more likely that the residents reacted negatively. Conversation illustrations elaborate on the quantitative findings and implications for staff training are discussed. © The Author(s) 2016.

Cross section of the 197Au(n,2n)196Au reaction

NASA Astrophysics Data System (ADS)

Kalamara, A.; Vlastou, R.; Kokkoris, M.; Diakaki, M.; Serris, M.; Patronis, N.; Axiotis, M.; Lagoyannis, A.

2017-09-01

The 197Au(n,2n)196Au reaction cross section has been measured at two energies, namely at 17.1 MeV and 20.9 MeV, by means of the activation technique, relative to the 27Al(n,α)24Na reference reaction cross section. Quasi-monoenergetic neutron beams were produced at the 5.5 MV Tandem T11/25 accelerator laboratory of NCSR "Demokritos", by means of the 3H(d,n)4He reaction, implementing a new Ti-tritiated target of ˜ 400 GBq activity. The induced γ-ray activity at the targets and reference foils has been measured with HPGe detectors. The cross section for the population of the second isomeric (12-) state m2 of 196Au was independently determined. Auxiliary Monte Carlo simulations were performed using the MCNP code. The present results are in agreement with previous experimental data and with theoretical calculations of the measured reaction cross sections, which were carried out with the use of the EMPIRE code.

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers

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

Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors permore » realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.« less

Probing Trapped Ion Energies Via Ion-Molecule Reaction Kinetics: Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

DTIC Science & Technology

1992-05-28

ORGANIZATION (if applicable) Office of Naval Research N00014-87- j - 1248 Bc. ADDRESS (City, State, and ZIP Code) 10. SOURCE OF FUNDING NUMBERS 800 N. Quincy St...RESEARCH Grant NOOO14-87- J -1248 R & T Code 4134052 TECHNICAL REPORT NO. 36 Probing Trapped Ion Energies Via Ion-Molecule Reaction Kinetics: Fourier...reactivity (for charge transfer with N2) of the higher energy J =1/2 state is approximately three times that of the J =3/2 state at collision energies

A Graphical User Interface for a Method to Infer Kinetics and Network Architecture (MIKANA)

PubMed Central

Mourão, Márcio A.; Srividhya, Jeyaraman; McSharry, Patrick E.; Crampin, Edmund J.; Schnell, Santiago

2011-01-01

One of the main challenges in the biomedical sciences is the determination of reaction mechanisms that constitute a biochemical pathway. During the last decades, advances have been made in building complex diagrams showing the static interactions of proteins. The challenge for systems biologists is to build realistic models of the dynamical behavior of reactants, intermediates and products. For this purpose, several methods have been recently proposed to deduce the reaction mechanisms or to estimate the kinetic parameters of the elementary reactions that constitute the pathway. One such method is MIKANA: Method to Infer Kinetics And Network Architecture. MIKANA is a computational method to infer both reaction mechanisms and estimate the kinetic parameters of biochemical pathways from time course data. To make it available to the scientific community, we developed a Graphical User Interface (GUI) for MIKANA. Among other features, the GUI validates and processes an input time course data, displays the inferred reactions, generates the differential equations for the chemical species in the pathway and plots the prediction curves on top of the input time course data. We also added a new feature to MIKANA that allows the user to exclude a priori known reactions from the inferred mechanism. This addition improves the performance of the method. In this article, we illustrate the GUI for MIKANA with three examples: an irreversible Michaelis–Menten reaction mechanism; the interaction map of chemical species of the muscle glycolytic pathway; and the glycolytic pathway of Lactococcus lactis. We also describe the code and methods in sufficient detail to allow researchers to further develop the code or reproduce the experiments described. The code for MIKANA is open source, free for academic and non-academic use and is available for download (Information S1). PMID:22096591

A graphical user interface for a method to infer kinetics and network architecture (MIKANA).

PubMed

Mourão, Márcio A; Srividhya, Jeyaraman; McSharry, Patrick E; Crampin, Edmund J; Schnell, Santiago

2011-01-01

One of the main challenges in the biomedical sciences is the determination of reaction mechanisms that constitute a biochemical pathway. During the last decades, advances have been made in building complex diagrams showing the static interactions of proteins. The challenge for systems biologists is to build realistic models of the dynamical behavior of reactants, intermediates and products. For this purpose, several methods have been recently proposed to deduce the reaction mechanisms or to estimate the kinetic parameters of the elementary reactions that constitute the pathway. One such method is MIKANA: Method to Infer Kinetics And Network Architecture. MIKANA is a computational method to infer both reaction mechanisms and estimate the kinetic parameters of biochemical pathways from time course data. To make it available to the scientific community, we developed a Graphical User Interface (GUI) for MIKANA. Among other features, the GUI validates and processes an input time course data, displays the inferred reactions, generates the differential equations for the chemical species in the pathway and plots the prediction curves on top of the input time course data. We also added a new feature to MIKANA that allows the user to exclude a priori known reactions from the inferred mechanism. This addition improves the performance of the method. In this article, we illustrate the GUI for MIKANA with three examples: an irreversible Michaelis-Menten reaction mechanism; the interaction map of chemical species of the muscle glycolytic pathway; and the glycolytic pathway of Lactococcus lactis. We also describe the code and methods in sufficient detail to allow researchers to further develop the code or reproduce the experiments described. The code for MIKANA is open source, free for academic and non-academic use and is available for download (Information S1).

Experimental studies related to the origin of the genetic code and the process of protein synthesis - A review

NASA Technical Reports Server (NTRS)

Lacey, J. C., Jr.; Mullins, D. W., Jr.

1983-01-01

A survey is presented of the literature on the experimental evidence for the genetic code assignments and the chemical reactions involved in the process of protein synthesis. In view of the enormous number of theoretical models that have been advanced to explain the origin of the genetic code, attention is confined to experimental studies. Since genetic coding has significance only within the context of protein synthesis, it is believed that the problem of the origin of the code must be dealt with in terms of the origin of the process of protein synthesis. It is contended that the answers must lie in the nature of the molecules, amino acids and nucleotides, the affinities they might have for one another, and the effect that those affinities must have on the chemical reactions that are related to primitive protein synthesis. The survey establishes that for the bulk of amino acids, there is a direct and significant correlation between the hydrophobicity rank of the amino acids and the hydrophobicity rank of their anticodonic dinucleotides.

Ab initio Quantum Chemical and Experimental Reaction Kinetics Studies in the Combustion of Bipropellants

DTIC Science & Technology

2017-03-24

NUMBER (Include area code) 24 March 2017 Briefing Charts 01 March 2017 - 31 March 2017 Ab initio Quantum Chemical and Experimental Reaction Kinetics...Laboratory AFRL/RQRS 1 Ara Road Edwards AFB, CA 93524 *Email: ghanshyam.vaghjiani@us.af.mil Ab initio Quantum Chemical and Experimental Reaction ...Clearance 17161 Zador et al., Prog. Energ. Combust. Sci., 37 371 (2011) Why Quantum Chemical Reaction Kinetics Studies? DISTRIBUTION A: Approved for

Integral experiments on thorium assemblies with D-T neutron source

NASA Astrophysics Data System (ADS)

Liu, Rong; Yang, Yiwei; Feng, Song; Zheng, Lei; Lai, Caifeng; Lu, Xinxin; Wang, Mei; Jiang, Li

2017-09-01

To validate nuclear data and code in the neutronics design of a hybrid reactor with thorium, integral experiments in two kinds of benchmark thorium assemblies with a D-T fusion neutron source have been performed. The one kind of 1D assemblies consists of polyethylene and depleted uranium shells. The other kind of 2D assemblies consists of three thorium oxide cylinders. The capture reaction rates, fission reaction rates, and (n, 2n) reaction rates in 232Th in the assemblies are measured by ThO2 foils. The leakage neutron spectra from the ThO2 cylinders are measured by a liquid scintillation detector. The experimental uncertainties in all the results are analyzed. The measured results are compared to the calculated ones with MCNP code and ENDF/B-VII.0 library data.

ASTEC—the Aarhus STellar Evolution Code

NASA Astrophysics Data System (ADS)

Christensen-Dalsgaard, Jørgen

2008-08-01

The Aarhus code is the result of a long development, starting in 1974, and still ongoing. A novel feature is the integration of the computation of adiabatic oscillations for specified models as part of the code. It offers substantial flexibility in terms of microphysics and has been carefully tested for the computation of solar models. However, considerable development is still required in the treatment of nuclear reactions, diffusion and convective mixing.

Exclusive Reactions Involving Pions and Nucleons

NASA Technical Reports Server (NTRS)

Norbury, John W.; Blattnig, Steve R.; Tripathi, R. K.

2002-01-01

The HZETRN code requires inclusive cross sections as input. One of the methods used to calculate these cross sections requires knowledge of all exclusive processes contributing to the inclusive reaction. Conservation laws are used to determine all possible exclusive reactions involving strong interactions between pions and nucleons. Inclusive particle masses are subsequently determined and are needed in cross-section calculations for inclusive pion production.

On the Green's function of the partially diffusion-controlled reversible ABCD reaction for radiation chemistry codes

NASA Astrophysics Data System (ADS)

Plante, Ianik; Devroye, Luc

2015-09-01

Several computer codes simulating chemical reactions in particles systems are based on the Green's functions of the diffusion equation (GFDE). Indeed, many types of chemical systems have been simulated using the exact GFDE, which has also become the gold standard for validating other theoretical models. In this work, a simulation algorithm is presented to sample the interparticle distance for partially diffusion-controlled reversible ABCD reaction. This algorithm is considered exact for 2-particles systems, is faster than conventional look-up tables and uses only a few kilobytes of memory. The simulation results obtained with this method are compared with those obtained with the independent reaction times (IRT) method. This work is part of our effort in developing models to understand the role of chemical reactions in the radiation effects on cells and tissues and may eventually be included in event-based models of space radiation risks. However, as many reactions are of this type in biological systems, this algorithm might play a pivotal role in future simulation programs not only in radiation chemistry, but also in the simulation of biochemical networks in time and space as well.

Uncertainty evaluation of nuclear reaction model parameters using integral and microscopic measurements. Covariances evaluation with CONRAD code

NASA Astrophysics Data System (ADS)

de Saint Jean, C.; Habert, B.; Archier, P.; Noguere, G.; Bernard, D.; Tommasi, J.; Blaise, P.

2010-10-01

In the [eV;MeV] energy range, modelling of the neutron induced reactions are based on nuclear reaction models having parameters. Estimation of co-variances on cross sections or on nuclear reaction model parameters is a recurrent puzzle in nuclear data evaluation. Major breakthroughs were asked by nuclear reactor physicists to assess proper uncertainties to be used in applications. In this paper, mathematical methods developped in the CONRAD code[2] will be presented to explain the treatment of all type of uncertainties, including experimental ones (statistical and systematic) and propagate them to nuclear reaction model parameters or cross sections. Marginalization procedure will thus be exposed using analytical or Monte-Carlo solutions. Furthermore, one major drawback found by reactor physicist is the fact that integral or analytical experiments (reactor mock-up or simple integral experiment, e.g. ICSBEP, …) were not taken into account sufficiently soon in the evaluation process to remove discrepancies. In this paper, we will describe a mathematical framework to take into account properly this kind of information.

National Nuclear Data Center

Science.gov Websites

reaction data Sigma Retrieval & Plotting Nuclear structure & decay Data Nuclear Science References Experimental Unevaluated Nuclear Data List Evaluated Nuclear Structure Data File NNDC databases Ground and isomeric states properties Nuclear structure & decay data journal Nuclear reaction model code Tools and

Study of (n,2n) reaction on 191,193Ir isotopes and isomeric cross section ratios

NASA Astrophysics Data System (ADS)

Vlastou, R.; Kalamara, A.; Kokkoris, M.; Patronis, N.; Serris, M.; Georgoulakis, M.; Hassapoglou, S.; Kobothanasis, K.; Axiotis, M.; Lagoyannis, A.

2017-09-01

The cross section of 191Ir(n,2n)190Irg+m1 and 191Ir(n,2n)190Irm2 reactions has been measured at 17.1 and 20.9 MeV neutron energies at the 5.5 MV tandem T11/25 Accelerator Laboratory of NCSR "Demokritos", using the activation method. The neutron beams were produced by means of the 3H(d,n)4He reaction at a flux of the order of 2 × 105 n/cm2s. The neutron flux has been deduced implementing the 27Al(n,α) reaction, while the flux variation of the neutron beam was monitored by using a BF3 detector. The 193Ir(n,2n)192Ir reaction cross section has also been determined, taking into account the contribution from the contaminant 191Ir(n,γ)192Ir reaction. The correction method is based on the existing data in ENDF for the contaminant reaction, convoluted with the neutron spectra which have been extensively studied by means of simulations using the NeusDesc and MCNP codes. Statistical model calculations using the code EMPIRE 3.2.2 and taking into account pre-equilibrium emission, have been performed on the data measured in this work as well as on data reported in literature.

Rates for neutron-capture reactions on tungsten isotopes in iron meteorites. [Abstract only

NASA Technical Reports Server (NTRS)

Masarik, J.; Reedy, R. C.

1994-01-01

High-precision W isotopic analyses by Harper and Jacobsen indicate the W-182/W-183 ratio in the Toluca iron meteorite is shifted by -(3.0 +/- 0.9) x 10(exp -4) relative to a terrestrial standard. Possible causes of this shift are neutron-capture reactions on W during Toluca's approximately 600-Ma exposure to cosmic ray particles or radiogenic growth of W-182 from 9-Ma Hf-182 in the silicate portion of the Earth after removal of W to the Earth's core. Calculations for the rates of neutron-capture reactions on W isotopes were done to study the first possibility. The LAHET Code System (LCS) which consists of the Los Alamos High Energy Transport (LAHET) code and the Monte Carlo N-Particle(MCNP) transport code was used to numerically simulate the irradiation of the Toluca iron meteorite by galactic-cosmic-ray (GCR) particles and to calculate the rates of W(n, gamma) reactions. Toluca was modeled as a 3.9-m-radius sphere with the composition of a typical IA iron meteorite. The incident GCR protons and their interactions were modeled with LAHET, which also handled the interactions of neutrons with energies above 20 MeV. The rates for the capture of neutrons by W-182, W-183, and W-186 were calculated using the detailed library of (n, gamma) cross sections in MCNP. For this study of the possible effect of W(n, gamma) reactions on W isotope systematics, we consider the peak rates. The calculated maximum change in the normalized W-182/W-183 ratio due to neutron-capture reactions cannot account for more than 25% of the mass 182 deficit observed in Toluca W.

The Application of SERS (Surface Enhanced Raman Scattering) to Study Surface Oxidation Reactions of Phosphonates.

DTIC Science & Technology

1988-02-15

Center Attn: Dr. Ron Atkins Code 50C Chemistry Division Crane, Indiana 47522-5050 China Lake, California 93555 Scientific Advisor INaval Civil...Superintendent Marine Sciences Division Chemistry Division, Code 6100 San Diego, California 91232 Naval Research Laboratory Washington, D.C. 20375-5000 ,! .1

Incorporation of coupled nonequilibrium chemistry into a two-dimensional nozzle code (SEAGULL)

NASA Technical Reports Server (NTRS)

Ratliff, A. W.

1979-01-01

A two-dimensional multiple shock nozzle code (SEAGULL) was extended to include the effects of finite rate chemistry. The basic code that treats multiple shocks and contact surfaces was fully coupled with a generalized finite rate chemistry and vibrational energy exchange package. The modified code retains all of the original SEAGULL features plus the capability to treat chemical and vibrational nonequilibrium reactions. Any chemical and/or vibrational energy exchange mechanism can be handled as long as thermodynamic data and rate constants are available for all participating species.

Fission time scale from pre-scission neutron and α multiplicities in the 16O + 194Pt reaction

NASA Astrophysics Data System (ADS)

Kapoor, K.; Verma, S.; Sharma, P.; Mahajan, R.; Kaur, N.; Kaur, G.; Behera, B. R.; Singh, K. P.; Kumar, A.; Singh, H.; Dubey, R.; Saneesh, N.; Jhingan, A.; Sugathan, P.; Mohanto, G.; Nayak, B. K.; Saxena, A.; Sharma, H. P.; Chamoli, S. K.; Mukul, I.; Singh, V.

2017-11-01

Pre- and post-scission α -particle multiplicities have been measured for the reaction 16O+P194t at 98.4 MeV forming R210n compound nucleus. α particles were measured at various angles in coincidence with the fission fragments. Moving source technique was used to extract the pre- and post-scission contributions to the particle multiplicity. Study of the fission mechanism using the different probes are helpful in understanding the detailed reaction dynamics. The neutron multiplicities for this reaction have been reported earlier. The multiplicities of neutrons and α particles were reproduced using standard statistical model code joanne2 by varying the transient (τt r) and saddle to scission (τs s c) times. This code includes deformation dependent-particle transmission coefficients, binding energies and level densities. Fission time scales of the order of 50-65 ×10-21 s are required to reproduce the neutron and α -particle multiplicities.

Open-source Framework for Storing and Manipulation of Plasma Chemical Reaction Data

NASA Astrophysics Data System (ADS)

Jenkins, T. G.; Averkin, S. N.; Cary, J. R.; Kruger, S. E.

2017-10-01

We present a new open-source framework for storage and manipulation of plasma chemical reaction data that has emerged from our in-house project MUNCHKIN. This framework consists of python scripts and C + + programs. It stores data in an SQL data base for fast retrieval and manipulation. For example, it is possible to fit cross-section data into most widely used analytical expressions, calculate reaction rates for Maxwellian distribution functions of colliding particles, and fit them into different analytical expressions. Another important feature of this framework is the ability to calculate transport properties based on the cross-section data and supplied distribution functions. In addition, this framework allows the export of chemical reaction descriptions in LaTeX format for ease of inclusion in scientific papers. With the help of this framework it is possible to generate corresponding VSim (Particle-In-Cell simulation code) and USim (unstructured multi-fluid code) input blocks with appropriate cross-sections.

Proton bombarded reactions of Calcium target nuclei

NASA Astrophysics Data System (ADS)

Tel, Eyyup; Sahan, Muhittin; Sarpün, Ismail Hakki; Kavun, Yusuf; Gök, Ali Armagan; Depedelen, Mesut

2017-09-01

In this study, proton bombarded nuclear reactions calculations of Calcium target nuclei have been investigated in the incident proton energy range of 1-50 MeV. The excitation functions for 40Ca target nuclei reactions have been calculated by using PCROSS nuclear reaction calculation code. Weisskopf-Ewing and the full exciton models were used for equilibrium and for pre-equilibrium calculations, respectively. The excitation functions for 40Ca target nuclei reactions (p,α), (p,n), (p,p) have been calculated using the semi-empirical formula Tel et al. [5].

Toward socio-scientific participation: changing culture in the science classroom and much more. Setting the stage

NASA Astrophysics Data System (ADS)

Taylor, Peter; Lee, Stuart H.; Tal, Tali

2006-12-01

In response to Tali and Yarden's presentation of their efforts to teach socioscientific issues, the discussants address issues of authentic versus simulated activities; teachers as learners or co-creators with their students; educating people to contribute to science-based decisionmaking; the development of such socioscientific competence; the relationship between group or participatory processes and individual development; framing real world cases for every age of student; making space to delve into the historical and social background to any scientific theory, practice, or application; educating teachers who can coach students in socioscientific inquiry; and facing off against the traditional and resurgent emphasis on highstakes, content-oriented testing of students in science.

Analysis of Aeroheating Augmentation due to Reaction Control System Jets on Orion Crew Exploration Vehicle

NASA Technical Reports Server (NTRS)

Dyakonov, Artem A.; Buck, Gregory M.; Decaro, Anthony D.

2009-01-01

The analysis of effects of the reaction control system jet plumes on aftbody heating of Orion entry capsule is presented. The analysis covered hypersonic continuum part of the entry trajectory. Aerothermal environments at flight conditions were evaluated using Langley Aerothermal Upwind Relaxation Algorithm (LAURA) code and Data Parallel Line Relaxation (DPLR) algorithm code. Results show a marked augmentation of aftbody heating due to roll, yaw and aft pitch thrusters. No significant augmentation is expected due to forward pitch thrusters. Of the conditions surveyed the maximum heat rate on the aftshell is expected when firing a pair of roll thrusters at a maximum deceleration condition.

Development of a model and computer code to describe solar grade silicon production processes

NASA Technical Reports Server (NTRS)

Srivastava, R.; Gould, R. K.

1979-01-01

Mathematical models, and computer codes based on these models were developed which allow prediction of the product distribution in chemical reactors in which gaseous silicon compounds are converted to condensed phase silicon. The reactors to be modeled are flow reactors in which silane or one of the halogenated silanes is thermally decomposed or reacted with an alkali metal, H2 or H atoms. Because the product of interest is particulate silicon, processes which must be modeled, in addition to mixing and reaction of gas-phase reactants, include the nucleation and growth of condensed Si via coagulation, condensation, and heterogeneous reaction.

Theoretical research program to study chemical reactions in AOTV bow shock tubes

NASA Technical Reports Server (NTRS)

Taylor, P.

1986-01-01

Progress in the development of computational methods for the characterization of chemical reactions in aerobraking orbit transfer vehicle (AOTV) propulsive flows is reported. Two main areas of code development were undertaken: (1) the implementation of CASSCF (complete active space self-consistent field) and SCF (self-consistent field) analytical first derivatives on the CRAY X-MP; and (2) the installation of the complete set of electronic structure codes on the CRAY 2. In the area of application calculations the main effort was devoted to performing full configuration-interaction calculations and using these results to benchmark other methods. Preprints describing some of the systems studied are included.

Production of Pions in pA-collisions

NASA Technical Reports Server (NTRS)

Moskalenko, I. V.; Mashnik, S. G.

2003-01-01

Accurate knowledge of pion production cross section in PA-collisions is of interest for astrophysics, CR physics, and space radiation studies. Meanwhile, pion production in pA-reactions is often accounted for by simple scaling of that for pp-collisions, which is not enough for many real applications. We evaluate the quality of existing parameterizations using the data and simulations with the Los Alamos version of the Quark-Gluon String Model code LAQGSM and the improved Cascade-Exciton Model code CEM2k. The LAQGSM and CEM2k models have been shown to reproduce well nuclear reactions and hadronic data in the range 0.01-800 GeV/nucleon.

PelePhysics

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

2017-05-17

PelePhysics is a suite of physics packages that provides functionality of use to reacting hydrodynamics CFD codes. The initial release includes an interface to reaction rate mechanism evaluation, transport coefficient evaluation, and a generalized equation of state (EOS) facility. Both generic evaluators and interfaces to code from externally available tools (Fuego for chemical rates, EGLib for transport coefficients) are provided.

Liquid rocket combustor computer code development

NASA Technical Reports Server (NTRS)

Liang, P. Y.

1985-01-01

The Advanced Rocket Injector/Combustor Code (ARICC) that has been developed to model the complete chemical/fluid/thermal processes occurring inside rocket combustion chambers are highlighted. The code, derived from the CONCHAS-SPRAY code originally developed at Los Alamos National Laboratory incorporates powerful features such as the ability to model complex injector combustion chamber geometries, Lagrangian tracking of droplets, full chemical equilibrium and kinetic reactions for multiple species, a fractional volume of fluid (VOF) description of liquid jet injection in addition to the gaseous phase fluid dynamics, and turbulent mass, energy, and momentum transport. Atomization and droplet dynamic models from earlier generation codes are transplated into the present code. Currently, ARICC is specialized for liquid oxygen/hydrogen propellants, although other fuel/oxidizer pairs can be easily substituted.

Presenting a new kinetic model for methanol to light olefins reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson mechanism

NASA Astrophysics Data System (ADS)

Javad Azarhoosh, Mohammad; Halladj, Rouein; Askari, Sima

2017-10-01

In this study, a new kinetic model for methanol to light olefins (MTO) reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism was presented and the kinetic parameters was obtained using a genetic algorithm (GA) and genetic programming (GP). Several kinetic models for the MTO reactions have been presented. However, due to the complexity of the reactions, most reactions are considered lumped and elementary, which cannot be deemed a completely accurate kinetic model of the process. Therefore, in this study, the LHHW mechanism is presented as kinetic models of MTO reactions. Because of the non-linearity of the kinetic models and existence of many local optimal points, evolutionary algorithms (GA and GP) are used in this study to estimate the kinetic parameters in the rate equations. Via the simultaneous connection of the code related to modelling the reactor and the GA and GP codes in the MATLAB R2013a software, optimization of the kinetic models parameters was performed such that the least difference between the results from the kinetic models and experiential results was obtained and the best kinetic parameters of MTO process reactions were achieved. A comparison of the results from the model with experiential results showed that the present model possesses good accuracy.

Amino acid fermentation at the origin of the genetic code.

PubMed

de Vladar, Harold P

2012-02-10

There is evidence that the genetic code was established prior to the existence of proteins, when metabolism was powered by ribozymes. Also, early proto-organisms had to rely on simple anaerobic bioenergetic processes. In this work I propose that amino acid fermentation powered metabolism in the RNA world, and that this was facilitated by proto-adapters, the precursors of the tRNAs. Amino acids were used as carbon sources rather than as catalytic or structural elements. In modern bacteria, amino acid fermentation is known as the Stickland reaction. This pathway involves two amino acids: the first undergoes oxidative deamination, and the second acts as an electron acceptor through reductive deamination. This redox reaction results in two keto acids that are employed to synthesise ATP via substrate-level phosphorylation. The Stickland reaction is the basic bioenergetic pathway of some bacteria of the genus Clostridium. Two other facts support Stickland fermentation in the RNA world. First, several Stickland amino acid pairs are synthesised in abiotic amino acid synthesis. This suggests that amino acids that could be used as an energy substrate were freely available. Second, anticodons that have complementary sequences often correspond to amino acids that form Stickland pairs. The main hypothesis of this paper is that pairs of complementary proto-adapters were assigned to Stickland amino acids pairs. There are signatures of this hypothesis in the genetic code. Furthermore, it is argued that the proto-adapters formed double strands that brought amino acid pairs into proximity to facilitate their mutual redox reaction, structurally constraining the anticodon pairs that are assigned to these amino acid pairs. Significance tests which randomise the code are performed to study the extent of the variability of the energetic (ATP) yield. Random assignments can lead to a substantial yield of ATP and maintain enough variability, thus selection can act and refine the assignments into a proto-code that optimises the energetic yield. Monte Carlo simulations are performed to evaluate the establishment of these simple proto-codes, based on amino acid substitutions and codon swapping. In all cases, donor amino acids are assigned to anticodons composed of U+G, and have low redundancy (1-2 codons), whereas acceptor amino acids are assigned to the the remaining codons. These bioenergetic and structural constraints allow for a metabolic role for amino acids before their co-option as catalyst cofactors.

Source terms, shielding calculations and soil activation for a medical cyclotron.

PubMed

Konheiser, J; Naumann, B; Ferrari, A; Brachem, C; Müller, S E

2016-12-01

Calculations of the shielding and estimates of soil activation for a medical cyclotron are presented in this work. Based on the neutron source term from the 18 O(p,n) 18 F reaction produced by a 28 MeV proton beam, neutron and gamma dose rates outside the building were estimated with the Monte Carlo code MCNP6 (Goorley et al 2012 Nucl. Technol. 180 298-315). The neutron source term was calculated with the MCNP6 code and FLUKA (Ferrari et al 2005 INFN/TC_05/11, SLAC-R-773) code as well as with supplied data by the manufacturer. MCNP and FLUKA calculations yielded comparable results, while the neutron yield obtained using the manufacturer-supplied information is about a factor of 5 smaller. The difference is attributed to the missing channels in the manufacturer-supplied neutron source terms which considers only the 18 O(p,n) 18 F reaction, whereas the MCNP and FLUKA calculations include additional neutron reaction channels. Soil activation was performed using the FLUKA code. The estimated dose rate based on MCNP6 calculations in the public area is about 0.035 µSv h -1 and thus significantly below the reference value of 0.5 µSv h -1 (2011 Strahlenschutzverordnung, 9 Auflage vom 01.11.2011, Bundesanzeiger Verlag). After 5 years of continuous beam operation and a subsequent decay time of 30 d, the activity concentration of the soil is about 0.34 Bq g -1 .

Experimental differential cross sections, level densities, and spin cutoffs as a testing ground for nuclear reaction codes

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

Voinov, Alexander V.; Grimes, Steven M.; Brune, Carl R.

Proton double-differential cross sections from 59Co(α,p) 62Ni, 57Fe(α,p) 60Co, 56Fe( 7Li,p) 62Ni, and 55Mn( 6Li,p) 60Co reactions have been measured with 21-MeV α and 15-MeV lithium beams. Cross sections have been compared against calculations with the empire reaction code. Different input level density models have been tested. It was found that the Gilbert and Cameron [A. Gilbert and A. G. W. Cameron, Can. J. Phys. 43, 1446 (1965)] level density model is best to reproduce experimental data. Level densities and spin cutoff parameters for 62Ni and 60Co above the excitation energy range of discrete levels (in continuum) have been obtainedmore » with a Monte Carlo technique. Furthermore, excitation energy dependencies were found to be inconsistent with the Fermi-gas model.« less

Quantifying consumption rates of dissolved oxygen along bed forms

NASA Astrophysics Data System (ADS)

Boano, Fulvio; De Falco, Natalie; Arnon, Shai

2016-04-01

Streambed interfaces represent hotspots for nutrient transformations because they host different microbial species, and the evaluation of these reaction rates is important to assess the fate of nutrients in riverine environments. In this work we analyze a series of flume experiments on oxygen demand in dune-shaped hyporheic sediments under losing and gaining flow conditions. We employ a new modeling code to quantify oxygen consumption rates from observed vertical profiles of oxygen concentration. The code accounts for transport by molecular diffusion and water advection, and automatically determines the reaction rates that provide the best fit between observed and modeled concentration values. The results show that reaction rates are not uniformly distributed across the streambed, in agreement with the expected behavior predicted by hyporheic exchange theory. Oxygen consumption was found to be highly influenced by the presence of gaining or losing flow conditions, which controlled the delivery of labile DOC to streambed microorganisms.

Data Parallel Line Relaxation (DPLR) Code User Manual: Acadia - Version 4.01.1

NASA Technical Reports Server (NTRS)

Wright, Michael J.; White, Todd; Mangini, Nancy

2009-01-01

Data-Parallel Line Relaxation (DPLR) code is a computational fluid dynamic (CFD) solver that was developed at NASA Ames Research Center to help mission support teams generate high-value predictive solutions for hypersonic flow field problems. The DPLR Code Package is an MPI-based, parallel, full three-dimensional Navier-Stokes CFD solver with generalized models for finite-rate reaction kinetics, thermal and chemical non-equilibrium, accurate high-temperature transport coefficients, and ionized flow physics incorporated into the code. DPLR also includes a large selection of generalized realistic surface boundary conditions and links to enable loose coupling with external thermal protection system (TPS) material response and shock layer radiation codes.

The Quest for Comparability: Studying the Invariance of the Teachers’ Sense of Self-Efficacy (TSES) Measure across Countries

PubMed Central

Scherer, Ronny; Jansen, Malte; Nilsen, Trude; Areepattamannil, Shaljan; Marsh, Herbert W.

2016-01-01

Teachers’ self-efficacy is an important motivational construct that is positively related to a variety of outcomes for both the teachers and their students. This study addresses challenges associated with the commonly used ‘Teachers’ Sense of Self-Efficacy (TSES)’ measure across countries and provides a synergism between substantive research on teachers’ self-efficacy and the novel methodological approach of exploratory structural equation modeling (ESEM). These challenges include adequately representing the conceptual overlap between the facets of self-efficacy in a measurement model (cross-loadings) and comparing means and factor structures across countries (measurement invariance). On the basis of the OECD Teaching and Learning International Survey (TALIS) 2013 data set comprising 32 countries (N = 164,687), we investigate the effects of cross-loadings in the TSES measurement model on the results of measurement invariance testing and the estimation of relations to external constructs (i.e., working experience, job satisfaction). To further test the robustness of our results, we replicate the 32-countries analyses for three selected sub-groups of countries (i.e., Nordic, East and South-East Asian, and Anglo-Saxon country clusters). For each of the TALIS 2013 participating countries, we found that the factor structure of the self-efficacy measure is better represented by ESEM than by confirmatory factor analysis (CFA) models that do not allow for cross-loadings. For both ESEM and CFA, only metric invariance could be achieved. Nevertheless, invariance levels beyond metric invariance are better achieved with ESEM within selected country clusters. Moreover, the existence of cross-loadings did not affect the relations between the dimensions of teachers’ self-efficacy and external constructs. Overall, this study shows that a conceptual overlap between the facets of self-efficacy exists and can be well-represented by ESEM. We further argue for the cross-cultural generalizability of the corresponding measurement model. PMID:26959236

The Quest for Comparability: Studying the Invariance of the Teachers' Sense of Self-Efficacy (TSES) Measure across Countries.

PubMed

Scherer, Ronny; Jansen, Malte; Nilsen, Trude; Areepattamannil, Shaljan; Marsh, Herbert W

2016-01-01

Teachers' self-efficacy is an important motivational construct that is positively related to a variety of outcomes for both the teachers and their students. This study addresses challenges associated with the commonly used 'Teachers' Sense of Self-Efficacy (TSES)' measure across countries and provides a synergism between substantive research on teachers' self-efficacy and the novel methodological approach of exploratory structural equation modeling (ESEM). These challenges include adequately representing the conceptual overlap between the facets of self-efficacy in a measurement model (cross-loadings) and comparing means and factor structures across countries (measurement invariance). On the basis of the OECD Teaching and Learning International Survey (TALIS) 2013 data set comprising 32 countries (N = 164,687), we investigate the effects of cross-loadings in the TSES measurement model on the results of measurement invariance testing and the estimation of relations to external constructs (i.e., working experience, job satisfaction). To further test the robustness of our results, we replicate the 32-countries analyses for three selected sub-groups of countries (i.e., Nordic, East and South-East Asian, and Anglo-Saxon country clusters). For each of the TALIS 2013 participating countries, we found that the factor structure of the self-efficacy measure is better represented by ESEM than by confirmatory factor analysis (CFA) models that do not allow for cross-loadings. For both ESEM and CFA, only metric invariance could be achieved. Nevertheless, invariance levels beyond metric invariance are better achieved with ESEM within selected country clusters. Moreover, the existence of cross-loadings did not affect the relations between the dimensions of teachers' self-efficacy and external constructs. Overall, this study shows that a conceptual overlap between the facets of self-efficacy exists and can be well-represented by ESEM. We further argue for the cross-cultural generalizability of the corresponding measurement model.

[Levels of trace elements in the fruits and vegetables from the so-called Land of fires in Campania Region (Southern Italy)].

PubMed

Esposito, Mauro; Cavallo, Stefania; Rosato, Guido; Chiaravalle, Eugenio; Miedico, Oto; Pellicanò, Roberta; Soprano, Vittorio; Baldi, Loredana

2016-01-01

INTRODUZIONE: una vasta area compresa tra le province di Napoli e Caserta nella regione Campania ha negli ultimi anni attirato l'attenzione dei mass media a causa degli interramenti illeciti di rifiuti di varia origine nei campi o del loro abbandono lungo le strade. A tali pratiche illecite si aggiunge il fenomeno dei roghi incontrollati di questo materiale, motivo per il quale la zona è stata soprannominata "Terra dei fuochi". OBIETTIVI: ricerca di elementi in tracce presenti nei prodotti alimentari di origine vegetale prodotti nella Terra dei fuochi. DISEGNO E SETTING: piano di monitoraggio per il rilevamento dei livelli di alcuni metalli tossici ed essenziali nei vegetali coltivati in Campania nella Terra dei fuochi. La determinazione dei microelementi è stata effettuata dopo mineralizzazione della sostanza organica mediante microonde, utilizzando la spettrometria di massa a plasma induttivamente accoppiato (ICP-MS). RISULTATI: durante l'attività di monitoraggio sono stati raccolti 65 campioni di ortaggi e 49 campioni di frutta in 43 comuni rientranti nella Terra dei fuochi. Il contenuto medio di metalli tossici, cadmio e piombo nei prodotti ortofrutticoli è risultato ben lontano dai limiti massimi fissati dalla normativa europea. I valori delle concentrazioni sono significativamente inferiori rispetto a quanto riscontrato in zone ad alto impatto ambientale a causa della presenza di impianti industriali. CONCLUSIONI: la presenza di elementi tossici o potenzialmente tali nei campioni vegetali prodotti nella Terra dei fuochi è attribuibile a una varietà di fattori ambientali rilevanti (caratteristiche geologiche dell'area, inquinamento del suolo, dell'atmosfera e delle acque di irrigazione, pratiche illecite di smaltimento dei rifiuti industriali); non sembra, tuttavia, sussistere un rischio per la salute dei consumatori. Resta comunque l'allerta per la loro presenza nell'ambiente e la necessità che le attività di monitoraggio continuino.

Students' Views and Attitudes Towards the Communication Code Used in Press Articles about Science

ERIC Educational Resources Information Center

Halkia, Krystallia; Mantzouridis, Dimitris

2005-01-01

The present research was designed to investigate the reaction of secondary school students to the communication code that the press uses in science articles: it attempts to trace which communication techniques can be of potential use in science education. The sample of the research consists of 351 secondary school students. The research instrument…

Expanding the genetic code for site-specific labelling of tobacco mosaic virus coat protein and building biotin-functionalized virus-like particles.

PubMed

Wu, F C; Zhang, H; Zhou, Q; Wu, M; Ballard, Z; Tian, Y; Wang, J Y; Niu, Z W; Huang, Y

2014-04-18

A method for site-specific and high yield modification of tobacco mosaic virus coat protein (TMVCP) utilizing a genetic code expanding technology and copper free cycloaddition reaction has been established, and biotin-functionalized virus-like particles were built by the self-assembly of the protein monomers.

A Plain English Map of the Human Glycolysis Enzymes.

ERIC Educational Resources Information Center

Offner, Susan

1999-01-01

Presents a plain English map of the gene coding for the glycolysis enzymes in humans to be used as a teaching tool. The map can be used to illustrate that every reaction in a cell requires an enzyme, and that every enzyme is a protein coded for by a gene somewhere on the chromosomes. (WRM)

Comparison between calculation and measured data on secondary neutron energy spectra by heavy ion reactions from different thick targets.

PubMed

Iwase, H; Wiegel, B; Fehrenbacher, G; Schardt, D; Nakamura, T; Niita, K; Radon, T

2005-01-01

Measured neutron energy fluences from high-energy heavy ion reactions through targets several centimeters to several hundred centimeters thick were compared with calculations made using the recently developed general-purpose particle and heavy ion transport code system (PHITS). It was confirmed that the PHITS represented neutron production by heavy ion reactions and neutron transport in thick shielding with good overall accuracy.

Fission Reaction Event Yield Algorithm

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

Hagmann, Christian; Verbeke, Jerome; Vogt, Ramona

FREYA (Fission Reaction Event Yield Algorithm) is a code that simulated the decay of a fissionable nucleus at specified excitation energy. In its present form, FREYA models spontaneous fission and neutron-induced fission up to 20 MeV. It includes the possibility of neutron emission from the nuclear prior to its fussion (nth chance fission).

Nuclear Reaction Models Responsible for Simulation of Neutron-induced Soft Errors in Microelectronics

NASA Astrophysics Data System (ADS)

Watanabe, Y.; Abe, S.

2014-06-01

Terrestrial neutron-induced soft errors in MOSFETs from a 65 nm down to a 25 nm design rule are analyzed by means of multi-scale Monte Carlo simulation using the PHITS-HyENEXSS code system. Nuclear reaction models implemented in PHITS code are validated by comparisons with experimental data. From the analysis of calculated soft error rates, it is clarified that secondary He and H ions provide a major impact on soft errors with decreasing critical charge. It is also found that the high energy component from 10 MeV up to several hundreds of MeV in secondary cosmic-ray neutrons has the most significant source of soft errors regardless of design rule.

LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

NASA Technical Reports Server (NTRS)

Bittker, D. A.

1994-01-01

LSENS has been developed for solving complex, homogeneous, gas-phase, chemical kinetics problems. The motivation for the development of this program is the continuing interest in developing detailed chemical reaction mechanisms for complex reactions such as the combustion of fuels and pollutant formation and destruction. A reaction mechanism is the set of all elementary chemical reactions that are required to describe the process of interest. Mathematical descriptions of chemical kinetics problems constitute sets of coupled, nonlinear, first-order ordinary differential equations (ODEs). The number of ODEs can be very large because of the numerous chemical species involved in the reaction mechanism. Further complicating the situation are the many simultaneous reactions needed to describe the chemical kinetics of practical fuels. For example, the mechanism describing the oxidation of the simplest hydrocarbon fuel, methane, involves over 25 species participating in nearly 100 elementary reaction steps. Validating a chemical reaction mechanism requires repetitive solutions of the governing ODEs for a variety of reaction conditions. Analytical solutions to the systems of ODEs describing chemistry are not possible, except for the simplest cases, which are of little or no practical value. Consequently, there is a need for fast and reliable numerical solution techniques for chemical kinetics problems. In addition to solving the ODEs describing chemical kinetics, it is often necessary to know what effects variations in either initial condition values or chemical reaction mechanism parameters have on the solution. Such a need arises in the development of reaction mechanisms from experimental data. The rate coefficients are often not known with great precision and in general, the experimental data are not sufficiently detailed to accurately estimate the rate coefficient parameters. The development of a reaction mechanism is facilitated by a systematic sensitivity analysis which provides the relationships between the predictions of a kinetics model and the input parameters of the problem. LSENS provides for efficient and accurate chemical kinetics computations and includes sensitivity analysis for a variety of problems, including nonisothermal conditions. LSENS replaces the previous NASA general chemical kinetics codes GCKP and GCKP84. LSENS is designed for flexibility, convenience and computational efficiency. A variety of chemical reaction models can be considered. The models include static system, steady one-dimensional inviscid flow, reaction behind an incident shock wave including boundary layer correction, and the perfectly stirred (highly backmixed) reactor. In addition, computations of equilibrium properties can be performed for the following assigned states, enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static problems LSENS computes sensitivity coefficients with respect to the initial values of the dependent variables and/or the three rates coefficient parameters of each chemical reaction. To integrate the ODEs describing chemical kinetics problems, LSENS uses the packaged code LSODE, the Livermore Solver for Ordinary Differential Equations, because it has been shown to be the most efficient and accurate code for solving such problems. The sensitivity analysis computations use the decoupled direct method, as implemented by Dunker and modified by Radhakrishnan. This method has shown greater efficiency and stability with equal or better accuracy than other methods of sensitivity analysis. LSENS is written in FORTRAN 77 with the exception of the NAMELIST extensions used for input. While this makes the code fairly machine independent, execution times on IBM PC compatibles would be unacceptable to most users. LSENS has been successfully implemented on a Sun4 running SunOS and a DEC VAX running VMS. With minor modifications, it should also be easily implemented on other platforms with FORTRAN compilers which support NAMELIST input. LSENS required 4Mb of RAM under SunOS 4.1.1 and 3.4Mb of RAM under VMS 5.5.1. The standard distribution medium for LSENS is a .25 inch streaming magnetic tape cartridge (QIC-24) in UNIX tar format. It is also available on a 1600 BPI 9-track magnetic tape or a TK50 tape cartridge in DEC VAX BACKUP format. Alternate distribution media and formats are available upon request. LSENS was developed in 1992.

Sharing a disparate landscape

NASA Astrophysics Data System (ADS)

Ali-Khan, Carolyne

2010-06-01

Working across boundaries of power, identity, and political geography is fraught with difficulties and contradictions. In Tali Tal and Iris Alkaher's, " Collaborative environmental projects in a multicultural society: Working from within separate or mutual landscapes?" the authors describe their efforts to do this in the highly charged atmosphere of Israel. This forum article offers a response to their efforts. Writing from a framework of critical pedagogy, I use the concepts of space and time to anchor my analysis, as I examine the issue of power in this Jew/Arab collaborative environmental project. This response problematizes "sharing" in a landscape fraught with disparities. It also looks to further Tal and Alkaher's work by geographically and politically grounding it in the broader current conflict and by juxtaposing sustainability with equity.

Subterranean production of neutrons, 39Ar and 21Ne: Rates and uncertainties

NASA Astrophysics Data System (ADS)

Šrámek, Ondřej; Stevens, Lauren; McDonough, William F.; Mukhopadhyay, Sujoy; Peterson, R. J.

2017-01-01

Accurate understanding of the subsurface production rate of the radionuclide 39Ar is necessary for argon dating techniques and noble gas geochemistry of the shallow and the deep Earth, and is also of interest to the WIMP dark matter experimental particle physics community. Our new calculations of subsurface production of neutrons, 21Ne , and 39Ar take advantage of the state-of-the-art reliable tools of nuclear physics to obtain reaction cross sections and spectra (TALYS) and to evaluate neutron propagation in rock (MCNP6). We discuss our method and results in relation to previous studies and show the relative importance of various neutron, 21Ne , and 39Ar nucleogenic production channels. Uncertainty in nuclear reaction cross sections, which is the major contributor to overall calculation uncertainty, is estimated from variability in existing experimental and library data. Depending on selected rock composition, on the order of 107-1010 α particles are produced in one kilogram of rock per year (order of 1-103 kg-1 s-1); the number of produced neutrons is lower by ∼ 6 orders of magnitude, 21Ne production rate drops by an additional factor of 15-20, and another one order of magnitude or more is dropped in production of 39Ar. Our calculation yields a nucleogenic 21Ne /4He production ratio of (4.6 ± 0.6) ×10-8 in Continental Crust and (4.2 ± 0.5) ×10-8 in Oceanic Crust and Depleted Mantle. Calculated 39Ar production rates span a great range from 29 ± 9 atoms kg-rock-1 yr-1 in the K-Th-U-enriched Upper Continental Crust to (2.6 ± 0.8) × 10-4 atoms kg-rock-1 yr-1 in Depleted Upper Mantle. Nucleogenic 39Ar production exceeds the cosmogenic production below ∼700 m depth and thus, affects radiometric ages of groundwater. The 39Ar chronometer, which fills in a gap between 3H and 14C , is particularly important given the need to tap deep reservoirs of ancient drinking water.

MCNP6 Simulation of Light and Medium Nuclei Fragmentation at Intermediate Energies

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

Mashnik, Stepan Georgievich; Kerby, Leslie Marie

2015-05-22

MCNP6, the latest and most advanced LANL Monte Carlo transport code, representing a merger of MCNP5 and MCNPX, is actually much more than the sum of those two computer codes; MCNP6 is available to the public via RSICC at Oak Ridge, TN, USA. In the present work, MCNP6 was validated and verified (V&V) against different experimental data on intermediate-energy fragmentation reactions, and results by several other codes, using mainly the latest modifications of the Cascade-Exciton Model (CEM) and of the Los Alamos version of the Quark-Gluon String Model (LAQGSM) event generators CEM03.03 and LAQGSM03.03. It was found that MCNP6 usingmore » CEM03.03 and LAQGSM03.03 describes well fragmentation reactions induced on light and medium target nuclei by protons and light nuclei of energies around 1 GeV/nucleon and below, and can serve as a reliable simulation tool for different applications, like cosmic-ray-induced single event upsets (SEU’s), radiation protection, and cancer therapy with proton and ion beams, to name just a few. Future improvements of the predicting capabilities of MCNP6 for such reactions are possible, and are discussed in this work.« less

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

NASA Technical Reports Server (NTRS)

Chitsomboon, Tawit

1992-01-01

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Implementation of a kappa-epsilon turbulence model to RPLUS3D code

NASA Astrophysics Data System (ADS)

Chitsomboon, Tawit

1992-02-01

The RPLUS3D code has been developed at the NASA Lewis Research Center to support the National Aerospace Plane (NASP) project. The code has the ability to solve three dimensional flowfields with finite rate combustion of hydrogen and air. The combustion process of the hydrogen-air system are simulated by an 18 reaction path, 8 species chemical kinetic mechanism. The code uses a Lower-Upper (LU) decomposition numerical algorithm as its basis, making it a very efficient and robust code. Except for the Jacobian matrix for the implicit chemistry source terms, there is no inversion of a matrix even though a fully implicit numerical algorithm is used. A k-epsilon turbulence model has recently been incorporated into the code. Initial validations have been conducted for a flow over a flat plate. Results of the validation studies are shown. Some difficulties in implementing the k-epsilon equations to the code are also discussed.

Modeling shock-driven reaction in low density PMDI foam

NASA Astrophysics Data System (ADS)

Brundage, Aaron; Alexander, C. Scott; Reinhart, William; Peterson, David

Shock experiments on low density polyurethane foams reveal evidence of reaction at low impact pressures. However, these reaction thresholds are not evident over the low pressures reported for historical Hugoniot data of highly distended polyurethane at densities below 0.1 g/cc. To fill this gap, impact data given in a companion paper for polymethylene diisocyanate (PMDI) foam with a density of 0.087 g/cc were acquired for model validation. An equation of state (EOS) was developed to predict the shock response of these highly distended materials over the full range of impact conditions representing compaction of the inert material, low-pressure decomposition, and compression of the reaction products. A tabular SESAME EOS of the reaction products was generated using the JCZS database in the TIGER equilibrium code. In particular, the Arrhenius Burn EOS, a two-state model which transitions from an unreacted to a reacted state using single step Arrhenius kinetics, as implemented in the shock physics code CTH, was modified to include a statistical distribution of states. Hence, a single EOS is presented that predicts the onset to reaction due to shock loading in PMDI-based polyurethane foams. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's NNSA under Contract DE-AC04-94AL85000.

Quantum dynamics of tunneling dominated reactions at low temperatures

NASA Astrophysics Data System (ADS)

Hazra, Jisha; Balakrishnan, N.

2015-05-01

We report a quantum dynamics study of the Li + HF → LiF + H reaction at low temperatures of interest to cooling and trapping experiments. Contributions from non-zero partial waves are analyzed and results show narrow resonances in the energy dependence of the cross section that survive partial wave summation. The computations are performed using the ABC code and a simple modification of the ABC code that enables separate energy cutoffs for the reactant and product rovibrational energy levels is found to dramatically reduce the basis set size and computational expense. Results obtained using two ab initio electronic potential energy surfaces for the LiHF system show strong sensitivity to the choice of the potential. In particular, small differences in the barrier heights of the two potential surfaces are found to dramatically influence the reaction cross sections at low energies. Comparison with recent measurements of the reaction cross section (Bobbenkamp et al 2011 J. Chem. Phys. 135 204306) shows similar energy dependence in the threshold regime and an overall good agreement with experimental data compared to previous theoretical results. Also, usefulness of a recently introduced method for ultracold reactions that employ the quantum close-coupling method at short-range and the multichannel quantum defect theory at long-range, is demonstrated in accurately evaluating product state-resolved cross sections for D + H2 and H + D2 reactions.

Volume I: fluidized-bed code documentation, for the period February 28, 1983-March 18, 1983

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

Piperopoulou, H.; Finson, M.; Bloomfield, D.

1983-03-01

This documentation supersedes the previous documentation of the Fluidized-Bed Gasifier code. Volume I documents a simulation program of a Fluidized-Bed Gasifier (FBG), and Volume II documents a systems model of the FBG. The FBG simulation program is an updated version of the PSI/FLUBED code which is capable of modeling slugging beds and variable bed diameter. In its present form the code is set up to model a Westinghouse commercial scale gasifier. The fluidized bed gasifier model combines the classical bubbling bed description for the transport and mixing processes with PSI-generated models for coal chemistry. At the distributor plate, the bubblemore » composition is that of the inlet gas and the initial bubble size is set by the details of the distributor plate. Bubbles grow by coalescence as they rise. The bubble composition and temperature change with height due to transport to and from the cloud as well as homogeneous reactions within the bubble. The cloud composition also varies with height due to cloud/bubble exchange, cloud/emulsion, exchange, and heterogeneous coal char reactions. The emulsion phase is considered to be well mixed.« less

Simulation of Charge Collection in Diamond Detectors Irradiated with Deuteron-Triton Neutron Sources

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

Milocco, Alberto; Trkov, Andrej; Pillon, Mario

2011-12-13

Diamond-based neutron spectrometers exhibit outstanding properties such as radiation hardness, low sensitivity to gamma rays, fast response and high-energy resolution. They represent a very promising application of diamonds for plasma diagnostics in fusion devices. The measured pulse height spectrum is obtained from the collection of helium and beryllium ions produced by the reactions on {sup 12}C. An original code is developed to simulate the production and the transport of charged particles inside the diamond detector. The ion transport methodology is based on the well-known TRIM code. The reactions of interest are triggered using the ENDF/B-VII.0 nuclear data for the neutronmore » interactions on carbon. The model is implemented in the TALLYX subroutine of the MCNP5 and MCNPX codes. Measurements with diamond detectors in a {approx}14 MeV neutron field have been performed at the FNG (Rome, Italy) and IRMM (Geel, Belgium) facilities. The comparison of the experimental data with the simulations validates the proposed model.« less

The NATA code; theory and analysis. Volume 2: User's manual

NASA Technical Reports Server (NTRS)

Bade, W. L.; Yos, J. M.

1975-01-01

The NATA code is a computer program for calculating quasi-one-dimensional gas flow in axisymmetric nozzles and rectangular channels, primarily to describe conditions in electric archeated wind tunnels. The program provides solutions based on frozen chemistry, chemical equilibrium, and nonequilibrium flow with finite reaction rates. The shear and heat flux on the nozzle wall are calculated and boundary layer displacement effects on the inviscid flow are taken into account. The program contains compiled-in thermochemical, chemical kinetic and transport cross section data for high-temperature air, CO2-N2-Ar mixtures, helium, and argon. It calculates stagnation conditions on axisymmetric or two-dimensional models and conditions on the flat surface of a blunt wedge. Included in the report are: definitions of the inputs and outputs; precoded data on gas models, reactions, thermodynamic and transport properties of species, and nozzle geometries; explanations of diagnostic outputs and code abort conditions; test problems; and a user's manual for an auxiliary program (NOZFIT) used to set up analytical curvefits to nozzle profiles.

Status of the R-matrix Code AMUR toward a consistent cross-section evaluation and covariance analysis for the light nuclei

NASA Astrophysics Data System (ADS)

Kunieda, Satoshi

2017-09-01

We report the status of the R-matrix code AMUR toward consistent cross-section evaluation and covariance analysis for the light-mass nuclei. The applicable limit of the code is extended by including computational capability for the charged-particle elastic scattering cross-sections and the neutron capture cross-sections as example results are shown in the main texts. A simultaneous analysis is performed on the 17O compound system including the 16O(n,tot) and 13C(α,n)16O reactions together with the 16O(n,n) and 13C(α,α) scattering cross-sections. It is found that a large theoretical background is required for each reaction process to obtain a simultaneous fit with all the experimental cross-sections we analyzed. Also, the hard-sphere radii should be assumed to be different from the channel radii. Although these are technical approaches, we could learn roles and sources of the theoretical background in the standard R-matrix.

Thermodynamic Analysis of the Combustion of Metallic Materials

NASA Technical Reports Server (NTRS)

Wilson, D. Bruce; Stoltzfus, Joel M.

2000-01-01

Two types of computer codes are available to assist in the thermodynamic analysis of metallic materials combustion. One type of code calculates phase equilibrium data and is represented by CALPHAD. The other type of code calculates chemical reaction by the Gordon-McBride code. The first has seen significant application for alloy-phase diagrams, but only recently has it been considered for oxidation systems. The Gordon-McBride code has been applied to the combustion of metallic materials. Both codes are limited by their treatment of non-ideal solutions and the fact they are limited to treating volatile and gaseous species as ideal. This paper examines the significance of these limitations for combustion of metallic materials. In addition, the applicability of linear-free energy relationships for solid-phase oxidation and their possible extension to liquid-phase systems is examined.

Analysis of JSI TRIGA MARK II reactor physical parameters calculated with TRIPOLI and MCNP.

PubMed

Henry, R; Tiselj, I; Snoj, L

2015-03-01

New computational model of the JSI TRIGA Mark II research reactor was built for TRIPOLI computer code and compared with existing MCNP code model. The same modelling assumptions were used in order to check the differences of the mathematical models of both Monte Carlo codes. Differences between the TRIPOLI and MCNP predictions of keff were up to 100pcm. Further validation was performed with analyses of the normalized reaction rates and computations of kinetic parameters for various core configurations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Improvement of Modeling HTGR Neutron Physics by Uncertainty Analysis with the Use of Cross-Section Covariance Information

NASA Astrophysics Data System (ADS)

Boyarinov, V. F.; Grol, A. V.; Fomichenko, P. A.; Ternovykh, M. Yu

2017-01-01

This work is aimed at improvement of HTGR neutron physics design calculations by application of uncertainty analysis with the use of cross-section covariance information. Methodology and codes for preparation of multigroup libraries of covariance information for individual isotopes from the basic 44-group library of SCALE-6 code system were developed. A 69-group library of covariance information in a special format for main isotopes and elements typical for high temperature gas cooled reactors (HTGR) was generated. This library can be used for estimation of uncertainties, associated with nuclear data, in analysis of HTGR neutron physics with design codes. As an example, calculations of one-group cross-section uncertainties for fission and capture reactions for main isotopes of the MHTGR-350 benchmark, as well as uncertainties of the multiplication factor (k∞) for the MHTGR-350 fuel compact cell model and fuel block model were performed. These uncertainties were estimated by the developed technology with the use of WIMS-D code and modules of SCALE-6 code system, namely, by TSUNAMI, KENO-VI and SAMS. Eight most important reactions on isotopes for MHTGR-350 benchmark were identified, namely: 10B(capt), 238U(n,γ), ν5, 235U(n,γ), 238U(el), natC(el), 235U(fiss)-235U(n,γ), 235U(fiss).

Comparison with simulations to experimental data for photo-neutron reactions using SPring-8 Injector

NASA Astrophysics Data System (ADS)

Asano, Yoshihiro

2017-09-01

Simulations of photo-nuclear reactions by using Monte Carlo codes PHITS and FLUKA have been performed to compare to the measured data at the SPring-8 injector with 250MeV and 961MeV electrons. Measurement data of Bismuth-206 productions due to photo-nuclear reactions of 209Bi(γ,3n) 206Bi and high energy neutron reactions of 209Bi(n,4n)206 Bi at the beam dumps have been compared with the simulations. Neutron leakage spectra outside the shield wall are also compared between experiments and simulations.

Feasibility study of nuclear transmutation by negative muon capture reaction using the PHITS code

NASA Astrophysics Data System (ADS)

Abe, Shin-ichiro; Sato, Tatsuhiko

2016-06-01

Feasibility of nuclear transmutation of fission products in high-level radioactive waste by negative muon capture reaction is investigated using the Particle and Heave Ion Transport code System (PHITS). It is found that about 80 % of stopped negative muons contribute to transmute target nuclide into stable or short-lived nuclide in the case of 135Cs, which is one of the most important nuclide in the transmutation. The simulation result also indicates that the position of transmutation is controllable by changing the energy of incident negative muon. Based on our simulation, it takes approximately 8.5 × 108years to transmute 500 g of 135Cs by negative muon beam with the highest intensity currently available.

Nuclear Reaction Models Responsible for Simulation of Neutron-induced Soft Errors in Microelectronics

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

Watanabe, Y., E-mail: watanabe@aees.kyushu-u.ac.jp; Abe, S.

Terrestrial neutron-induced soft errors in MOSFETs from a 65 nm down to a 25 nm design rule are analyzed by means of multi-scale Monte Carlo simulation using the PHITS-HyENEXSS code system. Nuclear reaction models implemented in PHITS code are validated by comparisons with experimental data. From the analysis of calculated soft error rates, it is clarified that secondary He and H ions provide a major impact on soft errors with decreasing critical charge. It is also found that the high energy component from 10 MeV up to several hundreds of MeV in secondary cosmic-ray neutrons has the most significant sourcemore » of soft errors regardless of design rule.« less

Amino acid fermentation at the origin of the genetic code

PubMed Central

2012-01-01

There is evidence that the genetic code was established prior to the existence of proteins, when metabolism was powered by ribozymes. Also, early proto-organisms had to rely on simple anaerobic bioenergetic processes. In this work I propose that amino acid fermentation powered metabolism in the RNA world, and that this was facilitated by proto-adapters, the precursors of the tRNAs. Amino acids were used as carbon sources rather than as catalytic or structural elements. In modern bacteria, amino acid fermentation is known as the Stickland reaction. This pathway involves two amino acids: the first undergoes oxidative deamination, and the second acts as an electron acceptor through reductive deamination. This redox reaction results in two keto acids that are employed to synthesise ATP via substrate-level phosphorylation. The Stickland reaction is the basic bioenergetic pathway of some bacteria of the genus Clostridium. Two other facts support Stickland fermentation in the RNA world. First, several Stickland amino acid pairs are synthesised in abiotic amino acid synthesis. This suggests that amino acids that could be used as an energy substrate were freely available. Second, anticodons that have complementary sequences often correspond to amino acids that form Stickland pairs. The main hypothesis of this paper is that pairs of complementary proto-adapters were assigned to Stickland amino acids pairs. There are signatures of this hypothesis in the genetic code. Furthermore, it is argued that the proto-adapters formed double strands that brought amino acid pairs into proximity to facilitate their mutual redox reaction, structurally constraining the anticodon pairs that are assigned to these amino acid pairs. Significance tests which randomise the code are performed to study the extent of the variability of the energetic (ATP) yield. Random assignments can lead to a substantial yield of ATP and maintain enough variability, thus selection can act and refine the assignments into a proto-code that optimises the energetic yield. Monte Carlo simulations are performed to evaluate the establishment of these simple proto-codes, based on amino acid substitutions and codon swapping. In all cases, donor amino acids are assigned to anticodons composed of U+G, and have low redundancy (1-2 codons), whereas acceptor amino acids are assigned to the the remaining codons. These bioenergetic and structural constraints allow for a metabolic role for amino acids before their co-option as catalyst cofactors. Reviewers: this article was reviewed by Prof. William Martin, Prof. Eörs Szathmáry (nominated by Dr. Gáspár Jékely) and Dr. Ádám Kun (nominated by Dr. Sandor Pongor) PMID:22325238

Orion Service Module Reaction Control System Plume Impingement Analysis Using PLIMP/RAMP2

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen J.; Gati, Frank; Yuko, James R.; Motil, Brian J.; Lumpkin, Forrest E.

2009-01-01

The Orion Crew Exploration Vehicle Service Module Reaction Control System engine plume impingement was computed using the plume impingement program (PLIMP). PLIMP uses the plume solution from RAMP2, which is the refined version of the reacting and multiphase program (RAMP) code. The heating rate and pressure (force and moment) on surfaces or components of the Service Module were computed. The RAMP2 solution of the flow field inside the engine and the plume was compared with those computed using GASP, a computational fluid dynamics code, showing reasonable agreement. The computed heating rate and pressure using PLIMP were compared with the Reaction Control System plume model (RPM) solution and the plume impingement dynamics (PIDYN) solution. RPM uses the GASP-based plume solution, whereas PIDYN uses the SCARF plume solution. Three sets of the heating rate and pressure solutions agree well. Further thermal analysis on the avionic ring of the Service Module showed that thermal protection is necessary because of significant heating from the plume.

Nuclear reaction measurements on tissue-equivalent materials and GEANT4 Monte Carlo simulations for hadrontherapy

NASA Astrophysics Data System (ADS)

De Napoli, M.; Romano, F.; D'Urso, D.; Licciardello, T.; Agodi, C.; Candiano, G.; Cappuzzello, F.; Cirrone, G. A. P.; Cuttone, G.; Musumarra, A.; Pandola, L.; Scuderi, V.

2014-12-01

When a carbon beam interacts with human tissues, many secondary fragments are produced into the tumor region and the surrounding healthy tissues. Therefore, in hadrontherapy precise dose calculations require Monte Carlo tools equipped with complex nuclear reaction models. To get realistic predictions, however, simulation codes must be validated against experimental results; the wider the dataset is, the more the models are finely tuned. Since no fragmentation data for tissue-equivalent materials at Fermi energies are available in literature, we measured secondary fragments produced by the interaction of a 55.6 MeV u-1 12C beam with thick muscle and cortical bone targets. Three reaction models used by the Geant4 Monte Carlo code, the Binary Light Ions Cascade, the Quantum Molecular Dynamic and the Liege Intranuclear Cascade, have been benchmarked against the collected data. In this work we present the experimental results and we discuss the predictive power of the above mentioned models.

Measurement of pion induced neutron-production double-differential cross sections on Fe and Pb at 870 MeV and 2.1 GeV

NASA Astrophysics Data System (ADS)

Iwamoto, Y.; Shigyo, N.; Satoh, D.; Kunieda, S.; Watanabe, T.; Ishimoto, S.; Tenzou, H.; Maehata, K.; Ishibashi, K.; Nakamoto, T.; Numajiri, M.; Meigo, S.; Takada, H.

2004-08-01

Neutron-production double-differential cross sections for 870 MeV π+ and π- and 2.1 GeV π+ mesons incident on iron and lead targets were measured with NE213 liquid scintillators by time-of-flight technique. NE213 liquid scintillators 12.7 cm in diameter and 12.7 cm thick were placed in directions of 15, 30, 60, 90, 120, and 150° . The typical flight path length was 1.5 m . Neutron detection efficiencies were evaluated by calculation results of SCINFUL and CECIL codes. The experimental results were compared with JAERI quantum molecular dynamics code. For the meson incident reactions, adoption of NN in-medium effects was slightly useful for reproducing 870 MeV π+ -incident neutron yields at neutron energies of 10 30 MeV , as was the case for proton incident reactions. The π- incident reaction generates more neutrons than π+ incidence as the number of nucleons in targets decrease.

Neutron-Encoded Protein Quantification by Peptide Carbamylation

NASA Astrophysics Data System (ADS)

Ulbrich, Arne; Merrill, Anna E.; Hebert, Alexander S.; Westphall, Michael S.; Keller, Mark P.; Attie, Alan D.; Coon, Joshua J.

2014-01-01

We describe a chemical tag for duplex proteome quantification using neutron encoding (NeuCode). The method utilizes the straightforward, efficient, and inexpensive carbamylation reaction. We demonstrate the utility of NeuCode carbamylation by accurately measuring quantitative ratios from tagged yeast lysates mixed in known ratios and by applying this method to quantify differential protein expression in mice fed a either control or high-fat diet.

The numerical modelling of MHD astrophysical flows with chemistry

NASA Astrophysics Data System (ADS)

Kulikov, I.; Chernykh, I.; Protasov, V.

2017-10-01

The new code for numerical simulation of magnetic hydrodynamical astrophysical flows with consideration of chemical reactions is given in the paper. At the heart of the code - the new original low-dissipation numerical method based on a combination of operator splitting approach and piecewise-parabolic method on the local stencil. The chemodynamics of the hydrogen while the turbulent formation of molecular clouds is modeled.

Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

NASA Astrophysics Data System (ADS)

Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

2016-04-01

A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter and inorganic carbon in the aqueous and gaseous phases, as well as different decomposition functions with first-order, linear dependence or nonlinear dependence on a biomass pool. In addition, we show how processes such as local bioturbation (bio-diffusion) can be included implicitly through a Fickian formulation of transport of soil organic matter. Coupling soil organic matter models with generic and flexible reactive transport codes offers a valuable tool to enhance insights into coupled physico-chemical processes at different scales within the scope of C-biogeochemical cycles, possibly linked with other chemical elements such as plant nutrients and pollutants.

Sensitivity of the Oxford Foot Model to marker misplacement: A systematic single-case investigation.

PubMed

Carty, Christopher P; Walsh, Henry P J; Gillett, Jarred G

2015-09-01

The purpose of this paper was to systematically assess the effect of Oxford Foot Model (OFM) marker misplacement on hindfoot relative to tibia, and forefoot relative to hindfoot kinematic calculations during the stance phase of gait. Marker trajectories were recorded with an 8-camera motion analysis system (Vicon Motion Systems Ltd., UK) and ground reaction forces were recorded from three force platforms (AMTI, USA). A custom built marker cluster consisting of 4 markers in a square arrangement (diagonal distance 2 cm) was used to assess the effect of marker misplacement in the superior, inferior, anterior and posterior direction for the sustentaculum tali (STL), the proximal 1st metatarsal (P1M), distal 5th metatarsal (D5M), proximal 5th metatarsal (P5M) and lateral calcaneus (LCA) markers. In addition manual movement of the heel complex 1 cm superiorly, inferiorly, medially and laterally, and also an alignment error of 10° inversion and 10° eversion was assessed. Clinically meaningful effects of marker misplacement were determined using a threshold indicating the minimal clinically important difference. Misplacement of the heel-wand complex had the most pronounced effect on mean kinematic profiles during the stance phase across all degrees-of-freedom with respect to hindfoot-tibia and forefoot-hindfoot angles. Vertical marker misplacement of the D5M and P5M markers affected the sagittal plane, and to a lesser extent frontal plane, forefoot-hindfoot kinematics. In conclusion, the OFM is highly sensitive to misplacement of the heel-wand complex in all directions and the P5M marker in the vertical direction. Crown Copyright © 2015. Published by Elsevier B.V. All rights reserved.

Developing Chemistry and Kinetic Modeling Tools for Low-Temperature Plasma Simulations

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Beckwith, Kris; Davidson, Bradley; Kruger, Scott; Pankin, Alexei; Roark, Christine; Stoltz, Peter

2015-09-01

We discuss the use of proper orthogonal decomposition (POD) methods in VSim, a FDTD plasma simulation code capable of both PIC/MCC and fluid modeling. POD methods efficiently generate smooth representations of noisy self-consistent or test-particle PIC data, and are thus advantageous in computing macroscopic fluid quantities from large PIC datasets (e.g. for particle-based closure computations) and in constructing optimal visual representations of the underlying physics. They may also confer performance advantages for massively parallel simulations, due to the significant reduction in dataset sizes conferred by truncated singular-value decompositions of the PIC data. We also demonstrate how complex LTP chemistry scenarios can be modeled in VSim via an interface with MUNCHKIN, a developing standalone python/C++/SQL code that identifies reaction paths for given input species, solves 1D rate equations for the time-dependent chemical evolution of the system, and generates corresponding VSim input blocks with appropriate cross-sections/reaction rates. MUNCHKIN also computes reaction rates from user-specified distribution functions, and conducts principal path analyses to reduce the number of simulated chemical reactions. Supported by U.S. Department of Energy SBIR program, Award DE-SC0009501.

Sputtering, Plasma Chemistry, and RF Sheath Effects in Low-Temperature and Fusion Plasma Modeling

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Kruger, Scott E.; McGugan, James M.; Pankin, Alexei Y.; Roark, Christine M.; Smithe, David N.; Stoltz, Peter H.

2016-09-01

A new sheath boundary condition has been implemented in VSim, a plasma modeling code which makes use of both PIC/MCC and fluid FDTD representations. It enables physics effects associated with DC and RF sheath formation - local sheath potential evolution, heat/particle fluxes, and sputtering effects on complex plasma-facing components - to be included in macroscopic-scale plasma simulations that need not resolve sheath scale lengths. We model these effects in typical ICRF antenna operation scenarios on the Alcator C-Mod fusion device, and present comparisons of our simulation results with experimental data together with detailed 3D animations of antenna operation. Complex low-temperature plasma chemistry modeling in VSim is facilitated by MUNCHKIN, a standalone python/C++/SQL code that identifies possible reaction paths for a given set of input species, solves 1D rate equations for the ensuing system's chemical evolution, and generates VSim input blocks with appropriate cross-sections/reaction rates. These features, as well as principal path analysis (to reduce the number of simulated chemical reactions while retaining accuracy) and reaction rate calculations from user-specified distribution functions, will also be demonstrated. Supported by the U.S. Department of Energy's SBIR program, Award DE-SC0009501.

SURFACE CHEMKIN-III: A Fortran package for analyzing heterogeneous chemical kinetics at a solid-surface - gas-phase interface

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

Coltrin, M.E.; Kee, R.J.; Rupley, F.M.

1996-05-01

This document is the user`s manual for the SURFACE CHEMKIN-III package. Together with CHEMKIN-III, this software facilitates the formation, solution, and interpretation of problems involving elementary heterogeneous and gas-phase chemical kinetics in the presence of a solid surface. The package consists of two major software components: an Interpreter and a Surface Subroutine Library. The Interpreter is a program that reads a symbolic description of a user-specified chemical reaction mechanism. One output from the Interpreter is a data file that forms a link to the Surface Subroutine Library, which is a collection of about seventy modular Fortran subroutines that may bemore » called from a user`s application code to return information on chemical production rates and thermodynamic properties. This version of SURFACE CHEMKIN-III includes many modifications to allow treatment of multi-fluid plasma systems, for example modeling the reactions of highly energetic ionic species with a surface. Optional rate expressions allow reaction rates to depend upon ion energy rather than a single thermodynamic temperature. In addition, subroutines treat temperature as an array, allowing an application code to define a different temperature for each species. This version of SURFACE CHEMKIN-III allows use of real (non-integer) stoichiometric coefficients; the reaction order with respect to species concentrations can also be specified independent of the reaction`s stoichiometric coefficients. Several different reaction mechanisms can be specified in the Interpreter input file through the new construct of multiple materials.« less

Reactive Fluid Flow and Applications to Diagenesis, Mineral Deposits, and Crustal Rocks

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

Rye, Danny M.; Bolton, Edward W.

2002-11-04

The objective is to initiate new: modeling of coupled fluid flow and chemical reactions of geologic environments; experimental and theoretical studies of water-rock reactions; collection and interpretation of stable isotopic and geochemical field data at many spatial scales of systems involving fluid flow and reaction in environments ranging from soils to metamorphic rocks. Theoretical modeling of coupled fluid flow and chemical reactions, involving kinetics, has been employed to understand the differences between equilibrium, steady-state, and non-steady-state behavior of the chemical evolution of open fluid-rock systems. The numerical codes developed in this project treat multi-component, finite-rate reactions combined with advective andmore » dispersive transport in multi-dimensions. The codes incorporate heat, mass, and isotopic transfer in both porous and fractured media. Experimental work has obtained the kinetic rate laws of pertinent silicate-water reactions and the rates of Sr release during chemical weathering. Ab-initio quantum mechanical techniques have been applied to obtain the kinetics and mechanisms of silicate surface reactions and isotopic exchange between water and dissolved species. Geochemical field-based studies were carried out on the Wepawaug metamorphic schist, on the Irish base-metal sediment-hosted ore system, in the Dalradian metamorphic complex in Scotland, and on weathering in the Columbia River flood basalts. The geochemical and isotopic field data, and the experimental and theoretical rate data, were used as constraints on the numerical models and to determine the length and time scales relevant to each of the field areas.« less

Solute transport with equilibrium aqueous complexation and either sorption or ion exchange: Simulation methodology and applications

USGS Publications Warehouse

Lewis, F.M.; Voss, C.I.; Rubin, J.

1987-01-01

Methodologies that account for specific types of chemical reactions in the simulation of solute transport can be developed so they are compatible with solution algorithms employed in existing transport codes. This enables the simulation of reactive transport in complex multidimensional flow regimes, and provides a means for existing codes to account for some of the fundamental chemical processes that occur among transported solutes. Two equilibrium-controlled reaction systems demonstrate a methodology for accommodating chemical interaction into models of solute transport. One system involves the sorption of a given chemical species, as well as two aqueous complexations in which the sorbing species is a participant. The other reaction set involves binary ion exchange coupled with aqueous complexation involving one of the exchanging species. The methodology accommodates these reaction systems through the addition of nonlinear terms to the transport equations for the sorbing species. Example simulation results show (1) the effect equilibrium chemical parameters have on the spatial distributions of concentration for complexing solutes; (2) that an interrelationship exists between mechanical dispersion and the various reaction processes; (3) that dispersive parameters of the porous media cannot be determined from reactive concentration distributions unless the reaction is accounted for or the influence of the reaction is negligible; (4) how the concentration of a chemical species may be significantly affected by its participation in an aqueous complex with a second species which also sorbs; and (5) that these coupled chemical processes influencing reactive transport can be demonstrated in two-dimensional flow regimes. ?? 1987.

SkyNet: A Modular Nuclear Reaction Network Library

NASA Astrophysics Data System (ADS)

Lippuner, Jonas; Roberts, Luke F.

2017-12-01

Almost all of the elements heavier than hydrogen that are present in our solar system were produced by nuclear burning processes either in the early universe or at some point in the life cycle of stars. In all of these environments, there are dozens to thousands of nuclear species that interact with each other to produce successively heavier elements. In this paper, we present SkyNet, a new general-purpose nuclear reaction network that evolves the abundances of nuclear species under the influence of nuclear reactions. SkyNet can be used to compute the nucleosynthesis evolution in all astrophysical scenarios where nucleosynthesis occurs. SkyNet is free and open source, and aims to be easy to use and flexible. Any list of isotopes can be evolved, and SkyNet supports different types of nuclear reactions. SkyNet is modular so that new or existing physics, like nuclear reactions or equations of state, can easily be added or modified. Here, we present in detail the physics implemented in SkyNet with a focus on a self-consistent transition to and from nuclear statistical equilibrium to non-equilibrium nuclear burning, our implementation of electron screening, and coupling of the network to an equation of state. We also present comprehensive code tests and comparisons with existing nuclear reaction networks. We find that SkyNet agrees with published results and other codes to an accuracy of a few percent. Discrepancies, where they exist, can be traced to differences in the physics implementations.

Theoretical and computer models of detonation in solid explosives

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

Tarver, C.M.; Urtiew, P.A.

1997-10-01

Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states,more » which have been demonstrated to rapidly equilibrate via supercollisions. Embedded gauge and Fabry-Perot techniques measure the rates of reaction product expansion as thermal and chemical equilibrium is approached. Detonation reaction zone lengths in carbon-rich condensed phase explosives depend on the relatively slow formation of solid graphite or diamond. The Ignition and Growth reactive flow model based on pressure dependent reaction rates and Jones-Wilkins-Lee (JWL) equations of state has reproduced this nanosecond time resolved experimental data and thus has yielded accurate average reaction zone descriptions in one-, two- and three- dimensional hydrodynamic code calculations. The next generation reactive flow model requires improved equations of state and temperature dependent chemical kinetics. Such a model is being developed for the ALE3D hydrodynamic code, in which heat transfer and Arrhenius kinetics are intimately linked to the hydrodynamics.« less

Premotor neural correlates of predictive motor timing for speech production and hand movement: evidence for a temporal predictive code in the motor system.

PubMed

Johari, Karim; Behroozmand, Roozbeh

2017-05-01

The predictive coding model suggests that neural processing of sensory information is facilitated for temporally-predictable stimuli. This study investigated how temporal processing of visually-presented sensory cues modulates movement reaction time and neural activities in speech and hand motor systems. Event-related potentials (ERPs) were recorded in 13 subjects while they were visually-cued to prepare to produce a steady vocalization of a vowel sound or press a button in a randomized order, and to initiate the cued movement following the onset of a go signal on the screen. Experiment was conducted in two counterbalanced blocks in which the time interval between visual cue and go signal was temporally-predictable (fixed delay at 1000 ms) or unpredictable (variable between 1000 and 2000 ms). Results of the behavioral response analysis indicated that movement reaction time was significantly decreased for temporally-predictable stimuli in both speech and hand modalities. We identified premotor ERP activities with a left-lateralized parietal distribution for hand and a frontocentral distribution for speech that were significantly suppressed in response to temporally-predictable compared with unpredictable stimuli. The premotor ERPs were elicited approximately -100 ms before movement and were significantly correlated with speech and hand motor reaction times only in response to temporally-predictable stimuli. These findings suggest that the motor system establishes a predictive code to facilitate movement in response to temporally-predictable sensory stimuli. Our data suggest that the premotor ERP activities are robust neurophysiological biomarkers of such predictive coding mechanisms. These findings provide novel insights into the temporal processing mechanisms of speech and hand motor systems.

Copper benchmark experiment for the testing of JEFF-3.2 nuclear data for fusion applications

NASA Astrophysics Data System (ADS)

Angelone, M.; Flammini, D.; Loreti, S.; Moro, F.; Pillon, M.; Villar, R.; Klix, A.; Fischer, U.; Kodeli, I.; Perel, R. L.; Pohorecky, W.

2017-09-01

A neutronics benchmark experiment on a pure Copper block (dimensions 60 × 70 × 70 cm3) aimed at testing and validating the recent nuclear data libraries for fusion applications was performed in the frame of the European Fusion Program at the 14 MeV ENEA Frascati Neutron Generator (FNG). Reaction rates, neutron flux spectra and doses were measured using different experimental techniques (e.g. activation foils techniques, NE213 scintillator and thermoluminescent detectors). This paper first summarizes the analyses of the experiment carried-out using the MCNP5 Monte Carlo code and the European JEFF-3.2 library. Large discrepancies between calculation (C) and experiment (E) were found for the reaction rates both in the high and low neutron energy range. The analysis was complemented by sensitivity/uncertainty analyses (S/U) using the deterministic and Monte Carlo SUSD3D and MCSEN codes, respectively. The S/U analyses enabled to identify the cross sections and energy ranges which are mostly affecting the calculated responses. The largest discrepancy among the C/E values was observed for the thermal (capture) reactions indicating severe deficiencies in the 63,65Cu capture and elastic cross sections at lower rather than at high energy. Deterministic and MC codes produced similar results. The 14 MeV copper experiment and its analysis thus calls for a revision of the JEFF-3.2 copper cross section and covariance data evaluation. A new analysis of the experiment was performed with the MCNP5 code using the revised JEFF-3.3-T2 library released by NEA and a new, not yet distributed, revised JEFF-3.2 Cu evaluation produced by KIT. A noticeable improvement of the C/E results was obtained with both new libraries.

Role of Amines in Adhesion of Polybutadiene to Glass Substrates. II. Reactions of Amines with Triethylsilanol and/or Fumed Silica.

DTIC Science & Technology

1982-10-01

Schmidt I Dr. F. Roberto 1 Assistant Secretary of the Navy Code AFRPL MKPA (RE, and S) Room SE 731 Edwards AFE, CA 93523 Pentagon Washington, D.C...Force Office of’Sctentific Office of Naval Research Research odie 43 vDirectorate of Chemical Sciences CodeA l V 22217 " Bolling Air Force Base Arlington

Analysis of Effectiveness of Phoenix Entry Reaction Control System

NASA Technical Reports Server (NTRS)

Dyakonov, Artem A.; Glass, Christopher E.; Desai, Prasun, N.; VanNorman, John W.

2008-01-01

Interaction between the external flowfield and the reaction control system (RCS) thruster plumes of the Phoenix capsule during entry has been investigated. The analysis covered rarefied, transitional, hypersonic and supersonic flight regimes. Performance of pitch, yaw and roll control authority channels was evaluated, with specific emphasis on the yaw channel due to its low nominal yaw control authority. Because Phoenix had already been constructed and its RCS could not be modified before flight, an assessment of RCS efficacy along the trajectory was needed to determine possible issues and to make necessary software changes. Effectiveness of the system at various regimes was evaluated using a hybrid DSMC-CFD technique, based on DSMC Analysis Code (DAC) code and General Aerodynamic Simulation Program (GASP), the LAURA (Langley Aerothermal Upwind Relaxation Algorithm) code, and the FUN3D (Fully Unstructured 3D) code. Results of the analysis at hypersonic and supersonic conditions suggest a significant aero-RCS interference which reduced the efficacy of the thrusters and could likely produce control reversal. Very little aero-RCS interference was predicted in rarefied and transitional regimes. A recommendation was made to the project to widen controller system deadbands to minimize (if not eliminate) the use of RCS thrusters through hypersonic and supersonic flight regimes, where their performance would be uncertain.

Quartz crystal microbalance detection of DNA single-base mutation based on monobase-coded cadmium tellurium nanoprobe.

PubMed

Zhang, Yuqin; Lin, Fanbo; Zhang, Youyu; Li, Haitao; Zeng, Yue; Tang, Hao; Yao, Shouzhuo

2011-01-01

A new method for the detection of point mutation in DNA based on the monobase-coded cadmium tellurium nanoprobes and the quartz crystal microbalance (QCM) technique was reported. A point mutation (single-base, adenine, thymine, cytosine, and guanine, namely, A, T, C and G, mutation in DNA strand, respectively) DNA QCM sensor was fabricated by immobilizing single-base mutation DNA modified magnetic beads onto the electrode surface with an external magnetic field near the electrode. The DNA-modified magnetic beads were obtained from the biotin-avidin affinity reaction of biotinylated DNA and streptavidin-functionalized core/shell Fe(3)O(4)/Au magnetic nanoparticles, followed by a DNA hybridization reaction. Single-base coded CdTe nanoprobes (A-CdTe, T-CdTe, C-CdTe and G-CdTe, respectively) were used as the detection probes. The mutation site in DNA was distinguished by detecting the decreases of the resonance frequency of the piezoelectric quartz crystal when the coded nanoprobe was added to the test system. This proposed detection strategy for point mutation in DNA is proved to be sensitive, simple, repeatable and low-cost, consequently, it has a great potential for single nucleotide polymorphism (SNP) detection. 2011 © The Japan Society for Analytical Chemistry

Evaluation of Finite-Rate Gas/Surface Interaction Models for a Carbon Based Ablator

NASA Technical Reports Server (NTRS)

Chen, Yih-Kanq; Goekcen, Tahir

2015-01-01

Two sets of finite-rate gas-surface interaction model between air and the carbon surface are studied. The first set is an engineering model with one-way chemical reactions, and the second set is a more detailed model with two-way chemical reactions. These two proposed models intend to cover the carbon surface ablation conditions including the low temperature rate-controlled oxidation, the mid-temperature diffusion-controlled oxidation, and the high temperature sublimation. The prediction of carbon surface recession is achieved by coupling a material thermal response code and a Navier-Stokes flow code. The material thermal response code used in this study is the Two-dimensional Implicit Thermal-response and Ablation Program, which predicts charring material thermal response and shape change on hypersonic space vehicles. The flow code solves the reacting full Navier-Stokes equations using Data Parallel Line Relaxation method. Recession analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities with heat fluxes ranging from 45 to 1100 wcm2 are performed and compared with data for model validation. The ablating material used in these arc-jet tests is Phenolic Impregnated Carbon Ablator. Additionally, computational predictions of surface recession and shape change are in good agreement with measurement for arc-jet conditions of Small Probe Reentry Investigation for Thermal Protection System Engineering.

Aerodynamic Interference Due to MSL Reaction Control System

NASA Technical Reports Server (NTRS)

Dyakonov, Artem A.; Schoenenberger, Mark; Scallion, William I.; VanNorman, John W.; Novak, Luke A.; Tang, Chun Y.

2009-01-01

An investigation of effectiveness of the reaction control system (RCS) of Mars Science Laboratory (MSL) entry capsule during atmospheric flight has been conducted. The reason for the investigation is that MSL is designed to fly a lifting actively guided entry with hypersonic bank maneuvers, therefore an understanding of RCS effectiveness is required. In the course of the study several jet configurations were evaluated using Langley Aerothermal Upwind Relaxation Algorithm (LAURA) code, Data Parallel Line Relaxation (DPLR) code, Fully Unstructured 3D (FUN3D) code and an Overset Grid Flowsolver (OVERFLOW) code. Computations indicated that some of the proposed configurations might induce aero-RCS interactions, sufficient to impede and even overwhelm the intended control torques. It was found that the maximum potential for aero-RCS interference exists around peak dynamic pressure along the trajectory. Present analysis largely relies on computational methods. Ground testing, flight data and computational analyses are required to fully understand the problem. At the time of this writing some experimental work spanning range of Mach number 2.5 through 4.5 has been completed and used to establish preliminary levels of confidence for computations. As a result of the present work a final RCS configuration has been designed such as to minimize aero-interference effects and it is a design baseline for MSL entry capsule.

Influence of audio triggered emotional attention on video perception

NASA Astrophysics Data System (ADS)

Torres, Freddy; Kalva, Hari

2014-02-01

Perceptual video coding methods attempt to improve compression efficiency by discarding visual information not perceived by end users. Most of the current approaches for perceptual video coding only use visual features ignoring the auditory component. Many psychophysical studies have demonstrated that auditory stimuli affects our visual perception. In this paper we present our study of audio triggered emotional attention and it's applicability to perceptual video coding. Experiments with movie clips show that the reaction time to detect video compression artifacts was longer when video was presented with the audio information. The results reported are statistically significant with p=0.024.

Chromium and titanium isotopes produced in photonuclear reactions of vanadium, revisited

NASA Astrophysics Data System (ADS)

Sakamoto, K.; Yoshida, M.; Kubota, Y.; Fukasawa, T.; Kunugise, A.; Hamajima, Y.; Shibata, S.; Fujiwara, I.

1989-10-01

Photonuclear production yields of 51Ti und 51,49,48Cr from 51V were redetermined for bremsstrahlung end-point energies ( E0) of 30 to 1000 or 1050 MeV with the aid of radiochemical separation of Cr. The yield curves for 51Ti, 51Cr, 49Cr and 48Cr show a clear evidence for two components in the production process; one tor secondary-proton reactions at E0 < Qπ and the other for photopion reactions, at E0 > Q, Qπ being Q-values for (γ, π +) and ( γ, π+xn) reactions. The contributions of the secondary reactions for production of the Ti and Cr isotopes at E0 > Qπ were then estimated by fitting calculated secondary yields to the observed ones at E0 < Qπ, and found to be about 40%, 20%, 4% and 4% for 51Ti, 51Cr, 49Cr and 48Cr, respectively, at E0 = 400 to 1000 MeV. The calculation of the secondary yields was based on the excitation functions for 51V(n, p) and (p, x'n) calculated with the ALICE code and the reported photoneutron and photoproton spectra from 12C and some other complex nuclei. The present results for 49Cr are close to the reported ones, while the present 48Cr yields differ by a factor of about 50. For the 51Ti and 51Cr yields, there are some discrepancies between the present and reported ones. The yield corrected for the secondaries, in units of μb/equivalent quantum, were unfolded into cross sections per photon, in units of μb, as a function ol monochromatic photon energy with the LOUHI-82 code. The results for the 51Ti and 49Cr are in disagreement in both the magnitude and shape with the theoretical predictions based on DWIA and PWIA. A Monte Carlo calculation based on the PICA code by Gabriel and Alsmiller does reproduce the gross feature of the present results.

Coupled-channel analyses on 16O + 147,148,150,152,154Sm heavy-ion fusion reactions

NASA Astrophysics Data System (ADS)

Erol, Burcu; Yılmaz, Ahmet Hakan

2018-02-01

Heavy-ion collisons are typically characterized by the presence of many open reaction channels. In the energies around the Coulomb barrier, the main processes are elastic scattering, inelastic excitations of low-lying modes and fusion operations of one or two nuclei. The fusion process is generally defined as the effect of one-dimensional barrier penetration model, taking scattering potential as the sum of Coulomb and proximity potential. We have performed heay-ion fusion reactions with coupled-channel (CC) calculations. Coupled-channel formalism is carried out under barrier energy in heavy-ion fusion reactions. In this work fusion cross sections have been calculated and analyzed in detail for the five systems 16O + 147,148,150,152,154sm in the framework of coupled-channel approach (using the codes CCFUS and CCDEF) and Wong Formula. Calculated results are compared with experimental data, CC calculations using code CCFULL and with the cross section datas taken from `nrv'. CCDEF, CCFULL and Wong Formula explains the fusion reactions of heavy-ions very well, while using the scattering potential as WOODS-SAXON volume potential with Akyuz-Winther parameters. It was observed that AW potential parameters are able to reproduce the experimentally observed fusion cross sections reasonably well for these systems. There is a good agreement between the calculated results with the experimental and nrv[8] results.

Assessment and Requirements of Nuclear Reaction Databases for GCR Transport in the Atmosphere and Structures

NASA Technical Reports Server (NTRS)

Cucinotta, F. A.; Wilson, J. W.; Shinn, J. L.; Tripathi, R. K.

1998-01-01

The transport properties of galactic cosmic rays (GCR) in the atmosphere, material structures, and human body (self-shielding) am of interest in risk assessment for supersonic and subsonic aircraft and for space travel in low-Earth orbit and on interplanetary missions. Nuclear reactions, such as knockout and fragmentation, present large modifications of particle type and energies of the galactic cosmic rays in penetrating materials. We make an assessment of the current nuclear reaction models and improvements in these model for developing required transport code data bases. A new fragmentation data base (QMSFRG) based on microscopic models is compared to the NUCFRG2 model and implications for shield assessment made using the HZETRN radiation transport code. For deep penetration problems, the build-up of light particles, such as nucleons, light clusters and mesons from nuclear reactions in conjunction with the absorption of the heavy ions, leads to the dominance of the charge Z = 0, 1, and 2 hadrons in the exposures at large penetration depths. Light particles are produced through nuclear or cluster knockout and in evaporation events with characteristically distinct spectra which play unique roles in the build-up of secondary radiation's in shielding. We describe models of light particle production in nucleon and heavy ion induced reactions and make an assessment of the importance of light particle multiplicity and spectral parameters in these exposures.

APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

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

Nguyen, H.D.

1991-11-01

Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a ``glass like`` material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

APOLLO: A computer program for the calculation of chemical equilibrium and reaction kinetics of chemical systems

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

Nguyen, H.D.

1991-11-01

Several of the technologies being evaluated for the treatment of waste material involve chemical reactions. Our example is the in situ vitrification (ISV) process where electrical energy is used to melt soil and waste into a glass like'' material that immobilizes and encapsulates any residual waste. During the ISV process, various chemical reactions may occur that produce significant amounts of products which must be contained and treated. The APOLLO program was developed to assist in predicting the composition of the gases that are formed. Although the development of this program was directed toward ISV applications, it should be applicable tomore » other technologies where chemical reactions are of interest. This document presents the mathematical methodology of the APOLLO computer code. APOLLO is a computer code that calculates the products of both equilibrium and kinetic chemical reactions. The current version, written in FORTRAN, is readily adaptable to existing transport programs designed for the analysis of chemically reacting flow systems. Separate subroutines EQREACT and KIREACT for equilibrium ad kinetic chemistry respectively have been developed. A full detailed description of the numerical techniques used, which include both Lagrange multiplies and a third-order integrating scheme is presented. Sample test problems are presented and the results are in excellent agreement with those reported in the literature.« less

A comprehensive model to determine the effects of temperature and species fluctuations on reaction rates in turbulent reaction flows

NASA Technical Reports Server (NTRS)

Magnotti, F.; Diskin, G.; Matulaitis, J.; Chinitz, W.

1984-01-01

The use of silane (SiH4) as an effective ignitor and flame stabilizing pilot fuel is well documented. A reliable chemical kinetic mechanism for prediction of its behavior at the conditions encountered in the combustor of a SCRAMJET engine was calculated. The effects of hydrogen addition on hydrocarbon ignition and flame stabilization as a means for reduction of lengthy ignition delays and reaction times were studied. The ranges of applicability of chemical kinetic models of hydrogen-air combustors were also investigated. The CHARNAL computer code was applied to the turbulent reaction rate modeling.

Mass correlation between light and heavy reaction products in multinucleon transfer 197Au+130Te collisions

NASA Astrophysics Data System (ADS)

Galtarossa, F.; Corradi, L.; Szilner, S.; Fioretto, E.; Pollarolo, G.; Mijatović, T.; Montanari, D.; Ackermann, D.; Bourgin, D.; Courtin, S.; Fruet, G.; Goasduff, A.; Grebosz, J.; Haas, F.; Jelavić Malenica, D.; Jeong, S. C.; Jia, H. M.; John, P. R.; Mengoni, D.; Milin, M.; Montagnoli, G.; Scarlassara, F.; Skukan, N.; Soić, N.; Stefanini, A. M.; Strano, E.; Tokić, V.; Ur, C. A.; Valiente-Dobón, J. J.; Watanabe, Y. X.

2018-05-01

We studied multinucleon transfer reactions in the 197Au+130Te system at Elab=1.07 GeV by employing the PRISMA magnetic spectrometer coupled to a coincident detector. For each light fragment we constructed, in coincidence, the distribution in mass of the heavy partner of the reaction. With a Monte Carlo method, starting from the binary character of the reaction, we simulated the de-excitation process of the produced heavy fragments to be able to understand their final mass distribution. The total cross sections for pure neutron transfer channels have also been extracted and compared with calculations performed with the grazing code.

Analysis of multi-fragmentation reactions induced by relativistic heavy ions using the statistical multi-fragmentation model

NASA Astrophysics Data System (ADS)

Ogawa, T.; Sato, T.; Hashimoto, S.; Niita, K.

2013-09-01

The fragmentation cross-sections of relativistic energy nucleus-nucleus collisions were analyzed using the statistical multi-fragmentation model (SMM) incorporated with the Monte-Carlo radiation transport simulation code particle and heavy ion transport code system (PHITS). Comparison with the literature data showed that PHITS-SMM reproduces fragmentation cross-sections of heavy nuclei at relativistic energies better than the original PHITS by up to two orders of magnitude. It was also found that SMM does not degrade the neutron production cross-sections in heavy ion collisions or the fragmentation cross-sections of light nuclei, for which SMM has not been benchmarked. Therefore, SMM is a robust model that can supplement conventional nucleus-nucleus reaction models, enabling more accurate prediction of fragmentation cross-sections.

(86)Y production via (86)Sr(p,n) for PET imaging at a cyclotron.

PubMed

Sadeghi, M; Aboudzadeh, M; Zali, A; Zeinali, B

2009-01-01

Excitation functions of (86)Y production via (86)Sr(p,xn), (86)Sr(d,xn), (85)Rb(alpha,xn), (85)Rb((3)He,xn), and (nat)Zr(d,alphaxn) reactions were studied by means of ALICE-ASH code and the results were compared with ALICE-91 code and experimental data. The greatest nuclear reaction of cyclotron (86)Y production was found out as (86)Sr(p,n)(86)Y process. (86)Y production yield was calculated too. A SrCO(3) thick film was deposited on a copper substrate by sedimentation method. The deposited (nat)SrCO(3) was irradiated with 15MeV proton at 30microA current beam. The separation of Y from Cu and Sr was carried out by means of dual ion exchange chromatography.

A Qualitative Report of the Ways High School Chemistry Students Attempt to Represent a Chemical Reaction at the Atomic/Molecular Level

ERIC Educational Resources Information Center

Kern, Anne L.; Wood, Nathan B.; Roehrig, Gillian H.; Nyachwaya, James

2010-01-01

We report the findings of a large-scale (n = 1,337) qualitative descriptive analysis of U.S. high schools students' particulate representations of a chemical reaction, specifically, the combustion of methane. Data were collected as part of an end of course exam. Student representations were coded into 17 distinct subcategories under one of five…

Astrophysical factors: Zero energy vs most effective energy

NASA Astrophysics Data System (ADS)

Liolios, Theodore E.

2001-07-01

Effective astrophysical factors for nonresonant astrophysical nuclear reaction are usually calculated with respect to a zero-energy limit. In the present work that limit is shown to be very disadvantageous compared to the more natural effective-energy limit. The latter is used in order to modify the thermonuclear reaction rate formula in stellar evolution codes so that it takes into account both plasma and laboratory screening effects.

76 FR 68511 - STP Nuclear Operating Company; South Texas Project, Units 1 and 2; Exemption

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-04

... reactor located in Matagorda County in Texas. 2.0 Request/Action Pursuant to Title 10 of the Code of... from the metal/water reaction. The Baker-Just equation assumes the use of zircaloy or ZIRLO \\TM\\, which... underlying purpose of 10 CFR part 50, appendix K, Section I.A.5, ``Metal-Water Reaction Rate,'' is to ensure...

Level density inputs in nuclear reaction codes and the role of the spin cutoff parameter

DOE PAGES

Voinov, A. V.; Grimes, S. M.; Brune, C. R.; ...

2014-09-03

Here, the proton spectrum from the 57Fe(α,p) reaction has been measured and analyzed with the Hauser-Feshbach model of nuclear reactions. Different input level density models have been tested. It was found that the best description is achieved with either Fermi-gas or constant temperature model functions obtained by fitting them to neutron resonance spacing and to discrete levels and using the spin cutoff parameter with much weaker excitation energy dependence than it is predicted by the Fermi-gas model.

Incorporation of the statistical multi-fragmentation model in PHITS and its application for simulation of fragmentation by heavy ions and protons

NASA Astrophysics Data System (ADS)

Ogawa, Tatsuhiko; Sato, Tatsuhiko; Hashimoto, Shintaro; Niita, Koji

2014-06-01

The fragmentation reactions of relativistic-energy nucleus-nucleus and proton-nucleus collisions were simulated using the Statistical Multi-fragmentation Model (SMM) incorporated with the Particle and Heavy Ion Transport code System (PHITS). The comparisons of calculated cross-sections with literature data showed that PHITS-SMM predicts the fragmentation cross-sections of heavy nuclei up to two orders of magnitude more accurately than PHITS for heavy-ion-induced reactions. For proton-induced reactions, noticeable improvements are observed for interactions of the heavy target with protons at an energy greater than 1 GeV. Therefore, consideration for multi-fragmentation reactions is necessary for the accurate simulation of energetic fragmentation reactions of heavy nuclei.

JPRS Report East Asia Southeast Asia

DTIC Science & Technology

1987-07-08

funds to sustain the market, buying interest generated by the blue chips and investors’ longer-term view of the market occur at the same time, the bull...Yearend (MALAYA, 19 Jun 87) 62 Manila Stock Market Surges to Record Highs (Raul Mercelo; THE MANILA CHRONICLE, 18 Jun 87)... 63 - c - STAR...Reports Mixed Reactions to Investment Code (Chito Lozada; THE PHILIPPINE STAR, 12 Jun 87) 65 MANILA BULLETIN Hails Approval of Investment Code

Suite of Benchmark Tests to Conduct Mesh-Convergence Analysis of Nonlinear and Non-constant Coefficient Transport Codes

NASA Astrophysics Data System (ADS)

Zamani, K.; Bombardelli, F. A.

2014-12-01

Verification of geophysics codes is imperative to avoid serious academic as well as practical consequences. In case that access to any given source code is not possible, the Method of Manufactured Solution (MMS) cannot be employed in code verification. In contrast, employing the Method of Exact Solution (MES) has several practical advantages. In this research, we first provide four new one-dimensional analytical solutions designed for code verification; these solutions are able to uncover the particular imperfections of the Advection-diffusion-reaction equation, such as nonlinear advection, diffusion or source terms, as well as non-constant coefficient equations. After that, we provide a solution of Burgers' equation in a novel setup. Proposed solutions satisfy the continuity of mass for the ambient flow, which is a crucial factor for coupled hydrodynamics-transport solvers. Then, we use the derived analytical solutions for code verification. To clarify gray-literature issues in the verification of transport codes, we designed a comprehensive test suite to uncover any imperfection in transport solvers via a hierarchical increase in the level of tests' complexity. The test suite includes hundreds of unit tests and system tests to check vis-a-vis the portions of the code. Examples for checking the suite start by testing a simple case of unidirectional advection; then, bidirectional advection and tidal flow and build up to nonlinear cases. We design tests to check nonlinearity in velocity, dispersivity and reactions. The concealing effect of scales (Peclet and Damkohler numbers) on the mesh-convergence study and appropriate remedies are also discussed. For the cases in which the appropriate benchmarks for mesh convergence study are not available, we utilize symmetry. Auxiliary subroutines for automation of the test suite and report generation are designed. All in all, the test package is not only a robust tool for code verification but it also provides comprehensive insight on the ADR solvers capabilities. Such information is essential for any rigorous computational modeling of ADR equation for surface/subsurface pollution transport. We also convey our experiences in finding several errors which were not detectable with routine verification techniques.

Effects of positioning on radiographic measurements of ankle morphology: a computerized tomography-based simulation study

PubMed Central

2013-01-01

Background Measurements of the morphology of the ankle joint, performed mostly for surgical planning of total ankle arthroplasty and for collecting data for total ankle prosthesis design, are often made on planar radiographs, and therefore can be very sensitive to the positioning of the joint during imaging. The current study aimed to compare ankle morphological measurements using CT-generated 2D images with gold standard values obtained from 3D CT data; to determine the sensitivity of the 2D measurements to mal-positioning of the ankle during imaging; and to quantify the repeatability of the 2D measurements under simulated positioning conditions involving random errors. Method Fifty-eight cadaveric ankles fixed in the neutral joint position (standard pose) were CT scanned, and the data were used to simulate lateral and frontal radiographs under various positioning conditions using digitally reconstructed radiographs (DRR). Results and discussion In the standard pose for imaging, most ankle morphometric parameters measured using 2D images were highly correlated (R > 0.8) to the gold standard values defined by the 3D CT data. For measurements made on the lateral views, the only parameters sensitive to rotational pose errors were longitudinal distances between the most anterior and the most posterior points of the tibial mortise and the tibial profile, which have important implications for determining the optimal cutting level of the bone during arthroplasty. Measurements of the trochlea tali width on the frontal views underestimated the standard values by up to 31.2%, with only a moderate reliability, suggesting that pre-surgical evaluations based on the trochlea tali width should be made with caution in order to avoid inappropriate selection of prosthesis sizes. Conclusions While highly correlated with 3D morphological measurements, some 2D measurements were affected by the bone poses in space during imaging, which may affect surgical decision-making in total ankle arthroplasty, including the amount of bone resection and the selection of the implant sizes. The linear regression equations for the relationship between 2D and 3D measurements will be helpful for correcting the errors in 2D morphometric measurements for clinical applications. PMID:24359413

Characterization of plastic deformation and chemical reaction in titanium-polytetrafluoroethylene mixture

NASA Astrophysics Data System (ADS)

Davis, Jeffery Jon

1998-09-01

The subject of this dissertation is the deformation process of a single metal - polymer system (titanium - polytetrafluoroethylene) and how this process leads to initiation of chemical reaction. Several different kinds of experiments were performed to characterize the behavior of this material to shock and impact. These mechanical conditions induce a rapid plastic deformation of the sample. All of the samples tested had an initial porosity which increased the plastic flow condition. It is currently believed that during the deformation process two important conditions occur: removal of the oxide layer from the metal and decomposition of the polymer. These conditions allow for rapid chemical reaction. The research from this dissertation has provided insight into the complex behavior of plastic deformation and chemical reactions in titanium - polytetrafluoroethylene (PTFE, Teflon). A hydrodynamic computational code was used to model the plastic flow for correlation with the results from the experiments. The results from this work are being used to develop an ignition and growth model for metal/polymer systems. Three sets of experiments were used to examine deformation of the 80% Ti and 20% Teflon materials: drop- weight, gas gun, and split-Hopkinson pressure bar. Recovery studies included post shot analysis of the samples using x-ray diffraction. Lagrangian hydrocode DYNA2D modeling of the drop-weight tests was performed for comparison with experiments. One of the reactions know to occur is Ti + C → TiC (s) which results in an exothermic release. However, the believed initial reactions occur between Ti and fluorine which produces TixFy gases. The thermochemical code CHEETAH was used to investigate the detonation products and concentrations possible during Ti - Teflon reaction. CHEETAH shows that the Ti - fluorine reactions are thermodynamically favorable. This research represents the most comprehensive to date study of deformation induced chemical reaction in metal/polymers.

The minimal autopoietic unit.

PubMed

Luisi, Pier Luigi

2014-12-01

It is argued that closed, cell-like compartments, may have existed in prebiotic time, showing a simplified metabolism which was bringing about a primitive form of stationary state- a kind of homeostasis. The autopoietic primitive cell can be taken as an example and there are preliminary experimental data supporting the possible existence of this primitive form of cell activity. The genetic code permits, among other things, the continuous self-reproduction of proteins; enzymic proteins permit the synthesis of nucleic acids, and in this way there is a perfect recycling between the two most important classes of biopolymers in our life. On the other hand, the genetic code is a complex machinery, which cannot be posed at the very early time of the origin of life. And the question then arises, whether some form of alternative beginning, prior to the genetic code, would have been possible: and this is the core of the question asked. Is something with the flavor of early life conceivable, prior to the genetic code? My answer is positive, although I am too well aware that the term "conceivable" does not mean that this something is easily to be performed experimentally. To illustrate my answer, I would first go back to the operational description of cellular life as given by the theory of autopoiesis. Accordingly, a living cell is an open system capable of self-maintenance, due to a process of internal self-regeneration of the components, all within a boundary which is itself product from within. This is a universal code, valid not only for a cell, but for any living macroscopic entity, as no living system exists on Earth which does not obey this principle. In this definition (or better operational description) there is no mention of DNA or genetic code. I added in that definition the term "open system"-which is not present in the primary literature (Varela, et al., 1974) to make clear that every living system is indeed an open system-without this addition, it may seem that with autopoiesis we are dealing with a perpetuum mobile, against the second principle of thermodynamics. Now consider the following figure (Fig. 1). It represents in a very schematic form a cell, as an open system, with a semipermeable membrane constituted by the chemical S, which permits the entrance of the nutrient A and the elimination of the decay product P. A is transformed inside the cell into S by a chemical reaction characterized by kgen, and S can be transformed into P by the reaction kdec. The two reactions actually may represent two entire families of reaction, in the sense that one can envisage several A and several S and several P.

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)

Relativistic three-dimensional Lippmann-Schwinger cross sections for space radiation applications

NASA Astrophysics Data System (ADS)

Werneth, C. M.; Xu, X.; Norman, R. B.; Maung, K. M.

2017-12-01

Radiation transport codes require accurate nuclear cross sections to compute particle fluences inside shielding materials. The Tripathi semi-empirical reaction cross section, which includes over 60 parameters tuned to nucleon-nucleus (NA) and nucleus-nucleus (AA) data, has been used in many of the world's best-known transport codes. Although this parameterization fits well to reaction cross section data, the predictive capability of any parameterization is questionable when it is used beyond the range of the data to which it was tuned. Using uncertainty analysis, it is shown that a relativistic three-dimensional Lippmann-Schwinger (LS3D) equation model based on Multiple Scattering Theory (MST) that uses 5 parameterizations-3 fundamental parameterizations to nucleon-nucleon (NN) data and 2 nuclear charge density parameterizations-predicts NA and AA reaction cross sections as well as the Tripathi cross section parameterization for reactions in which the kinetic energy of the projectile in the laboratory frame (TLab) is greater than 220 MeV/n. The relativistic LS3D model has the additional advantage of being able to predict highly accurate total and elastic cross sections. Consequently, it is recommended that the relativistic LS3D model be used for space radiation applications in which TLab > 220MeV /n .

Iron Catalyst Chemistry in High Pressure Carbon Monoxide Nanotube Reactor

NASA Technical Reports Server (NTRS)

Scott, Carl D.; Povitsky, Alexander; Dateo, Christopher; Gokcen, Tahir; Smalley, Richard E.

2001-01-01

The high-pressure carbon monoxide (HiPco) technique for producing single wall carbon nanotubes (SWNT) is analyzed using a chemical reaction model coupled with properties calculated along streamlines. Streamline properties for mixing jets are calculated by the FLUENT code using the k-e turbulent model for pure carbon monixide. The HiPco process introduces cold iron pentacarbonyl diluted in CO, or alternatively nitrogen, at high pressure, ca. 30 atmospheres into a conical mixing zone. Hot CO is also introduced via three jets at angles with respect to the axis of the reactor. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Cluster reaction rates are from Krestinin, et aI., based on shock tube measurements. Another model is from classical cluster theory given by Girshick's team. The calculations are performed on streamlines that assume that a cold mixture of Fe(CO)5 in CO is introduced along the reactor axis. Then iron forms clusters that catalyze the formation of SWNTs from the Boudouard reaction on Fe-containing clusters by reaction with CO. To simulate the chemical process along streamlines that were calculated by the fluid dynamics code FLUENT, a time history of temperature and dilution are determined along streamlines. Alternative catalyst injection schemes are also evaluated.

Orion Service Module Reaction Control System Plume Impingement Analysis Using PLIMP/RAMP2

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen; Lumpkin, Forrest E., III; Gati, Frank; Yuko, James R.; Motil, Brian J.

2009-01-01

The Orion Crew Exploration Vehicle Service Module Reaction Control System engine plume impingement was computed using the plume impingement program (PLIMP). PLIMP uses the plume solution from RAMP2, which is the refined version of the reacting and multiphase program (RAMP) code. The heating rate and pressure (force and moment) on surfaces or components of the Service Module were computed. The RAMP2 solution of the flow field inside the engine and the plume was compared with those computed using GASP, a computational fluid dynamics code, showing reasonable agreement. The computed heating rate and pressure using PLIMP were compared with the Reaction Control System plume model (RPM) solution and the plume impingement dynamics (PIDYN) solution. RPM uses the GASP-based plume solution, whereas PIDYN uses the SCARF plume solution. Three sets of the heating rate and pressure solutions agree well. Further thermal analysis on the avionic ring of the Service Module was performed using MSC Patran/Pthermal. The obtained temperature results showed that thermal protection is necessary because of significant heating from the plume.

New approach to description of (d,xn) spectra at energies below 50 MeV in Monte Carlo simulation by intra-nuclear cascade code with Distorted Wave Born Approximation

NASA Astrophysics Data System (ADS)

Hashimoto, S.; Iwamoto, Y.; Sato, T.; Niita, K.; Boudard, A.; Cugnon, J.; David, J.-C.; Leray, S.; Mancusi, D.

2014-08-01

A new approach to describing neutron spectra of deuteron-induced reactions in the Monte Carlo simulation for particle transport has been developed by combining the Intra-Nuclear Cascade of Liège (INCL) and the Distorted Wave Born Approximation (DWBA) calculation. We incorporated this combined method into the Particle and Heavy Ion Transport code System (PHITS) and applied it to estimate (d,xn) spectra on natLi, 9Be, and natC targets at incident energies ranging from 10 to 40 MeV. Double differential cross sections obtained by INCL and DWBA successfully reproduced broad peaks and discrete peaks, respectively, at the same energies as those observed in experimental data. Furthermore, an excellent agreement was observed between experimental data and PHITS-derived results using the combined method in thick target neutron yields over a wide range of neutron emission angles in the reactions. We also applied the new method to estimate (d,xp) spectra in the reactions, and discussed the validity for the proton emission spectra.

Post Launch Monitoring of food products: what can be learned from pharmacovigilance.

PubMed

van Puijenbroek, E P; Hepburn, P A; Herd, T M; van Grootheest, A C

2007-03-01

Post Launch Monitoring (PLM) is one of the new approaches that are used in assessing the safety of novel foods or ingredients. It shares a close resemblance with procedures applied in the field of medicines, where Post Marketing Surveillance (PMS) has been carried out since the beginning of the 1960s. For this reason, Unilever and the Netherlands Pharmacovigilance Centre Lareb, maintaining the national reporting scheme in the Netherlands for adverse drug reactions, have been working together to optimize the Unilever's Post Launch Monitoring service. As a result of this cooperation a practical model for conducting PLM for food products has been developed. This model is also applicable for consumer products in general. The system allows for coding and assessing reports and the early detection of 'signals' of unintended health reactions. The methodological issues surrounding reporting of possible health reactions and practical issues surrounding coding and assessment of the reports that were encountered in the first period of this partnership are discussed. In addition, similarities and differences concerning PMS and PLM are described.

I-NERI Quarterly Technical Report (April 1 to June 30, 2005)

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

Chang Oh; Prof. Hee Cheon NO; Prof. John Lee

2005-06-01

The objective of this Korean/United States/laboratory/university collaboration is to develop new advanced computational methods for safety analysis codes for very-high-temperature gas-cooled reactors (VHTGRs) and numerical and experimental validation of these computer codes. This study consists of five tasks for FY-03: (1) development of computational methods for the VHTGR, (2) theoretical modification of aforementioned computer codes for molecular diffusion (RELAP5/ATHENA) and modeling CO and CO2 equilibrium (MELCOR), (3) development of a state-of-the-art methodology for VHTGR neutronic analysis and calculation of accurate power distributions and decay heat deposition rates, (4) reactor cavity cooling system experiment, and (5) graphite oxidation experiment. Second quartermore » of Year 3: (A) Prof. NO and Kim continued Task 1. As a further plant application of GAMMA code, we conducted two analyses: IAEA GT-MHR benchmark calculation for LPCC and air ingress analysis for PMR 600MWt. The GAMMA code shows comparable peak fuel temperature trend to those of other country codes. The analysis results for air ingress show much different trend from that of previous PBR analysis: later onset of natural circulation and less significant rise in graphite temperature. (B) Prof. Park continued Task 2. We have designed new separate effect test device having same heat transfer area and different diameter and total number of U-bands of air cooling pipe. New design has smaller pressure drop in the air cooling pipe than the previous one as designed with larger diameter and less number of U-bands. With the device, additional experiments have been performed to obtain temperature distributions of the water tank, the surface and the center of cooling pipe on axis. The results will be used to optimize the design of SNU-RCCS. (C) Prof. NO continued Task 3. The experimental work of air ingress is going on without any concern: With nuclear graphite IG-110, various kinetic parameters and reaction rates for the C/CO2 reaction were measured. Then, the rates of C/CO2 reaction were compared to the ones of C/O2 reaction. The rate equation for C/CO2 has been developed. (D) INL added models to RELAP5/ATHENA to cacilate the chemical reactions in a VHTR during an air ingress accident. Limited testing of the models indicate that they are calculating a correct special distribution in gas compositions. (E) INL benchmarked NACOK natural circulation data. (F) Professor Lee et al at the University of Michigan (UM) Task 5. The funding was received from the DOE Richland Office at the end of May and the subcontract paperwork was delivered to the UM on the sixth of June. The objective of this task is to develop a state of the art neutronics model for determining power distributions and decay heat deposition rates in a VHTGR core. Our effort during the reporting period covered reactor physics analysis of coated particles and coupled nuclear-thermal-hydraulic (TH) calculations, together with initial calculations for decay heat deposition rates in the core.« less

Analytical modeling of intumescent coating thermal protection system in a JP-5 fuel fire environment

NASA Technical Reports Server (NTRS)

Clark, K. J.; Shimizu, A. B.; Suchsland, K. E.; Moyer, C. B.

1974-01-01

The thermochemical response of Coating 313 when exposed to a fuel fire environment was studied to provide a tool for predicting the reaction time. The existing Aerotherm Charring Material Thermal Response and Ablation (CMA) computer program was modified to treat swelling materials. The modified code is now designated Aerotherm Transient Response of Intumescing Materials (TRIM) code. In addition, thermophysical property data for Coating 313 were analyzed and reduced for use in the TRIM code. An input data sensitivity study was performed, and performance tests of Coating 313/steel substrate models were carried out. The end product is a reliable computational model, the TRIM code, which was thoroughly validated for Coating 313. The tasks reported include: generation of input data, development of swell model and implementation in TRIM code, sensitivity study, acquisition of experimental data, comparisons of predictions with data, and predictions with intermediate insulation.

R-Matrix Codes for Charged-Particle Induced Reactions in the Resolved Resonance Region (3), Summary Report of an IAEA Consultants' Meeting IAEA Headquarters, Vienna, Austria, 28-30 June 2017

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

Leeb, Helmut; Dimitriou, Paraskevi; Thompson, Ian

A Consultants Meeting was held at the IAEA Headquarters, from 28 to 30 June 2017, to discuss the results of a test exercise that had been defined and assigned to all participants of the previous meeting held in December 2016. Five codes were used in this exercise: AMUR, AZURE2, RAC, SFRESCO and SAMMY. The results obtained from these codes were compared and further actions were proposed. Participants’ presentations and technical discussions, as well as proposed additional actions have been summarized in this report.

Population-based drug-related anaphylaxis in children and adolescents captured by South Carolina Emergency Room Hospital Discharge Database (SCERHDD) (2000-2002).

PubMed

West, Suzanne L; D'Aloisio, Aimee A; Ringel-Kulka, Tamar; Waller, Anna E; Clayton Bordley, W

2007-12-01

Anaphylaxis is a life-threatening condition; drug-related anaphylaxis represents approximately 10% of all cases. We assessed the utility of a statewide emergency department (ED) database for identifying drug-related anaphylaxis in children by developing and validating an algorithm composed of ICD-9-CM codes. There were 1 314,760 visits to South Carolina (SC) emergency departments (EDs) for patients <19 years in 2000-2002. We used ICD-9-CM disease or external cause of injury codes (E-codes) that suggested drug-related anaphylaxis or a severe drug-related allergic reaction. We found 50 cases classifiable as probable or possible drug-related anaphylaxis and 13 as drug-related allergic reactions. We used clinical evaluation by two pediatricians as the 'alloyed gold standard'1 for estimating sensitivity, specificity, and positive predictive value (PPV) of our algorithm. ED-treated drug-related anaphylaxis in the SC pediatric population was 1.56/100,000 person-years based on the algorithm and 0.50/100,000 person-years based on clinical evaluation. Assuming the disease codes we used identified all potential anaphylaxis cases in the database, the sensitivity was 1.00 (95%CI: 0.79, 1.00), specificity was 0.28 (95%CI: 0.16, 0.43), and the PPV was 0.32 (0.20, 0.47) for the algorithm. Sensitivity analyses improved the measurement properties of the algorithm. E-codes were invaluable for developing an anaphylaxis algorithm although the frequently used code of E947.9 was often incorrectly applied. We believe that our algorithm may have over-ascertained drug-related anaphylaxis patients seen in an ED, but the clinical evaluation may have under-represented this diagnosis due to limited information on the offending agent in the abstracted ED records. Post-marketing drug surveillance using ED records may be viable if clinicians were to document drug-related anaphylaxis in the charts so that billing codes could be assigned properly. Copyright 2007 John Wiley & Sons, Ltd.

Kinetic calculations of explosives with slow-burning constituents

NASA Astrophysics Data System (ADS)

Howard, W. Michael; Souers, P. Clark; Fried, Laurence E.

1998-07-01

The equilibrium thermochemical code CHEETAH V1.40 has been modified to detonate part of the explosive and binder. An Einstein thermal description of the unreacted constituents is used, and the Einstein temperature may be increased to reduce heat absorption. We study the effect of the reactivity and thermal transport on the detonation velocity. Hydroxy-terminated-polybutadiene binders have low energy and density and would degrade the detonation velocity if they burned. Runs with unburned binder are closer to the measured values. Aluminum and ammonium perchlorate are also largely unburned within the sonic reaction zone that determines the detonation velocity. All three materials appear not to fully absorb heat as well. The normal assumption of total reaction in a thermochemical code is clearly not true for these special cases, where the detonation velocities have widely different values for different combinations of processes.

LINE: a code which simulates spectral line shapes for fusion reaction products generated by various speed distributions

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

Slaughter, D.

1985-03-01

A computer code is described which estimates the energy spectrum or ''line-shape'' for the charged particles and ..gamma..-rays produced by the fusion of low-z ions in a hot plasma. The simulation has several ''built-in'' ion velocity distributions characteristic of heated plasmas and it also accepts arbitrary speed and angular distributions although they must all be symmetric about the z-axis. An energy spectrum of one of the reaction products (ion, neutron, or ..gamma..-ray) is calculated at one angle with respect to the symmetry axis. The results are shown in tabular form, they are plotted graphically, and the moments of the spectrummore » to order ten are calculated both with respect to the origin and with respect to the mean.« less

Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

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

Agarwal, Vivek; Cai, Guowei; Gribok, Andrei V.

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presentedmore » in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.« less

Representing metabolic pathway information: an object-oriented approach.

PubMed

Ellis, L B; Speedie, S M; McLeish, R

1998-01-01

The University of Minnesota Biocatalysis/Biodegradation Database (UM-BBD) is a website providing information and dynamic links for microbial metabolic pathways, enzyme reactions, and their substrates and products. The Compound, Organism, Reaction and Enzyme (CORE) object-oriented database management system was developed to contain and serve this information. CORE was developed using Java, an object-oriented programming language, and PSE persistent object classes from Object Design, Inc. CORE dynamically generates descriptive web pages for reactions, compounds and enzymes, and reconstructs ad hoc pathway maps starting from any UM-BBD reaction. CORE code is available from the authors upon request. CORE is accessible through the UM-BBD at: http://www. labmed.umn.edu/umbbd/index.html.

Colour-barcoded magnetic microparticles for multiplexed bioassays.

PubMed

Lee, Howon; Kim, Junhoi; Kim, Hyoki; Kim, Jiyun; Kwon, Sunghoon

2010-09-01

Encoded particles have a demonstrated value for multiplexed high-throughput bioassays such as drug discovery and clinical diagnostics. In diverse samples, the ability to use a large number of distinct identification codes on assay particles is important to increase throughput. Proper handling schemes are also needed to readout these codes on free-floating probe microparticles. Here we create vivid, free-floating structural coloured particles with multi-axis rotational control using a colour-tunable magnetic material and a new printing method. Our colour-barcoded magnetic microparticles offer a coding capacity easily into the billions with distinct magnetic handling capabilities including active positioning for code readouts and active stirring for improved reaction kinetics in microscale environments. A DNA hybridization assay is done using the colour-barcoded magnetic microparticles to demonstrate multiplexing capabilities.

Fatal anaphylaxis registries data support changes in the who anaphylaxis mortality coding rules.

PubMed

Tanno, Luciana Kase; Simons, F Estelle R; Annesi-Maesano, Isabella; Calderon, Moises A; Aymé, Ségolène; Demoly, Pascal

2017-01-13

Anaphylaxis is defined as a severe life-threatening generalized or systemic hypersensitivity reaction. The difficulty of coding anaphylaxis fatalities under the World Health Organization (WHO) International Classification of Diseases (ICD) system is recognized as an important reason for under-notification of anaphylaxis deaths. On current death certificates, a limited number of ICD codes are valid as underlying causes of death, and death certificates do not include the word anaphylaxis per se. In this review, we provide evidences supporting the need for changes in WHO mortality coding rules and call for addition of anaphylaxis as an underlying cause of death on international death certificates. This publication will be included in support of a formal request to the WHO as a formal request for this move taking the 11 th ICD revision.

Reactive transport codes for subsurface environmental simulation

DOE PAGES

Steefel, C. I.; Appelo, C. A. J.; Arora, B.; ...

2014-09-26

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of themore » codes, along with a selective list of applications that highlight their capabilities and historical development.« less

Combined Uncertainty and A-Posteriori Error Bound Estimates for CFD Calculations: Theory and Implementation

NASA Technical Reports Server (NTRS)

Barth, Timothy J.

2014-01-01

Simulation codes often utilize finite-dimensional approximation resulting in numerical error. Some examples include, numerical methods utilizing grids and finite-dimensional basis functions, particle methods using a finite number of particles. These same simulation codes also often contain sources of uncertainty, for example, uncertain parameters and fields associated with the imposition of initial and boundary data,uncertain physical model parameters such as chemical reaction rates, mixture model parameters, material property parameters, etc.

Translational resistivity/conductivity of coding sequences during exponential growth of Escherichia coli.

PubMed

Takai, Kazuyuki

2017-01-21

Codon adaptation index (CAI) has been widely used for prediction of expression of recombinant genes in Escherichia coli and other organisms. However, CAI has no mechanistic basis that rationalizes its application to estimation of translational efficiency. Here, I propose a model based on which we could consider how codon usage is related to the level of expression during exponential growth of bacteria. In this model, translation of a gene is considered as an analog of electric current, and an analog of electric resistance corresponding to each gene is considered. "Translational resistance" is dependent on the steady-state concentration and the sequence of the mRNA species, and "translational resistivity" is dependent only on the mRNA sequence. The latter is the sum of two parts: one is the resistivity for the elongation reaction (coding sequence resistivity), and the other comes from all of the other steps of the decoding reaction. This electric circuit model clearly shows that some conditions should be met for codon composition of a coding sequence to correlate well with its expression level. On the other hand, I calculated relative frequency of each of the 61 sense codon triplets translated during exponential growth of E. coli from a proteomic dataset covering over 2600 proteins. A tentative method for estimating relative coding sequence resistivity based on the data is presented. Copyright © 2016. Published by Elsevier Ltd.

Reliability assessment of MVP-BURN and JENDL-4.0 related to nuclear transmutation of light platinum group elements

NASA Astrophysics Data System (ADS)

Terashima, Atsunori; Nilsson, Mikael; Ozawa, Masaki; Chiba, Satoshi

2017-09-01

The Aprés ORIENT research program, as a concept of advanced nuclear fuel cycle, was initiated in FY2011 aiming at creating stable, highly-valuable elements by nuclear transmutation from ↓ssion products. In order to simulate creation of such elements by (n, γ) reaction succeeded by β- decay in reactors, a continuous-energy Monte Carlo burnup calculation code MVP-BURN was employed. Then, it is one of the most important tasks to con↓rm the reliability of MVP-BURN code and evaluated neutron cross section library. In this study, both an experiment of neutron activation analysis in TRIGA Mark I reactor at University of California, Irvine and the corresponding burnup calculation using MVP-BURN code were performed for validation of the simulation on transmutation of light platinum group elements. Especially, some neutron capture reactions such as 102Ru(n, γ)103Ru, 104Ru(n, γ)105Ru, and 108Pd(n, γ)109Pd were dealt with in this study. From a comparison between the calculation (C) and the experiment (E) about 102Ru(n, γ)103Ru, the deviation (C/E-1) was signi↓cantly large. Then, it is strongly suspected that not MVP-BURN code but the neutron capture cross section of 102Ru belonging to JENDL-4.0 used in this simulation have made the big di↑erence as (C/E-1) >20%.

Update and evaluation of decay data for spent nuclear fuel analyses

NASA Astrophysics Data System (ADS)

Simeonov, Teodosi; Wemple, Charles

2017-09-01

Studsvik's approach to spent nuclear fuel analyses combines isotopic concentrations and multi-group cross-sections, calculated by the CASMO5 or HELIOS2 lattice transport codes, with core irradiation history data from the SIMULATE5 reactor core simulator and tabulated isotopic decay data. These data sources are used and processed by the code SNF to predict spent nuclear fuel characteristics. Recent advances in the generation procedure for the SNF decay data are presented. The SNF decay data includes basic data, such as decay constants, atomic masses and nuclide transmutation chains; radiation emission spectra for photons from radioactive decay, alpha-n reactions, bremsstrahlung, and spontaneous fission, electrons and alpha particles from radioactive decay, and neutrons from radioactive decay, spontaneous fission, and alpha-n reactions; decay heat production; and electro-atomic interaction data for bremsstrahlung production. These data are compiled from fundamental (ENDF, ENSDF, TENDL) and processed (ESTAR) sources for nearly 3700 nuclides. A rigorous evaluation procedure of internal consistency checks and comparisons to measurements and benchmarks, and code-to-code verifications is performed at the individual isotope level and using integral characteristics on a fuel assembly level (e.g., decay heat, radioactivity, neutron and gamma sources). Significant challenges are presented by the scope and complexity of the data processing, a dearth of relevant detailed measurements, and reliance on theoretical models for some data.

Comparing Different Strategies in Directed Evolution of Enzyme Stereoselectivity: Single- versus Double-Code Saturation Mutagenesis.

PubMed

Sun, Zhoutong; Lonsdale, Richard; Li, Guangyue; Reetz, Manfred T

2016-10-04

Saturation mutagenesis at sites lining the binding pockets of enzymes constitutes a viable protein engineering technique for enhancing or inverting stereoselectivity. Statistical analysis shows that oversampling in the screening step (the bottleneck) increases astronomically as the number of residues in the randomization site increases, which is the reason why reduced amino acid alphabets have been employed, in addition to splitting large sites into smaller ones. Limonene epoxide hydrolase (LEH) has previously served as the experimental platform in these methodological efforts, enabling comparisons between single-code saturation mutagenesis (SCSM) and triple-code saturation mutagenesis (TCSM); these employ either only one or three amino acids, respectively, as building blocks. In this study the comparative platform is extended by exploring the efficacy of double-code saturation mutagenesis (DCSM), in which the reduced amino acid alphabet consists of two members, chosen according to the principles of rational design on the basis of structural information. The hydrolytic desymmetrization of cyclohexene oxide is used as the model reaction, with formation of either (R,R)- or (S,S)-cyclohexane-1,2-diol. DCSM proves to be clearly superior to the likewise tested SCSM, affording both R,R- and S,S-selective mutants. These variants are also good catalysts in reactions of further substrates. Docking computations reveal the basis of enantioselectivity. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Particle induced nuclear reaction calculations of Boron target nuclei

NASA Astrophysics Data System (ADS)

Tel, Eyyup; Sahan, Muhittin; Sarpün, Ismail Hakki; Kavun, Yusuf; Gök, Ali Armagan; Poyraz, Meltem

2017-09-01

Boron is usable element in many areas such as health, industry and energy. Especially, Boron neutron capture therapy (BNCT) is one of the medical applications. Boron target is irradiated with low energy thermal neutrons and at the end of reactions alpha particles occur. After this process recoiling lithium-7 nuclei is composed. In this study, charge particle induced nuclear reactions calculations of Boron target nuclei were investigated in the incident proton and alpha energy range of 5-50 MeV. The excitation functions for 10B target nuclei reactions have been calculated by using PCROSS Programming code. The semi-empirical calculations for (p,α) reactions have been done by using cross section formula with new coefficient obtained by Tel et al. The calculated results were compared with the experimental data from the literature.

Pycellerator: an arrow-based reaction-like modelling language for biological simulations.

PubMed

Shapiro, Bruce E; Mjolsness, Eric

2016-02-15

We introduce Pycellerator, a Python library for reading Cellerator arrow notation from standard text files, conversion to differential equations, generating stand-alone Python solvers, and optionally running and plotting the solutions. All of the original Cellerator arrows, which represent reactions ranging from mass action, Michales-Menten-Henri (MMH) and Gene-Regulation (GRN) to Monod-Wyman-Changeaux (MWC), user defined reactions and enzymatic expansions (KMech), were previously represented with the Mathematica extended character set. These are now typed as reaction-like commands in ASCII text files that are read by Pycellerator, which includes a Python command line interface (CLI), a Python application programming interface (API) and an iPython notebook interface. Cellerator reaction arrows are now input in text files. The arrows are parsed by Pycellerator and translated into differential equations in Python, and Python code is automatically generated to solve the system. Time courses are produced by executing the auto-generated Python code. Users have full freedom to modify the solver and utilize the complete set of standard Python tools. The new libraries are completely independent of the old Cellerator software and do not require Mathematica. All software is available (GPL) from the github repository at https://github.com/biomathman/pycellerator/releases. Details, including installation instructions and a glossary of acronyms and terms, are given in the Supplementary information. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Cantera and Cantera Electrolyte Thermodynamics Objects

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

John Hewson, Harry Moffat

Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It is a multi-organizational effort to create and formulate high quality 0D and 1D constitutive modeling tools for reactive transport codes.Institutions involved with the effort include Sandia, MIT, Colorado School of Mines, U. Texas, NASA, and Oak Ridge National Labs. Specific to Sandia's contributions, the Cantera Electrolyte Thermo Objects (CETO) packages is comprised of add-on routines for Cantera that handle electrolyte thermochemistry and reactions within the overall Cantera package. Cantera is a C++ Cal Tech code that handles gas phase species transport, reaction,more » and thermodynamics. With this addition, Cantera can be extended to handle problems involving liquid phase reactions and transport in electrolyte systems, and phase equilibrium problemsinvolving concentrated electrolytes and gas/solid phases. A full treatment of molten salt thermodynamics and transport has also been implemented in CETO. The routines themselves consist of .cpp and .h files containing C++ objects that are derived from parent Cantera objects representing thermodynamic functions. They are linked unto the main Cantera libraries when requested by the user. As an addendum to the main thermodynamics objects, several utility applications are provided. The first is multiphase Gibbs free energy minimizer based on the vcs algorithm, called vcs_cantera. This code allows for the calculation of thermodynamic equilibrium in multiple phases at constant temperature and pressure. Note, a similar code capability exists already in Cantera. This version follows the same algorithm, but gas a different code-base starting point, and is used as a research tool for algorithm development. The second program, cttables, prints out tables of thermodynamic and kinetic information for thermodynamic and kinetic objects within Cantera. This program serves as a "Get the numbers out" utility for Cantera, and as such it is very useful as a verification tool. These add-on utilities are encapsulated into a directory structure named cantera_apps, whose installation uses autoconf and also utilizes Cantera's application environment (i.e., they utilize Cantera as a library).« less

Simplified Two-Time Step Method for Calculating Combustion and Emission Rates of Jet-A and Methane Fuel With and Without Water Injection

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2005-01-01

A simplified kinetic scheme for Jet-A, and methane fuels with water injection was developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) or even simple FORTRAN codes. The two time step method is either an initial time averaged value (step one) or an instantaneous value (step two). The switch is based on the water concentration in moles/cc of 1x10(exp -20). The results presented here results in a correlation that gives the chemical kinetic time as two separate functions. This two time step method is used as opposed to a one step time averaged method previously developed to determine the chemical kinetic time with increased accuracy. The first time averaged step is used at the initial times for smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, initial water to fuel mass ratio, temperature, and pressure. The second instantaneous step, to be used with higher water concentrations, gives the chemical kinetic time as a function of instantaneous fuel and water mole concentration, pressure and temperature (T4). The simple correlations would then be compared to the turbulent mixing times to determine the limiting rates of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide and NOx are obtained for Jet-A fuel and methane with and without water injection to water mass loadings of 2/1 water to fuel. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentrations of carbon monoxide and nitrogen oxide as functions of overall equivalence ratio, water to fuel mass ratio, pressure and temperature (T3). The temperature of the gas entering the turbine (T4) was also correlated as a function of the initial combustor temperature (T3), equivalence ratio, water to fuel mass ratio, and pressure.

A reactive flow model with coupled reaction kinetics for detonation and combustion in non-ideal explosives

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

Miller, P.J.

1996-07-01

A new reactive flow model for highly non-ideal explosives and propellants is presented. These compositions, which contain large amounts of metal, upon explosion have reaction kinetics that are characteristic of both fast detonation and slow metal combustion chemistry. A reaction model for these systems was incorporated into the two-dimensional, finite element, Lagrangian hydrodynamic code, DYNA2D. A description of how to determine the model parameters is given. The use of the model and variations are applied to AP, Al, and nitramine underwater explosive and propellant systems.

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

NASA Astrophysics Data System (ADS)

Gao, Connie W.; Allen, Joshua W.; Green, William H.; West, Richard H.

2016-06-01

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.

Coding the Assembly of Polyoxotungstates with a Programmable Reaction System.

PubMed

Ruiz de la Oliva, Andreu; Sans, Victor; Miras, Haralampos N; Long, De-Liang; Cronin, Leroy

2017-05-01

Chemical transformations are normally conducted in batch or flow mode, thereby allowing the chemistry to be temporally or spatially controlled, but these approaches are not normally combined dynamically. However, the investigation of the underlying chemistry masked by the self-assembly processes that often occur in one-pot reactions and exploitation of the potential of complex chemical systems requires control in both time and space. Additionally, maintaining the intermediate constituents of a self-assembled system "off equilibrium" and utilizing them dynamically at specific time intervals provide access to building blocks that cannot coexist under one-pot conditions and ultimately to the formation of new clusters. Herein, we implement the concept of a programmable networked reaction system, allowing us to connect discrete "one-pot" reactions that produce the building block{W 11 O 38 } ≡ {W 11 } under different conditions and control, in real time, the assembly of a series of polyoxometalate clusters {W 12 O 42 } ≡ {W 12 }, {W 22 O 74 } ≡ {W 22 } 1a, {W 34 O 116 } ≡ {W 34 } 2a, and {W 36 O 120 } ≡ {W 36 } 3a, using pH and ultraviolet-visible monitoring. The programmable networked reaction system reveals that is possible to assemble a range of different clusters using {W 11 }-based building blocks, demonstrating the relationship between the clusters within the family of iso-polyoxotungstates, with the final structural motif being entirely dependent on the building block libraries generated in each separate reaction space within the network. In total, this approach led to the isolation of five distinct inorganic clusters using a "fixed" set of reagents and using a fully automated sequence code, rather than five entirely different reaction protocols. As such, this approach allows us to discover, record, and implement complex one-pot reaction syntheses in a more general way, increasing the yield and reproducibility and potentially giving access to nonspecialists.

Coding the Assembly of Polyoxotungstates with a Programmable Reaction System

PubMed Central

2017-01-01

Chemical transformations are normally conducted in batch or flow mode, thereby allowing the chemistry to be temporally or spatially controlled, but these approaches are not normally combined dynamically. However, the investigation of the underlying chemistry masked by the self-assembly processes that often occur in one-pot reactions and exploitation of the potential of complex chemical systems requires control in both time and space. Additionally, maintaining the intermediate constituents of a self-assembled system “off equilibrium” and utilizing them dynamically at specific time intervals provide access to building blocks that cannot coexist under one-pot conditions and ultimately to the formation of new clusters. Herein, we implement the concept of a programmable networked reaction system, allowing us to connect discrete “one-pot” reactions that produce the building block{W11O38} ≡ {W11} under different conditions and control, in real time, the assembly of a series of polyoxometalate clusters {W12O42} ≡ {W12}, {W22O74} ≡ {W22} 1a, {W34O116} ≡ {W34} 2a, and {W36O120} ≡ {W36} 3a, using pH and ultraviolet–visible monitoring. The programmable networked reaction system reveals that is possible to assemble a range of different clusters using {W11}-based building blocks, demonstrating the relationship between the clusters within the family of iso-polyoxotungstates, with the final structural motif being entirely dependent on the building block libraries generated in each separate reaction space within the network. In total, this approach led to the isolation of five distinct inorganic clusters using a “fixed” set of reagents and using a fully automated sequence code, rather than five entirely different reaction protocols. As such, this approach allows us to discover, record, and implement complex one-pot reaction syntheses in a more general way, increasing the yield and reproducibility and potentially giving access to nonspecialists. PMID:28414229

GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

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

Huang, Hai; Spencer, Benjamin W.; Cai, Guowei

Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document themore » progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture/heat transfer module was implemented to simulate long-term spatial and temporal evolutions of the moisture and temperature fields within concrete structures at both room and elevated temperatures. The ASR swelling model implemented in GRIZZLY code can simulate anisotropic expansions of ASR gel under either uniaxial, biaxial and triaxial stress states, and can be run simultaneously with the moisture/heat transfer model and coupled with various elastic/inelastic solid mechanics models that were implemented in GRIZZLY code previously. This report provides detailed descriptions of the governing equations, constitutive equations and numerical algorithms of the three modules implemented in GRIZZLY during FY15, simulation results of example problems and model validation results by comparing simulations with available experimental data reported in the literature. The close match between the experiments and simulations clearly demonstrate the potential of GRIZZLY code for reliable evaluation and prediction of long-term performance and response of aged concrete structures in nuclear power plants.« less

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

DOE PAGES

Holland, Troy; Fletcher, Thomas H.

2017-02-22

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels inmore » the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.« less

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

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

Holland, Troy; Fletcher, Thomas H.

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels inmore » the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.« less

Measurement of charge- and mass-changing cross sections for 4He+12C collisions in the energy range 80-220 MeV/u for applications in ion beam therapy

NASA Astrophysics Data System (ADS)

Horst, Felix; Schuy, Christoph; Weber, Uli; Brinkmann, Kai-Thomas; Zink, Klemens

2017-08-01

4He ions are considered to be used for hadron radiotherapy due to their favorable physical and radiobiological properties. For an accurate dose calculation the fragmentation of the primary 4He ions occurring as a result of nuclear collisions must be taken into account. Therefore precise nuclear reaction models need to be implemented in the radiation transport codes used for dose calculation. A fragmentation experiment using thin graphite targets was conducted at the Heidelberg Ion Beam Therapy Center (HIT) to obtain new and precise 4He-nucleus cross section data in the clinically relevant energy range. Measured values for the charge-changing cross section, mass-changing cross section, as well as the inclusive 3He production cross section for 4He+12C collisions at energies between 80 and 220 MeV /u are presented. These data are compared to the 4He-nucleus reaction model by DeVries and Peng as well as to the parametrizations by Tripathi et al. and by Cucinotta et al., which are implemented in the treatment planning code trip98 and several other radiation transport codes.

Numerical approach to reference identification of Staphylococcus, Stomatococcus, and Micrococcus spp.

PubMed

Rhoden, D L; Hancock, G A; Miller, J M

1993-03-01

A numerical-code system for the reference identification of Staphylococcus species, Stomatococcus mucilaginosus, and Micrococcus species was established by using a selected panel of conventional biochemicals. Results from 824 cultures (289 eye isolate cultures, 147 reference strains, and 388 known control strains) were used to generate a list of 354 identification code numbers. Each six-digit code number was based on results from 18 conventional biochemical reactions. Seven milliliters of purple agar base with 1% sterile carbohydrate solution added was poured into 60-mm-diameter agar plates. All biochemical tests were inoculated with 1 drop of a heavy broth suspension, incubated at 35 degrees C, and read daily for 3 days. All reactions were read and interpreted by the method of Kloos et al. (G. A. Hebert, C. G. Crowder, G. A. Hancock, W. R. Jarvis, and C. Thornsberry, J. Clin. Microbiol. 26:1939-1949, 1988; W. E. Kloos and D. W. Lambe, Jr., P. 222-237, in A. Balows, W. J. Hansler, Jr., K. L. Herrmann, H. D. Isenberg, and H. J. Shadomy, ed., Manual of Clinical Microbiology, 5th ed., 1991). This modified reference identification method was 96 to 98% accurate and could have value in reference and public health laboratory settings.

Colloidal Assemblies Effect on Chemical Reactions.

DTIC Science & Technology

1986-07-01

JustIfloatIon By Availability Codes Avail and/or Dist Spoial (2) RESEARCH PLANS - Photodegradation of organic compounds by visible light. Other...distribution unlimited Participating scientific personel Edmondo PRAVAURO Associate Professor Claudio MINERO Associate Researcher op p LIST OF

Safety of the yellow Fever vaccine: a retrospective study.

PubMed

Nordin, James D; Parker, Emily D; Vazquez-Benitez, Gabriela; Kharbanda, Elyse O; Naleway, Allison; Marcy, S Michael; Molitor, Beth; Kuckler, Leslie; Baggs, James

2013-01-01

Yellow fever (YF) vaccine is considered safe; however, severe illness and death following vaccination have been reported. Vaccine Safety Datalink (VSD) and US Department of Defense (DoD) data were used to identify adverse reactions following YF vaccination. Within the VSD, YF-vaccine-exposed subjects were compared to age-, site-, and gender-matched unexposed subjects. YF-vaccine-exposed DoD subjects were studied using a risk-interval design. For both cohorts, ICD-9 codes were analyzed for allergic and local reactions, mild systemic reactions, and possible visceral and neurologic adverse events (AEs). The VSD cohort received 47,159 doses from 1991 through 2006. The DoD cohort received 1.12 million doses from 1999 through 2007. Most subjects received other vaccines simultaneously. In the VSD cohort, rates of allergic, local, and mild systemic reactions were not statistically different between YF-vaccine-exposed and -unexposed subjects. In the DoD, there was an increased risk for outpatient allergic events in the period following vaccination with YF and other vaccines rate ratios [RR 3.85, 95% confidence interval (CI) 3.35-4.41] but with no increased risk for inpatient allergic reactions. In both cohorts, inpatient ICD-9 codes for visceral events were significantly less common following vaccination; inpatient codes for neurologic events were less common in the VSD YF-vaccine-exposed adult cohort, but did not differ between exposed and unexposed periods in the DoD. In the DoD, one fatal case of YF-vaccine-associated viscerotropic disease (YF-vaccine-AVD) was detected. The estimated death rate was 0.89 for 1,000,000 YF vaccine doses (95% CI 0.12-6.31/1,000,000 doses). No YF vaccine-associated deaths occurred in the VSD. In these closed cohorts we did not detect increased risk for visceral or neurologic events following YF vaccination. The death rate following YF vaccine was consistent with previous reports. These data support current recommendations for use of YF vaccine in young healthy individuals. These data are inadequate to judge safety of YF vaccines in elderly patients. © 2013 International Society of Travel Medicine.

Language does not come "in boxes": Assessing discrepancies between adverse drug reactions spontaneous reporting and MedDRA® codes in European Portuguese.

PubMed

Inácio, Pedro; Airaksinen, Marja; Cavaco, Afonso

2015-01-01

The description of adverse drug reactions (ADRs) by health care professionals (HCPs) can be highly variable. This variation can affect the coding of a reaction with the Medical Dictionary for Regulatory Activities (MedDRA(®)), the gold standard for pharmacovigilance database entries. Ultimately, the strength of a safety signal can be compromised. The objective of this study was to assess: 1) participation of different HCPs in ADR reporting, and 2) variation of language used by HCPs when describing ADRs, and to compare it with the corresponding MedDRA(®) codes. A retrospective content analysis was performed, using the database of spontaneous reports submitted by HCPs in the region of the Southern Pharmacovigilance Unit, Portugal. Data retrieved consisted of the idiomatic description of all ADRs occurring in 2004 (first year of the Unit activity, n = 53) and in 2012 (n = 350). The agreement between the language used by HCPs and the MedDRA(®) dictionary codes was quantitatively assessed. From a total of 403 spontaneous reports received in the two years, 896 words describing ADRs were collected. HCPs presented different levels of pharmacovigilance participation and ADR idiomatic descriptions, with pharmacists providing the greatest overall contribution. The agreement between the language used in spontaneous reports and the corresponding MedDRA(®) terms varied by HCP background, with nurses presenting the poorer results than medical doctors and pharmacists when considering the dictionary as the gold standard in ADRs' language. Lexical accuracy and semantic variations exist between different HCP groups. These differences may interfere with the strength of a generated safety signal. Clinical and MedDRA(®) terminology training should be targeted to increase not only the frequency, but also the quality of spontaneous reports, in accordance with HCPs' experience and background. Copyright © 2015 Elsevier Inc. All rights reserved.

Development of a model and computer code to describe solar grade silicon production processes. [phase changes in chemical reactors

NASA Technical Reports Server (NTRS)

Gould, R. K.

1978-01-01

Mechanisms for the SiCl4/Na and SiF4/Na reaction systems were examined. Reaction schemes which include 25 elementary reactions were formulated for each system and run to test the sensitivity of the computed concentration and temperature profiles to the values given estimated rate coefficients. It was found that, for SiCl4/Na, the rate of production of free Si is largely mixing-limited for reasonable rate coefficient estimates. For the SiF4/Na system the results indicate that the endothermicities of many of the reactions involved in producing Si from SiF4/Na cause this system to be chemistry-limited rather than mixing-limited.

Selection and Evaluation of a Real Time Monitoring System for the Bigeye Bomb Fill/Close Production Facility. Phase 2

DTIC Science & Technology

1989-06-01

and ZIP Code ) 10 SOURCE OF FUNDING NU MBERS I O KUI PROGRAM PRO ECCT TASKWOKUI E L E M E N T N O . N O .I 1 2 0 N O A 5 A C C E S S I O N N OlI I1 TITLE... source of by-products formation. Generating Data for Mathematical Modeling of Real Vapor Phase Reaction Systems (tremendously speeds multi -level, multi ...SMCC-RI1 6c AD RS(Ciry,. State, and ZIP Code ) SCRRI 7b. ADDRESS (City, State, and ZIP Code ) IA!hrueýýt Proving Ground, MD 21010-54213 a.NMOFFUNI.DNG

Development of tools and techniques for momentum compression of fast rare isotopes

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

David J. Morrissey; Bradley M. Sherrill; Oleg Tarasov

2010-11-21

As part of our past research and development work, we have created and developed the LISE++ simulation code [Tar04, Tar08]. The LISE++ package was significantly extended with the addition of a Monte Carlo option that includes an option for calculating ion trajectories using a Taylor-series expansion up to fifth order, and implementation of the MOTER Monte Carlo code [Kow87] for ray tracing of the ions into the suite of LISE++ codes. The MOTER code was rewritten from FORTRAN into C++ and transported to the MS-Windows operating system. Extensive work went into the creation of a user-friendly interface for the code.more » An example of the graphical user interface created for the MOTER code is shown in the left panel of Figure 1 and the results of a typical calculation for the trajectories of particles that pass through the A1900 fragment separator are shown in the right panel. The MOTER code is presently included as part of the LISE++ package for downloading without restriction by the worldwide community. The LISE++ was extensively developed and generalized to apply to any projectile fragment separator during the early phase of this grant. In addition to the inclusion of the MOTER code, other important additions to the LISE++ code made during FY08/FY09 are listed. The LISE++ is distributed over the web (http://groups.nscl.msu.edu/lise ) and is available without charge to anyone by anonymous download, thus, the number of individual users is not recorded. The number of 'hits' on the servers that provide the LISE++ code is shown in Figure 3 for the last eight calendar years (left panel) along with the country from the IP address (right panel). The data show an increase in web-activity with the release of the new version of the program during the grant period and a worldwide impact. An important part of the proposed work carried out during FY07, FY08 and FY09 by a graduate student in the MSU Physics program was to benchmark the codes by comparison of detailed measurements to the LISE++ predictions. A large data set was obtained for fission fragments from the reaction of 238U ions at 81 MeV/u in a 92 mg/cm2 beryllium target with the A1900 projectile fragment separator. The data were analyzed and form the bulk of a Ph.D. dissertation that is nearing completion. The rich data set provides a number of benchmarks for the improved LISE++ code and only a few examples can be shown here. The primary information obtained from the measurements is the yield of the products as a function of mass, charge and momentum. Examples of the momentum distributions of individually identified fragments can be seen in Figures 2 and 4 along with comparisons to the predicted distributions. The agreement is remarkably good and indicates the general validity of the model of the nuclear reactions producing these fragments and of the higher order transmission calculations in the LISE++ code. The momentum distributions were integrated to provide the cross sections for the individual isotopes. As shown in Figure 5, there is good agreement with the model predictions although the observed cross sections are a factor of five or so higher in this case. Other comparisons of measured production cross sections from abrasion-fission reactions have been published by our group working at the NSCL during this period [Fol09] and through our collaboration with Japanese researchers working at RIKEN with the BigRIPS separator [Ohn08, Ohn10]. The agreement of the model predictions with the data obtained with two different fragment separators is very good and indicates the usefulness of the new LISE++ code.« less

The use of the SRIM code for calculation of radiation damage induced by neutrons

NASA Astrophysics Data System (ADS)

Mohammadi, A.; Hamidi, S.; Asadabad, Mohsen Asadi

2017-12-01

Materials subjected to neutron irradiation will being evolve to structural changes by the displacement cascades initiated by nuclear reaction. This study discusses a methodology to compute primary knock-on atoms or PKAs information that lead to radiation damage. A program AMTRACK has been developed for assessing of the PKAs information. This software determines the specifications of recoil atoms (using PTRAC card of MCNPX code) and also the kinematics of interactions. The deterministic method was used for verification of the results of (MCNPX+AMTRACK). The SRIM (formely TRIM) code is capable to compute neutron radiation damage. The PKAs information was extracted by AMTRACK program, which can be used as an input of SRIM codes for systematic analysis of primary radiation damage. Then the Bushehr Nuclear Power Plant (BNPP) radiation damage on reactor pressure vessel is calculated.

Transport of Light Ions in Matter

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Cucinotta, F. A.; Tai, H.; Shinn, J. L.; Chun, S. Y.; Tripathi, R. K.; Sihver, L.

1998-01-01

A recent set of light ion experiments are analyzed using the Green's function method of solving the Boltzmann equation for ions of high charge and energy (the GRNTRN transport code) and the NUCFRG2 fragmentation database generator code. Although the NUCFRG2 code reasonably represents the fragmentation of heavy ions, the effects of light ion fragmentation requires a more detailed nuclear model including shell structure and short range correlations appearing as tightly bound clusters in the light ion nucleus. The most recent NTJCFRG2 code is augmented with a quasielastic alpha knockout model and semiempirical adjustments (up to 30 percent in charge removal) in the fragmentation process allowing reasonable agreement with the experiments to be obtained. A final resolution of the appropriate cross sections must await the full development of a coupled channel reaction model in which shell structure and clustering can be accurately evaluated.

Methodologies for extracting kinetic constants for multiphase reacting flow simulation

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

Chang, S.L.; Lottes, S.A.; Golchert, B.

1997-03-01

Flows in industrial reactors often involve complex reactions of many species. A computational fluid dynamics (CFD) computer code, ICRKFLO, was developed to simulate multiphase, multi-species reacting flows. The ICRKFLO uses a hybrid technique to calculate species concentration and reaction for a large number of species in a reacting flow. This technique includes a hydrodynamic and reacting flow simulation with a small but sufficient number of lumped reactions to compute flow field properties followed by a calculation of local reaction kinetics and transport of many subspecies (order of 10 to 100). Kinetic rate constants of the numerous subspecies chemical reactions aremore » difficult to determine. A methodology has been developed to extract kinetic constants from experimental data efficiently. A flow simulation of a fluid catalytic cracking (FCC) riser was successfully used to demonstrate this methodology.« less

Computing the cross sections of nuclear reactions with nuclear clusters emission for proton energies between 30 MeV and 2.6 GeV

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

Korovin, Yu. A.; Maksimushkina, A. V., E-mail: AVMaksimushkina@mephi.ru; Frolova, T. A.

2016-12-15

The cross sections of nuclear reactions involving emission of clusters of light nuclei in proton collisions with a heavy-metal target are computed for incident-proton energies between 30 MeV and 2.6 GeV. The calculation relies on the ALICE/ASH and CASCADE/INPE computer codes. The parameters determining the pre-equilibrium cluster emission are varied in the computation.

Estimation of relative biological effectiveness for boron neutron capture therapy using the PHITS code coupled with a microdosimetric kinetic model

PubMed Central

Horiguchi, Hironori; Sato, Tatsuhiko; Kumada, Hiroaki; Yamamoto, Tetsuya; Sakae, Takeji

2015-01-01

Abstract The absorbed doses deposited by boron neutron capture therapy (BNCT) can be categorized into four components: α and 7Li particles from the 10B(n, α)7Li reaction, 0.54-MeV protons from the 14N(n, p)14C reaction, the recoiled protons from the 1H(n, n) 1H reaction, and photons from the neutron beam and 1H(n, γ)2H reaction. For evaluating the irradiation effect in tumors and the surrounding normal tissues in BNCT, it is of great importance to estimate the relative biological effectiveness (RBE) for each dose component in the same framework. We have, therefore, established a new method for estimating the RBE of all BNCT dose components on the basis of the microdosimetric kinetic model. This method employs the probability density of lineal energy, y, in a subcellular structure as the index for expressing RBE, which can be calculated using the microdosimetric function implemented in the particle transport simulation code (PHITS). The accuracy of this method was tested by comparing the calculated RBE values with corresponding measured data in a water phantom irradiated with an epithermal neutron beam. The calculation technique developed in this study will be useful for biological dose estimation in treatment planning for BNCT. PMID:25428243

Bacterial discrimination by means of a universal array approach mediated by LDR (ligase detection reaction)

PubMed Central

Busti, Elena; Bordoni, Roberta; Castiglioni, Bianca; Monciardini, Paolo; Sosio, Margherita; Donadio, Stefano; Consolandi, Clarissa; Rossi Bernardi, Luigi; Battaglia, Cristina; De Bellis, Gianluca

2002-01-01

Background PCR amplification of bacterial 16S rRNA genes provides the most comprehensive and flexible means of sampling bacterial communities. Sequence analysis of these cloned fragments can provide a qualitative and quantitative insight of the microbial population under scrutiny although this approach is not suited to large-scale screenings. Other methods, such as denaturing gradient gel electrophoresis, heteroduplex or terminal restriction fragment analysis are rapid and therefore amenable to field-scale experiments. A very recent addition to these analytical tools is represented by microarray technology. Results Here we present our results using a Universal DNA Microarray approach as an analytical tool for bacterial discrimination. The proposed procedure is based on the properties of the DNA ligation reaction and requires the design of two probes specific for each target sequence. One oligo carries a fluorescent label and the other a unique sequence (cZipCode or complementary ZipCode) which identifies a ligation product. Ligated fragments, obtained in presence of a proper template (a PCR amplified fragment of the 16s rRNA gene) contain either the fluorescent label or the unique sequence and therefore are addressed to the location on the microarray where the ZipCode sequence has been spotted. Such an array is therefore "Universal" being unrelated to a specific molecular analysis. Here we present the design of probes specific for some groups of bacteria and their application to bacterial diagnostics. Conclusions The combined use of selective probes, ligation reaction and the Universal Array approach yielded an analytical procedure with a good power of discrimination among bacteria. PMID:12243651

MPSalsa Version 1.5: A Finite Element Computer Program for Reacting Flow Problems: Part 1 - Theoretical Development

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

Devine, K.D.; Hennigan, G.L.; Hutchinson, S.A.

1999-01-01

The theoretical background for the finite element computer program, MPSalsa Version 1.5, is presented in detail. MPSalsa is designed to solve laminar or turbulent low Mach number, two- or three-dimensional incompressible and variable density reacting fluid flows on massively parallel computers, using a Petrov-Galerkin finite element formulation. The code has the capability to solve coupled fluid flow (with auxiliary turbulence equations), heat transport, multicomponent species transport, and finite-rate chemical reactions, and to solve coupled multiple Poisson or advection-diffusion-reaction equations. The program employs the CHEMKIN library to provide a rigorous treatment of multicomponent ideal gas kinetics and transport. Chemical reactions occurringmore » in the gas phase and on surfaces are treated by calls to CHEMKIN and SURFACE CHEMK3N, respectively. The code employs unstructured meshes, using the EXODUS II finite element database suite of programs for its input and output files. MPSalsa solves both transient and steady flows by using fully implicit time integration, an inexact Newton method and iterative solvers based on preconditioned Krylov methods as implemented in the Aztec. solver library.« less

The astrophysical S-factor of the direct 18O(p, γ)19F capture by the ANC method

NASA Astrophysics Data System (ADS)

Burjan, V.; Hons, Z.; Kroha, V.; Mrázek, J.; Piskoř, Š.; Mukhamedzhanov, A. M.; Trache, L.; Tribble, R. E.; La Cognata, M.; Lamia, L.; Pizzone, G. R.; Romano, S.; Spitaleri, C.; Tumino, A.

2018-01-01

We attempted to determine the astrophysical S-factor of the direct part of the 18O(p, γ)19F capture by the indirect method of asymptotic normalization coefficients (ANC). We measured the differential cross section of the transfer reaction 18O(3He, d)19F at a 3He energy of 24.6 MeV. The measurement was realized on the cyclotron of the NPI in Řež, Czech Republic, with the gas target consisting of the high purity 18O (99.9 %). The reaction products were measured by eight ΔE-E telescopes composed from thin and thick silicon surface-barrier detectors. The parameters of the optical model for the input channel were deduced by means of the code ECIS and the analysis of transfer reactions to 12 levels of the 19F nucleus up to 8.014 MeV was made by the code FRESCO. The deduced ANCs were then used to specify the direct contribution to the 18O(p, γ)19F capture process and were compared with the mutually different results of two works.

pH-regulated formation of side products in the reductive amination approach for differential labeling of peptides in relative quantitative experiments.

PubMed

Levi Mortera, Stefano; Dioni, Ilaria; Greco, Viviana; Neri, Cristina; Rovero, Paolo; Urbani, Andrea

2014-05-01

Among the most common stable-isotope labeling strategies, the reaction of formaldehyde with peptides in the presence of NaCNBH₃ features many attractive aspects that are conducive to its employment in quantitation experiments in proteomics. Reductive amination, with formaldehyde and d(2)-formaldehyde, is reported to be a fast, easy, and specific reaction, undoubtedly inexpensive if compared with commercially available kits for differential isotope coding. Acetaldehyde and d(4)-acetaldehyde could be employed as well without a substantial increase in terms of cost, and should provide a wider spacing between the differentially tagged peptides in the mass spectrum. Nevertheless, only a single paper reports about a diethylation approach for quantitation. We undertook a systematic analytical investigation on the reductive amination of some standard peptides pointing out the occasional occurrence of side reactions in dependence of pH or reagents order of addition, particularly observing the formation of cyclic adducts ascribable to rearrangements involving the generated Schiff-base and all the nucleophilic sites of its chemical environment. We also tried to evaluate how much this side-products amount may impair isotope coded relative quantitation.

Neutron Capture Gamma-Ray Libraries for Nuclear Applications

NASA Astrophysics Data System (ADS)

Sleaford, B. W.; Firestone, R. B.; Summers, N.; Escher, J.; Hurst, A.; Krticka, M.; Basunia, S.; Molnar, G.; Belgya, T.; Revay, Z.; Choi, H. D.

2011-06-01

The neutron capture reaction is useful in identifying and analyzing the gamma-ray spectrum from an unknown assembly as it gives unambiguous information on its composition. This can be done passively or actively where an external neutron source is used to probe an unknown assembly. There are known capture gamma-ray data gaps in the ENDF libraries used by transport codes for various nuclear applications. The Evaluated Gamma-ray Activation file (EGAF) is a new thermal neutron capture database of discrete line spectra and cross sections for over 260 isotopes that was developed as part of an IAEA Coordinated Research Project. EGAF is being used to improve the capture gamma production in ENDF libraries. For medium to heavy nuclei the quasi continuum contribution to the gamma cascades is not experimentally resolved. The continuum contains up to 90% of all the decay energy and is modeled here with the statistical nuclear structure code DICEBOX. This code also provides a consistency check of the level scheme nuclear structure evaluation. The calculated continuum is of sufficient accuracy to include in the ENDF libraries. This analysis also determines new total thermal capture cross sections and provides an improved RIPL database. For higher energy neutron capture there is less experimental data available making benchmarking of the modeling codes more difficult. We are investigating the capture spectra from higher energy neutrons experimentally using surrogate reactions and modeling this with Hauser-Feshbach codes. This can then be used to benchmark CASINO, a version of DICEBOX modified for neutron capture at higher energy. This can be used to simulate spectra from neutron capture at incident neutron energies up to 20 MeV to improve the gamma-ray spectrum in neutron data libraries used for transport modeling of unknown assemblies.

Synthetic neutron camera and spectrometer in JET based on AFSI-ASCOT simulations

NASA Astrophysics Data System (ADS)

Sirén, P.; Varje, J.; Weisen, H.; Koskela, T.; contributors, JET

2017-09-01

The ASCOT Fusion Source Integrator (AFSI) has been used to calculate neutron production rates and spectra corresponding to the JET 19-channel neutron camera (KN3) and the time-of-flight spectrometer (TOFOR) as ideal diagnostics, without detector-related effects. AFSI calculates fusion product distributions in 4D, based on Monte Carlo integration from arbitrary reactant distribution functions. The distribution functions were calculated by the ASCOT Monte Carlo particle orbit following code for thermal, NBI and ICRH particle reactions. Fusion cross-sections were defined based on the Bosch-Hale model and both DD and DT reactions have been included. Neutrons generated by AFSI-ASCOT simulations have already been applied as a neutron source of the Serpent neutron transport code in ITER studies. Additionally, AFSI has been selected to be a main tool as the fusion product generator in the complete analysis calculation chain: ASCOT - AFSI - SERPENT (neutron and gamma transport Monte Carlo code) - APROS (system and power plant modelling code), which encompasses the plasma as an energy source, heat deposition in plant structures as well as cooling and balance-of-plant in DEMO applications and other reactor relevant analyses. This conference paper presents the first results and validation of the AFSI DD fusion model for different auxiliary heating scenarios (NBI, ICRH) with very different fast particle distribution functions. Both calculated quantities (production rates and spectra) have been compared with experimental data from KN3 and synthetic spectrometer data from ControlRoom code. No unexplained differences have been observed. In future work, AFSI will be extended for synthetic gamma diagnostics and additionally, AFSI will be used as part of the neutron transport calculation chain to model real diagnostics instead of ideal synthetic diagnostics for quantitative benchmarking.

QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation

NASA Astrophysics Data System (ADS)

Samana, A. R.; Krmpotić, F.; Bertulani, C. A.

2010-06-01

A computer code for quasiparticle random phase approximation - QRPA and projected quasiparticle random phase approximation - PQRPA models of nuclear structure is explained in details. The residual interaction is approximated by a simple δ-force. An important application of the code consists in evaluating nuclear matrix elements involved in neutrino-nucleus reactions. As an example, cross sections for 56Fe and 12C are calculated and the code output is explained. The application to other nuclei and the description of other nuclear and weak decay processes are also discussed. Program summaryTitle of program: QRAP ( Quasiparticle RAndom Phase approximation) Computers: The code has been created on a PC, but also runs on UNIX or LINUX machines Operating systems: WINDOWS or UNIX Program language used: Fortran-77 Memory required to execute with typical data: 16 Mbytes of RAM memory and 2 MB of hard disk space No. of lines in distributed program, including test data, etc.: ˜ 8000 No. of bytes in distributed program, including test data, etc.: ˜ 256 kB Distribution format: tar.gz Nature of physical problem: The program calculates neutrino- and antineutrino-nucleus cross sections as a function of the incident neutrino energy, and muon capture rates, using the QRPA or PQRPA as nuclear structure models. Method of solution: The QRPA, or PQRPA, equations are solved in a self-consistent way for even-even nuclei. The nuclear matrix elements for the neutrino-nucleus interaction are treated as the beta inverse reaction of odd-odd nuclei as function of the transfer momentum. Typical running time: ≈ 5 min on a 3 GHz processor for Data set 1.

A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

NASA Technical Reports Server (NTRS)

Plante, Ianik; Wu, Honglu

2014-01-01

Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the formation of DNA damage and double-strand breaks.

Three-dimensional modeling of the neutron spectrum to infer plasma conditions in cryogenic inertial confinement fusion implosions

NASA Astrophysics Data System (ADS)

Weilacher, F.; Radha, P. B.; Forrest, C.

2018-04-01

Neutron-based diagnostics are typically used to infer compressed core conditions such as areal density and ion temperature in deuterium-tritium (D-T) inertial confinement fusion (ICF) implosions. Asymmetries in the observed neutron-related quantities are important to understanding failure modes in these implosions. Neutrons from fusion reactions and their subsequent interactions including elastic scattering and neutron-induced deuteron breakup reactions are tracked to create spectra. It is shown that background subtraction is important for inferring areal density from backscattered neutrons and is less important for the forward-scattered neutrons. A three-dimensional hydrodynamic simulation of a cryogenic implosion on the OMEGA Laser System [Boehly et al., Opt. Commun. 133, 495 (1997)] using the hydrodynamic code HYDRA [Marinak et al., Phys. Plasmas 8, 2275 (2001)] is post-processed using the tracking code IRIS3D. It is shown that different parts of the neutron spectrum from the view can be mapped into different regions of the implosion, enabling an inference of an areal-density map. It is also shown that the average areal-density and an areal-density map of the compressed target can be reconstructed with a finite number of detectors placed around the target chamber. Ion temperatures are inferred from the width of the D-D and D-T fusion neutron spectra. Backgrounds can significantly alter the inferred ion temperatures from the D-D reaction, whereas they insignificantly influence the inferred D-T ion temperatures for the areal densities typical of OMEGA implosions. Asymmetries resulting in fluid flow in the core are shown to influence the absolute inferred ion temperatures from both reactions, although relative inferred values continue to reflect the underlying asymmetry pattern. The work presented here is part of the wide range of the first set of studies performed with IRIS3D. This code will continue to be used for post-processing detailed hydrodynamic simulations and interpreting observed neutron spectra in ICF implosions.

Numerical study of shock-induced combustion in methane-air mixtures

NASA Technical Reports Server (NTRS)

Yungster, Shaye; Rabinowitz, Martin J.

1993-01-01

The shock-induced combustion of methane-air mixtures in hypersonic flows is investigated using a new reaction mechanism consisting of 19 reacting species and 52 elementary reactions. This reduced model is derived from a full kinetic mechanism via the Detailed Reduction technique. Zero-dimensional computations of several shock-tube experiments are presented first. The reaction mechanism is then combined with a fully implicit Navier-Stokes computational fluid dynamics (CFD) code to conduct numerical simulations of two-dimensional and axisymmetric shock-induced combustion experiments of stoichiometric methane-air mixtures at a Mach number of M = 6.61. Applications to the ram accelerator concept are also presented.

Validation of absolute axial neutron flux distribution calculations with MCNP with 197Au(n,γ)198Au reaction rate distribution measurements at the JSI TRIGA Mark II reactor.

PubMed

Radulović, Vladimir; Štancar, Žiga; Snoj, Luka; Trkov, Andrej

2014-02-01

The calculation of axial neutron flux distributions with the MCNP code at the JSI TRIGA Mark II reactor has been validated with experimental measurements of the (197)Au(n,γ)(198)Au reaction rate. The calculated absolute reaction rate values, scaled according to the reactor power and corrected for the flux redistribution effect, are in good agreement with the experimental results. The effect of different cross-section libraries on the calculations has been investigated and shown to be minor. Copyright © 2013 Elsevier Ltd. All rights reserved.

Development and Implementation of Photonuclear Cross-Section Data for Mutually Coupled Neutron-Photon Transport Calculations in the Monte Carlo N-Particle (MCNP) Radiation Transport Code

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

White, Morgan C.

2000-07-01

The fundamental motivation for the research presented in this dissertation was the need to development a more accurate prediction method for characterization of mixed radiation fields around medical electron accelerators (MEAs). Specifically, a model is developed for simulation of neutron and other particle production from photonuclear reactions and incorporated in the Monte Carlo N-Particle (MCNP) radiation transport code. This extension of the capability within the MCNP code provides for the more accurate assessment of the mixed radiation fields. The Nuclear Theory and Applications group of the Los Alamos National Laboratory has recently provided first-of-a-kind evaluated photonuclear data for a selectmore » group of isotopes. These data provide the reaction probabilities as functions of incident photon energy with angular and energy distribution information for all reaction products. The availability of these data is the cornerstone of the new methodology for state-of-the-art mutually coupled photon-neutron transport simulations. The dissertation includes details of the model development and implementation necessary to use the new photonuclear data within MCNP simulations. A new data format has been developed to include tabular photonuclear data. Data are processed from the Evaluated Nuclear Data Format (ENDF) to the new class ''u'' A Compact ENDF (ACE) format using a standalone processing code. MCNP modifications have been completed to enable Monte Carlo sampling of photonuclear reactions. Note that both neutron and gamma production are included in the present model. The new capability has been subjected to extensive verification and validation (V&V) testing. Verification testing has established the expected basic functionality. Two validation projects were undertaken. First, comparisons were made to benchmark data from literature. These calculations demonstrate the accuracy of the new data and transport routines to better than 25 percent. Second, the ability to calculate radiation dose due to the neutron environment around a MEA is shown. An uncertainty of a factor of three in the MEA calculations is shown to be due to uncertainties in the geometry modeling. It is believed that the methodology is sound and that good agreement between simulation and experiment has been demonstrated.« less

Benchmarking a Visual-Basic based multi-component one-dimensional reactive transport modeling tool

NASA Astrophysics Data System (ADS)

Torlapati, Jagadish; Prabhakar Clement, T.

2013-01-01

We present the details of a comprehensive numerical modeling tool, RT1D, which can be used for simulating biochemical and geochemical reactive transport problems. The code can be run within the standard Microsoft EXCEL Visual Basic platform, and it does not require any additional software tools. The code can be easily adapted by others for simulating different types of laboratory-scale reactive transport experiments. We illustrate the capabilities of the tool by solving five benchmark problems with varying levels of reaction complexity. These literature-derived benchmarks are used to highlight the versatility of the code for solving a variety of practical reactive transport problems. The benchmarks are described in detail to provide a comprehensive database, which can be used by model developers to test other numerical codes. The VBA code presented in the study is a practical tool that can be used by laboratory researchers for analyzing both batch and column datasets within an EXCEL platform.

Eye coding mechanisms in early human face event-related potentials.

PubMed

Rousselet, Guillaume A; Ince, Robin A A; van Rijsbergen, Nicola J; Schyns, Philippe G

2014-11-10

In humans, the N170 event-related potential (ERP) is an integrated measure of cortical activity that varies in amplitude and latency across trials. Researchers often conjecture that N170 variations reflect cortical mechanisms of stimulus coding for recognition. Here, to settle the conjecture and understand cortical information processing mechanisms, we unraveled the coding function of N170 latency and amplitude variations in possibly the simplest socially important natural visual task: face detection. On each experimental trial, 16 observers saw face and noise pictures sparsely sampled with small Gaussian apertures. Reverse-correlation methods coupled with information theory revealed that the presence of the eye specifically covaries with behavioral and neural measurements: the left eye strongly modulates reaction times and lateral electrodes represent mainly the presence of the contralateral eye during the rising part of the N170, with maximum sensitivity before the N170 peak. Furthermore, single-trial N170 latencies code more about the presence of the contralateral eye than N170 amplitudes and early latencies are associated with faster reaction times. The absence of these effects in control images that did not contain a face refutes alternative accounts based on retinal biases or allocation of attention to the eye location on the face. We conclude that the rising part of the N170, roughly 120-170 ms post-stimulus, is a critical time-window in human face processing mechanisms, reflecting predominantly, in a face detection task, the encoding of a single feature: the contralateral eye. © 2014 ARVO.

The Development of a Nonequilibrium Radiative Heat Transfer Computational Model for High Altitude Entry Vehicle Flowfield Methods

NASA Technical Reports Server (NTRS)

Carlson, Leland A.

1995-01-01

This final report will attempt to concisely summarize the activities and accomplishments associated with NASA Grant and to include pertinent documents in an appendix. The project initially had one primary and several secondary objectives. The original primary objective was to couple into the NASA Johnson Space Center (JSC) nonequilibrium chemistry Euler equation entry vehicle flowfield code, INEQ3D, the Texas A&M University (TAMU) local thermodynamic nonequilibrium (LTNE) radiation model. This model had previously been developed and verified under NASA Langley and NASA Johnson sponsorship as part of a viscous shock layer entry vehicle flowfield code. The secondary objectives were: (1) to investigate the necessity of including the radiative flux term in the vibrational-electron-electronic (VEE) energy equation as well as in the global energy equation, (2) to determine the importance of including the small net change in electronic energy between products and reactants which occurs during a chemical reaction, and (3) to study the effect of atom-atom impact ionization reactions on entry vehicle nonequilibrium flowfield chemistry and radiation. For each, of these objectives, it was assumed that the code would be applicable to lunar return entry conditions, i.e. altitude above 75 km, velocity greater, than 11 km/sec, where nonequilibrium chemistry and radiative heating phenomena would be significant. In addition, it was tacitly assumed that as part of the project the code would be applied to a variety of flight conditions and geometries.

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

Sublet, J.-Ch., E-mail: jean-christophe.sublet@ukaea.uk; Eastwood, J.W.; Morgan, J.G.

Fispact-II is a code system and library database for modelling activation-transmutation processes, depletion-burn-up, time dependent inventory and radiation damage source terms caused by nuclear reactions and decays. The Fispact-II code, written in object-style Fortran, follows the evolution of material irradiated by neutrons, alphas, gammas, protons, or deuterons, and provides a wide range of derived radiological output quantities to satisfy most needs for nuclear applications. It can be used with any ENDF-compliant group library data for nuclear reactions, particle-induced and spontaneous fission yields, and radioactive decay (including but not limited to TENDL-2015, ENDF/B-VII.1, JEFF-3.2, JENDL-4.0u, CENDL-3.1 processed into fine-group-structure files, GEFY-5.2more » and UKDD-16), as well as resolved and unresolved resonance range probability tables for self-shielding corrections and updated radiological hazard indices. The code has many novel features including: extension of the energy range up to 1 GeV; additional neutron physics including self-shielding effects, temperature dependence, thin and thick target yields; pathway analysis; and sensitivity and uncertainty quantification and propagation using full covariance data. The latest ENDF libraries such as TENDL encompass thousands of target isotopes. Nuclear data libraries for Fispact-II are prepared from these using processing codes PREPRO, NJOY and CALENDF. These data include resonance parameters, cross sections with covariances, probability tables in the resonance ranges, PKA spectra, kerma, dpa, gas and radionuclide production and energy-dependent fission yields, supplemented with all 27 decay types. All such data for the five most important incident particles are provided in evaluated data tables. The Fispact-II simulation software is described in detail in this paper, together with the nuclear data libraries. The Fispact-II system also includes several utility programs for code-use optimisation, visualisation and production of secondary radiological quantities. Included in the paper are summaries of results from the suite of verification and validation reports available with the code.« less

FISPACT-II: An Advanced Simulation System for Activation, Transmutation and Material Modelling

NASA Astrophysics Data System (ADS)

Sublet, J.-Ch.; Eastwood, J. W.; Morgan, J. G.; Gilbert, M. R.; Fleming, M.; Arter, W.

2017-01-01

Fispact-II is a code system and library database for modelling activation-transmutation processes, depletion-burn-up, time dependent inventory and radiation damage source terms caused by nuclear reactions and decays. The Fispact-II code, written in object-style Fortran, follows the evolution of material irradiated by neutrons, alphas, gammas, protons, or deuterons, and provides a wide range of derived radiological output quantities to satisfy most needs for nuclear applications. It can be used with any ENDF-compliant group library data for nuclear reactions, particle-induced and spontaneous fission yields, and radioactive decay (including but not limited to TENDL-2015, ENDF/B-VII.1, JEFF-3.2, JENDL-4.0u, CENDL-3.1 processed into fine-group-structure files, GEFY-5.2 and UKDD-16), as well as resolved and unresolved resonance range probability tables for self-shielding corrections and updated radiological hazard indices. The code has many novel features including: extension of the energy range up to 1 GeV; additional neutron physics including self-shielding effects, temperature dependence, thin and thick target yields; pathway analysis; and sensitivity and uncertainty quantification and propagation using full covariance data. The latest ENDF libraries such as TENDL encompass thousands of target isotopes. Nuclear data libraries for Fispact-II are prepared from these using processing codes PREPRO, NJOY and CALENDF. These data include resonance parameters, cross sections with covariances, probability tables in the resonance ranges, PKA spectra, kerma, dpa, gas and radionuclide production and energy-dependent fission yields, supplemented with all 27 decay types. All such data for the five most important incident particles are provided in evaluated data tables. The Fispact-II simulation software is described in detail in this paper, together with the nuclear data libraries. The Fispact-II system also includes several utility programs for code-use optimisation, visualisation and production of secondary radiological quantities. Included in the paper are summaries of results from the suite of verification and validation reports available with the code.

A Physical Model of Cosmogenic Nuclide Production in Stony and Iron Meteoroids on the Basis of Simulation Experiments

NASA Astrophysics Data System (ADS)

Leya, I.; Lange, H.-J.; Michel, R.; Meltzow, B.; Herpers, U.; Busemann, H.; Wieler, R.; Dittrich-Hannen, B.; Suter, M.; Kubik, P. W.

1995-09-01

By extending and improving earlier model calculations [1-4] of cosmogenic nuclide production by GCR particles in extraterrestrial matter, we can now present a physical model without free parameters for a consistent description of GCR production rates in stony and iron meteoroids. The model takes explicitely into account p and n-induced reactions. GCR 4He particles are considered only approximately. It is based on depth-size and bulk-chemistry-dependent spectra of primary and secondary protons and of secondary neutrons calculated by HET and MORSE codes within the HERMES code system [5] and on the cross sections of the underlying reactions. Comprehensive and reliable sets of proton cross sections from thresholds up to 2.6 GeV exist now for many cosmogenic nuclides (see [6] for a review). For n-induced reactions the situation is not so good. Only a few data at low energies and practically no data at higher energies exist. GCR production of cosmogenic nuclides in stony meteoroids is already dominated by neutron-induced reactions for most meteoroid radii. In iron meteoroids neutrons are even more important because of the high mass numbers of the bulk and of consequently higher multiplicities for production of secondary neutrons. In order to overcome this problem, the necessary excitation functions of neutron-induced reactions were determined from experimental thick-target production rates by least-squares unfolding procedures using the code STAYS'L [7]. The data were produced in laboratory experiments under completely controlled conditions [8-11]. The unfolding procedure starts from guess functions (from threshold up to 900 MeV) based on all available experimental neutron cross sections and on theoretical ones calculated by the AREL [12] code which is a relativistic version of the hybrid model of pre-equilibrium reactions [13]. With the new neutron cross sections it is possible to describe simultanously all data from the simulation experiments with an accuracy of better than 10 % and to calculate consistent cosmogenic nuclide production rates in stony and iron meteoroids. The new model calculations are so far valid for 10Be, 26Al, 36Cl, 41Ca, 53Mn as well as He, Ne and Ar isotopes. The new theoretical production rates are compared with measured depth profiles in stony and iron meteorites and will be discussed with respect to primary GCR spectra and preatmospheric radii and exposure histories of stony and iron meteoroids. Acknowledgement: This work was partially supported by the Deutsche Forschungsgemeinschaft and the Swiss National Science Foundation. References: [1] Michel R. et al. (1991) Meteoritics, 26, 221-242. [2] Michel R. et al. (1995) Planet. Space Sci., in press. [3] Bhandari N. et al. (1993) GCA, 57, 2361-2375. [4] Herpers U. et al. (1995) Planet. Space Sci., in press. [5] Cloth P. et al. (1988) JUEL-2203. [6] Michel R. (1994) in Nuclear Data for Science and Technology (J. K. Dickens, ed.), 337-343, Am. Nucl. Soc., La Grange Park. [7] Perrey F. G. (1977) Code STAYS'L, NEA Data Bank, OECD Paris. [8] Michel R. et al. (1986) Nucl. Instr. Meth. Phys. Res., B16, 61-82. [9] Michel R. et al. (1989) Nucl. Instr. Meth. Phys. Res., B42, 76-100. [10] Michel R. et al. (1993) J. Radioanal. Nucl. Chem., 169, 13-25. [11] Michel R. et al. (1994) in Nuclear Data for Science and Technology (J. K. Dickens, ed.), 377-379, Am. Nucl. Soc., La Grange Park. [12] Blann M. (1994) Code AREL, personal communication to R. Michel. [13] Blann M. (1972) Phys. Rev. Lett., 27, 337-340.

Development of iPS (induced pluripotent stem cells) using natural product from extract of fish oocyte to provide stem cell for regenerative therapy

NASA Astrophysics Data System (ADS)

Meilany, Sofy; Firdausiyah, Qonitha S.; Naroeni, Aroem

2017-02-01

In this study, we developed a method to induce pluripotency of adult cells (fibroblast) into stem cells using a natural product, extract of fish oocyte, by comparing the extract concentration, 1 mg/ml and 2 mg/ml. The analyses were done by measuring the Nanog gene expression in cells using qPCR and detecting fibroblast marker anti H2-KK. The results revealed existence of a colony of stem cells in the cell that was induced with 2mg/ml concentration of oocytes. Nanoggene expression was analyzed by qPCR and the results showed expression of Nanog gene compared to the control. Analysis of result of fibroblast using Tali Cytometer and anti H2KK antibody showed loss of expression of Anti H2KK meaning there was transformation from fibroblast type cell to pluripotent cell type.

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

DOE PAGES

Gao, Connie W.; Allen, Joshua W.; Green, William H.; ...

2016-02-24

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involvingmore » carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.« less

Scramjet Combustor Simulations Using Reduced Chemical Kinetics for Practical Fuels

DTIC Science & Technology

2003-12-01

the aerospace industry in reducing prototype and testing costs and the time needed to bring products to market . Accurate simulation of chemical...JP-8 kinetics and soot models into the UNICORN CFD code (Montgomery et al., 2003a) NSF Phase I and II SBIRs for development of a computer-assisted...divided by diameter QSS quasi-steady state REI Reaction Engineering International UNICORN UNsteady Ignition and COmbustion with ReactioNs VULCAN Viscous Upwind aLgorithm for Complex flow ANalysis

Flow field description of the Space Shuttle Vernier reaction control system exhaust plumes

NASA Technical Reports Server (NTRS)

Cerimele, Mary P.; Alred, John W.

1987-01-01

The flow field for the Vernier Reaction Control System (VRCS) jets of the Space Shuttle Orbiter has been calculated from the nozzle throat to the far-field region. The calculations involved the use of recently improved rocket engine nozzle/plume codes. The flow field is discussed, and a brief overview of the calculation techniques is presented. In addition, a proposed on-orbit plume measurement experiment, designed to improve future estimations of the Vernier flow field, is addressed.

Code dependencies of pre-supernova evolution and nucleosynthesis in massive stars: evolution to the end of core helium burning

DOE PAGES

Jones, S.; Hirschi, R.; Pignatari, M.; ...

2015-01-15

We present a comparison of 15M ⊙ , 20M ⊙ and 25M ⊙ stellar models from three different codes|GENEC, KEPLER and MESA|and their nucleosynthetic yields. The models are calculated from the main sequence up to the pre-supernova (pre-SN) stage and do not include rotation. The GENEC and KEPLER models hold physics assumptions that are characteristic of the two codes. The MESA code is generally more flexible; overshooting of the convective core during the hydrogen and helium burning phases in MESA is chosen such that the CO core masses are consistent with those in the GENEC models. Full nucleosynthesis calculations aremore » performed for all models using the NuGrid post-processing tool MPPNP and the key energy-generating nuclear reaction rates are the same for all codes. We are thus able to highlight the key diferences between the models that are caused by the contrasting physics assumptions and numerical implementations of the three codes. A reasonable agreement is found between the surface abundances predicted by the models computed using the different codes, with GENEC exhibiting the strongest enrichment of H-burning products and KEPLER exhibiting the weakest. There are large variations in both the structure and composition of the models—the 15M ⊙ and 20M ⊙ in particular—at the pre-SN stage from code to code caused primarily by convective shell merging during the advanced stages. For example the C-shell abundances of O, Ne and Mg predicted by the three codes span one order of magnitude in the 15M ⊙ models. For the alpha elements between Si and Fe the differences are even larger. The s-process abundances in the C shell are modified by the merging of convective shells; the modification is strongest in the 15M ⊙ model in which the C-shell material is exposed to O-burning temperatures and the γ -process is activated. The variation in the s-process abundances across the codes is smallest in the 25M ⊙ models, where it is comparable to the impact of nuclear reaction rate uncertainties. In general the differences in the results from the three codes are due to their contrasting physics assumptions (e.g. prescriptions for mass loss and convection). The broadly similar evolution of the 25M ⊙ models gives us reassurance that different stellar evolution codes do produce similar results. For the 15M ⊙ and 20M ⊙ models, however, the different input physics and the interplay between the various convective zones lead to important differences in both the pre-supernova structure and nucleosynthesis predicted by the three codes. For the KEPLER models the core masses are different and therefore an exact match could not be expected.« less

Information coding with frequency of oscillations in Belousov-Zhabotinsky encapsulated disks

NASA Astrophysics Data System (ADS)

Gorecki, J.; Gorecka, J. N.; Adamatzky, Andrew

2014-04-01

Information processing with an excitable chemical medium, like the Belousov-Zhabotinsky (BZ) reaction, is typically based on information coding in the presence or absence of excitation pulses. Here we present a new concept of Boolean coding that can be applied to an oscillatory medium. A medium represents the logical TRUE state if a selected region oscillates with a high frequency. If the frequency fails below a specified value, it represents the logical FALSE state. We consider a medium composed of disks encapsulating an oscillatory mixture of reagents, as related to our recent experiments with lipid-coated BZ droplets. We demonstrate that by using specific geometrical arrangements of disks containing the oscillatory medium one can perform logical operations on variables coded in oscillation frequency. Realizations of a chemical signal diode and of a single-bit memory with oscillatory disks are also discussed.

Crucial steps to life: From chemical reactions to code using agents.

PubMed

Witzany, Guenther

2016-02-01

The concepts of the origin of the genetic code and the definitions of life changed dramatically after the RNA world hypothesis. Main narratives in molecular biology and genetics such as the "central dogma," "one gene one protein" and "non-coding DNA is junk" were falsified meanwhile. RNA moved from the transition intermediate molecule into centre stage. Additionally the abundance of empirical data concerning non-random genetic change operators such as the variety of mobile genetic elements, persistent viruses and defectives do not fit with the dominant narrative of error replication events (mutations) as being the main driving forces creating genetic novelty and diversity. The reductionistic and mechanistic views on physico-chemical properties of the genetic code are no longer convincing as appropriate descriptions of the abundance of non-random genetic content operators which are active in natural genetic engineering and natural genome editing. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

An Overview of the XGAM Code and Related Software for Gamma-ray Analysis

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

Younes, W.

2014-11-13

The XGAM spectrum-fitting code and associated software were developed specifically to analyze the complex gamma-ray spectra that can result from neutron-induced reactions. The XGAM code is designed to fit a spectrum over the entire available gamma-ray energy range as a single entity, in contrast to the more traditional piecewise approaches. This global-fit philosophy enforces background continuity as well as consistency between local and global behavior throughout the spectrum, and in a natural way. This report presents XGAM and the suite of programs built around it with an emphasis on how they fit into an overall analysis methodology for complex gamma-raymore » data. An application to the analysis of time-dependent delayed gamma-ray yields from 235U fission is shown in order to showcase the codes and how they interact.« less

METHES: A Monte Carlo collision code for the simulation of electron transport in low temperature plasmas

NASA Astrophysics Data System (ADS)

Rabie, M.; Franck, C. M.

2016-06-01

We present a freely available MATLAB code for the simulation of electron transport in arbitrary gas mixtures in the presence of uniform electric fields. For steady-state electron transport, the program provides the transport coefficients, reaction rates and the electron energy distribution function. The program uses established Monte Carlo techniques and is compatible with the electron scattering cross section files from the open-access Plasma Data Exchange Project LXCat. The code is written in object-oriented design, allowing the tracing and visualization of the spatiotemporal evolution of electron swarms and the temporal development of the mean energy and the electron number due to attachment and/or ionization processes. We benchmark our code with well-known model gases as well as the real gases argon, N2, O2, CF4, SF6 and mixtures of N2 and O2.

The simulations of indirect-drive targets for ignition on megajoule lasers.

NASA Astrophysics Data System (ADS)

Lykov, Vladimir; Andreev, Eugene; Ardasheva, Ludmila; Avramenko, Michael; Chernyakov, Valerian; Chizhkov, Maxim; Karlykhanov, Nikalai; Kozmanov, Michael; Lebedev, Serge; Rykovanov, George; Seleznev, Vladimir; Sokolov, Lev; Timakova, Margaret; Shestakov, Alexander; Shushlebin, Aleksander

2013-10-01

The calculations were performed with use of radiation hydrodynamic codes developed in RFNC-VNIITF. The analysis of published calculations of indirect-drive targets to obtain ignition on NIF and LMJ lasers has shown that these targets have very low margins for ignition: according to 1D-ERA code calculations it could not be ignited under decreasing of thermonuclear reaction rate less than in 2 times.The purpose of new calculations is search of indirect-drive targets with the raised margins for ignition. The calculations of compression and thermonuclear burning of targets are carried out for conditions of X-ray flux asymmetry obtained in simulations of Rugby hohlraum that were performed with 2D-SINARA code. The requirements to accuracy of manufacturing and irradiation symmetry of targets were studied with use of 2D-TIGR-OMEGA-3T code. The necessity of performed researches is caused by the construction of magajoule laser in Russia.

Calculations of Helium Bubble Evolution in the PISCES Experiments with Cluster Dynamics

NASA Astrophysics Data System (ADS)

Blondel, Sophie; Younkin, Timothy; Wirth, Brian; Lasa, Ane; Green, David; Canik, John; Drobny, Jon; Curreli, Davide

2017-10-01

Plasma surface interactions in fusion tokamak reactors involve an inherently multiscale, highly non-equilibrium set of phenomena, for which current models are inadequate to predict the divertor response to and feedback on the plasma. In this presentation, we describe the latest code developments of Xolotl, a spatially-dependent reaction diffusion cluster dynamics code to simulate the divertor surface response to fusion-relevant plasma exposure. Xolotl is part of a code-coupling effort to model both plasma and material simultaneously; the first benchmark for this effort is the series of PISCES linear device experiments. We will discuss the processes leading to surface morphology changes, which further affect erosion, as well as how Xolotl has been updated in order to communicate with other codes. Furthermore, we will show results of the sub-surface evolution of helium bubbles in tungsten as well as the material surface displacement under these conditions.

New Approach for Nuclear Reaction Model in the Combination of Intra-nuclear Cascade and DWBA

NASA Astrophysics Data System (ADS)

Hashimoto, S.; Iwamoto, O.; Iwamoto, Y.; Sato, T.; Niita, K.

2014-04-01

We applied a new nuclear reaction model that is a combination of the intra nuclear cascade model and the distorted wave Born approximation (DWBA) calculation to estimate neutron spectra in reactions induced by protons incident on 7Li and 9Be targets at incident energies below 50 MeV, using the particle and heavy ion transport code system (PHITS). The results obtained by PHITS with the new model reproduce the sharp peaks observed in the experimental double-differential cross sections as a result of taking into account transitions between discrete nuclear states in the DWBA. An excellent agreement was observed between the calculated results obtained using the combination model and experimental data on neutron yields from thick targets in the inclusive (p, xn) reaction.

An incomplete assembly with thresholding algorithm for systems of reaction-diffusion equations in three space dimensions IAT for reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Moore, Peter K.

2003-07-01

Solving systems of reaction-diffusion equations in three space dimensions can be prohibitively expensive both in terms of storage and CPU time. Herein, I present a new incomplete assembly procedure that is designed to reduce storage requirements. Incomplete assembly is analogous to incomplete factorization in that only a fixed number of nonzero entries are stored per row and a drop tolerance is used to discard small values. The algorithm is incorporated in a finite element method-of-lines code and tested on a set of reaction-diffusion systems. The effect of incomplete assembly on CPU time and storage and on the performance of the temporal integrator DASPK, algebraic solver GMRES and preconditioner ILUT is studied.

Reactive Flow Modeling of Liquid Explosives via ALE3D/Cheetah Simulations

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

Kuo, I W; Bastea, S; Fried, L E

2010-03-10

We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

Validation of light water reactor calculation methods and JEF-1-based data libraries by TRX and BAPL critical experiments

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

Paratte, J.M.; Pelloni, S.; Grimm, P.

1991-04-01

This paper analyzes the capability of various code systems and JEF-1-based nuclear data libraries to compute light water reactor lattices by comparing calculations with results from thermal reactor benchmark experiments TRX and BAPL and with previously published values. With the JEF-1 evaluation, eigenvalues are generally well predicted within 8 mk (1 mk = 0.001) or less by all code systems, and all methods give reasonable results for the measured reaction rate ratios within, or not too far from, the experimental uncertainty.

CFD propels NASP propulsion progress

NASA Technical Reports Server (NTRS)

Povinelli, Louis A.; Dwoyer, Douglas L.; Green, Michael J.

1990-01-01

The most complex aerothermodynamics encountered in the National Aerospace Plane (NASP) propulsion system are associated with the fuel-mixing and combustion-reaction flows of its combustor section; adequate CFD tools must be developed to model shock-wave systems, turbulent hydrogen/air mixing, flow separation, and combustion. Improvements to existing CFD codes have involved extension from two dimensions to three, as well as the addition of finite-rate hydrogen-air chemistry. A novel CFD code for the treatment of reacting flows throughout the NASP, designated GASP, uses the most advanced upwind-differencing technology.

CFD propels NASP propulsion progress

NASA Astrophysics Data System (ADS)

Povinelli, Louis A.; Dwoyer, Douglas L.; Green, Michael J.

1990-07-01

The most complex aerothermodynamics encountered in the National Aerospace Plane (NASP) propulsion system are associated with the fuel-mixing and combustion-reaction flows of its combustor section; adequate CFD tools must be developed to model shock-wave systems, turbulent hydrogen/air mixing, flow separation, and combustion. Improvements to existing CFD codes have involved extension from two dimensions to three, as well as the addition of finite-rate hydrogen-air chemistry. A novel CFD code for the treatment of reacting flows throughout the NASP, designated GASP, uses the most advanced upwind-differencing technology.

Programmers manual for a one-dimensional Lagrangian transport model

USGS Publications Warehouse

Schoellhamer, D.H.; Jobson, H.E.

1986-01-01

A one-dimensional Lagrangian transport model for simulating water-quality constituents such as temperature, dissolved oxygen , and suspended sediment in rivers is presented in this Programmers Manual. Lagrangian transport modeling techniques, the model 's subroutines, and the user-written decay-coefficient subroutine are discussed in detail. Appendices list the program codes. The Programmers Manual is intended for the model user who needs to modify code either to adapt the model to a particular need or to use reaction kinetics not provided with the model. (Author 's abstract)

Recent advances in hypersonic technology

NASA Technical Reports Server (NTRS)

Dwoyer, Douglas L.

1990-01-01

This paper will focus on recent advances in hypersonic aerodynamic prediction techniques. Current capabilities of existing numerical methods for predicting high Mach number flows will be discussed and shortcomings will be identified. Physical models available for inclusion into modern codes for predicting the effects of transition and turbulence will also be outlined and their limitations identified. Chemical reaction models appropriate to high-speed flows will be addressed, and the impact of their inclusion in computational fluid dynamics codes will be discussed. Finally, the problem of validating predictive techniques for high Mach number flows will be addressed.

Computations in turbulent flows and off-design performance predictions for airframe-integrated scramjets

NASA Technical Reports Server (NTRS)

Goglia, G. L.; Spiegler, E.

1977-01-01

The research activity focused on two main tasks: (1) the further development of the SCRAM program and, in particular, the addition of a procedure for modeling the mechanism of the internal adjustment process of the flow, in response to the imposed thermal load across the combustor and (2) the development of a numerical code for the computation of the variation of concentrations throughout a turbulent field, where finite-rate reactions occur. The code also includes an estimation of the effect of the phenomenon called 'unmixedness'.

New Reduced Two-Time Step Method for Calculating Combustion and Emission Rates of Jet-A and Methane Fuel With and Without Water Injection

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2004-01-01

A simplified kinetic scheme for Jet-A, and methane fuels with water injection was developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) or even simple FORTRAN codes that are being developed at Glenn. The two time step method is either an initial time averaged value (step one) or an instantaneous value (step two). The switch is based on the water concentration in moles/cc of 1x10(exp -20). The results presented here results in a correlation that gives the chemical kinetic time as two separate functions. This two step method is used as opposed to a one step time averaged method previously developed to determine the chemical kinetic time with increased accuracy. The first time averaged step is used at the initial times for smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, initial water to fuel mass ratio, temperature, and pressure. The second instantaneous step, to be used with higher water concentrations, gives the chemical kinetic time as a function of instantaneous fuel and water mole concentration, pressure and temperature (T4). The simple correlations would then be compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide and NOx were obtained for Jet-A fuel and methane with and without water injection to water mass loadings of 2/1 water to fuel. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentrations of carbon monoxide and nitrogen oxide as functions of overall equivalence ratio, water to fuel mass ratio, pressure and temperature (T3). The temperature of the gas entering the turbine (T4) was also correlated as a function of the initial combustor temperature (T3), equivalence ratio, water to fuel mass ratio, and pressure.

Students' Views and Attitudes Towards the Communication Code Used in Press Articles About Science

NASA Astrophysics Data System (ADS)

Halkia, Krystallia; Mantzouridis, Dimitris

2005-10-01

The present research was designed to investigate the reaction of secondary school students to the communication code that the press uses in science articles: it attempts to trace which communication techniques can be of potential use in science education. The sample of the research consists of 351 secondary school students. The research instrument is a questionnaire, which attempts to trace students’ preferences regarding newspaper science articles, to explore students’ attitudes towards the science articles published in the press and to investigate students’ reactions towards four newspaper science articles. These articles deal with different aspects of science and reflect different communication strategies. The results of the research reveal that secondary school students view the communication codes used in press science articles as being more interesting and comprehensible than those of their science textbooks. Predominantly, they do not select science articles that present their data in a scientific way (diagrams and abstract graphs). On the contrary, they do select science articles and passages in them, which use an emotional/‘poetic’ language with a lot of metaphors and analogies to introduce complex science concepts. It also seems that the narrative elements found in popularized science articles attract students’ interest and motivate them towards further reading.

Arcjet thruster research and technology, phase 1

NASA Technical Reports Server (NTRS)

Knowles, Steven C.

1987-01-01

The objectives of Phase 1 were to evaluate analytically and experimentally the operation, performance, and lifetime of arcjet thrusters operating between 0.5 and 3.0 kW with catalytically decomposed hydrazine (N2H4) and to begin development of the requisite power control unit (PCU) technology. Fundamental analyses were performed of the arcjet nozzle, the gas kinetic reaction effects, the thermal environment, and the arc stabilizing vortex. The VNAP2 flow code was used to analyze arcjet nozzle performance with non-uniform entrance profiles. Viscous losses become dominant beyond expansion ratios of 50:1 because of the low Reynolds numbers. A survey of vortex phenomena and analysis techniques identified viscous dissipation and vortex breakdown as two flow instabilities that could affect arcjet operation. The gas kinetics code CREK1D was used to study the gas kinetics of high temperature N2H4 decomposition products. The arc/gas energy transfer is a non-equilibrium process because of the reaction rate constants and the short gas residence times. A thermal analysis code was used to guide design work and to provide a means to back out power losses at the anode fall based on test thermocouple data. The low flow rate and large thermal masses made optimization of a regenerative heating scheme unnecessary.

Analysis of Flow Migration in an Ultra-Compact Combustor

DTIC Science & Technology

2011-03-01

Computational Fluid Dynamics . . . . . . . . . . . . . . . 6 UNICORN Unsteady Ignition and Combustion with Reactions . . . . 8 LBO Lean Blowout...the magnitude of enhanced flame speeds due to g- loading using the UNICORN CFD code. The study examined flame propagation for a hydrogen-air mixture in

[Visits of patients with exertional rhabdomyolysis to the Emergency Department at Landspítali, The National University Hospital of Iceland in the years 2008-2012].

PubMed

Halldorsson, Arnljotur Bjorn; Benedikz, Elisabet; Olafsson, Isleifur; Mogensen, Brynjolfur

2016-03-01

Overexertion and too much training are among the -multiple etiologies of rhabdomyolysis. Creatine kinase (CK) and myo-globine, released from skeletal muscle cells, are useful for diagnosis and follow-up. Acute kidney injury is a serious complication of myoglobinemia. Literature on exertional rhabdomyolysis in the general population is scarce. The aim of this study was to investigate the epidemiology of exertional rhabdomyolysis among patients diagnosed at Landspítali The National University Hospital of Iceland in 2008-2012. The study was retrospective and observational. All patients presenting with muscle pain after exertion and elevated creatine kinase >1000 IU/L, during the period from 1 January 2008 to 31 December 2012, were included. Patients with CK elevations secondary to causes other than exertion were excluded. Variables included: patient number and gender, CK-levels, date of hospital admission, cause of rhabdomyolysis, location of injured muscle groups, length of hospital stay, complications and means of fluid replacement. Population figures of the capital region were gathered from Statistics Iceland and information on sport practice in the capital region from The National Olympic and Sports Association of Iceland. Exertional rhabdomyolysis was diagnosed in 54 patients, 18 females (33,3%) and 36 males (66,7%), or 8,3% of rhabdomyolysis cases from all causes in the study period (648 cases). Incidence in the capital region was 5,0/100.000 inhabitants per year in the study period. Median age was 28 years and median CK-level was 24.132 IU/L. CK-levels were higher among females but the difference between genders was not significant. Muscle groups of the upper and lower extremities were most frequently affected (89%). Thirty patients received intravenous fluids. They had significantly higher CK values than other patients. One patient developed acute kidney injury. Information on sport practice and physical training in the capital region was not available. Exertional rhabdomyolysis is uncommon but mostly affects younger people. Information on the practice of exertion among males and females is not available but CK-levels were not significantly different between genders, age groups or different muscle groups. CK-levels were high but complications uncommon. Studies of exertional rhabdomyolysis in the general population are lacking. Rhabdomyolysis, exertion, sports, physical training, CK elevation. Correspondence: Brynjolfur Mogensen, brynmog@landspitali.is.

Influence of nuclear de-excitation on observables relevant for space exploration

NASA Astrophysics Data System (ADS)

Mancusi, Davide; Boudard, Alain; Cugnon, Joseph; David, Jean-Christophe; Leray, Sylvie

The composition of the space radiation environment inside spacecrafts is modified by the inter-action with shielding material, with equipment and even with the astronauts' bodies. Accurate quantitative estimates of the effects of nuclear reactions are necessary, for example, for dose estimation and prediction of single-event upset rates. To this end, it is necessary to construct predictive models for nuclear reactions, which usually consist of an intranuclear-cascade or quantum-molecular-dynamics stage, followed by a nuclear de-excitation stage. While it is generally acknowledged that it is necessary to accurately simulate the first reaction stage, transport-code users often neglect or underestimate the importance of the choice of the de-excitation code. The purpose of this work is to prove that the de-excitation model is in fact a non-negligible source of uncertainty for the prediction of several observables of crucial importance for space applications. For some particular observables, such as fragmentation cross sections, the systematic uncertainty due to the de-excitation model actually dominates the theoretical error. Our point will be illustrated by making use of calculations performed with several intranuclear-cascade/de-excitation models, such as the Li`ge Intranuclear Cascade model (INCL) and Isabel (for the cascade part) and ABLA, GEMINI++ and SMM (on the de-excitation side). We will also rely on the results of the recent IAEA intercomparison of spallation models, which can be used as informative groundwork for the evaluation of the global uncertainties involved in nucleon-nucleus reactions.

Estimation of relative biological effectiveness for boron neutron capture therapy using the PHITS code coupled with a microdosimetric kinetic model.

PubMed

Horiguchi, Hironori; Sato, Tatsuhiko; Kumada, Hiroaki; Yamamoto, Tetsuya; Sakae, Takeji

2015-03-01

The absorbed doses deposited by boron neutron capture therapy (BNCT) can be categorized into four components: α and (7)Li particles from the (10)B(n, α)(7)Li reaction, 0.54-MeV protons from the (14)N(n, p)(14)C reaction, the recoiled protons from the (1)H(n, n) (1)H reaction, and photons from the neutron beam and (1)H(n, γ)(2)H reaction. For evaluating the irradiation effect in tumors and the surrounding normal tissues in BNCT, it is of great importance to estimate the relative biological effectiveness (RBE) for each dose component in the same framework. We have, therefore, established a new method for estimating the RBE of all BNCT dose components on the basis of the microdosimetric kinetic model. This method employs the probability density of lineal energy, y, in a subcellular structure as the index for expressing RBE, which can be calculated using the microdosimetric function implemented in the particle transport simulation code (PHITS). The accuracy of this method was tested by comparing the calculated RBE values with corresponding measured data in a water phantom irradiated with an epithermal neutron beam. The calculation technique developed in this study will be useful for biological dose estimation in treatment planning for BNCT. © The Author 2014. Published by Oxford University Press on behalf of The Japan Radiation Research Society and Japanese Society for Radiation Oncology.

Simulation of Aerosols and Chemistry with a Unified Global Model

NASA Technical Reports Server (NTRS)

Chin, Mian

2004-01-01

This project is to continue the development of the global simulation capabilities of tropospheric and stratospheric chemistry and aerosols in a unified global model. This is a part of our overall investigation of aerosol-chemistry-climate interaction. In the past year, we have enabled the tropospheric chemistry simulations based on the GEOS-CHEM model, and added stratospheric chemical reactions into the GEOS-CHEM such that a globally unified troposphere-stratosphere chemistry and transport can be simulated consistently without any simplifications. The tropospheric chemical mechanism in the GEOS-CHEM includes 80 species and 150 reactions. 24 tracers are transported, including O3, NOx, total nitrogen (NOy), H2O2, CO, and several types of hydrocarbon. The chemical solver used in the GEOS-CHEM model is a highly accurate sparse-matrix vectorized Gear solver (SMVGEAR). The stratospheric chemical mechanism includes an additional approximately 100 reactions and photolysis processes. Because of the large number of total chemical reactions and photolysis processes and very different photochemical regimes involved in the unified simulation, the model demands significant computer resources that are currently not practical. Therefore, several improvements will be taken, such as massive parallelization, code optimization, or selecting a faster solver. We have also continued aerosol simulation (including sulfate, dust, black carbon, organic carbon, and sea-salt) in the global model to cover most of year 2002. These results have been made available to many groups worldwide and accessible from the website http://code916.gsfc.nasa.gov/People/Chin/aot.html.

Neutrino-induced reactions on nuclei

NASA Astrophysics Data System (ADS)

Gallmeister, K.; Mosel, U.; Weil, J.

2016-09-01

Background: Long-baseline experiments such as the planned deep underground neutrino experiment (DUNE) require theoretical descriptions of the complete event in a neutrino-nucleus reaction. Since nuclear targets are used this requires a good understanding of neutrino-nucleus interactions. Purpose: Develop a consistent theory and code framework for the description of lepton-nucleus interactions that can be used to describe not only inclusive cross sections, but also the complete final state of the reaction. Methods: The Giessen-Boltzmann-Uehling-Uhlenbeck (GiBUU) implementation of quantum-kinetic transport theory is used, with improvements in its treatment of the nuclear ground state and of 2p2h interactions. For the latter an empirical structure function from electron scattering data is used as a basis. Results: Results for electron-induced inclusive cross sections are given as a necessary check for the overall quality of this approach. The calculated neutrino-induced inclusive double-differential cross sections show good agreement data from neutrino and antineutrino reactions for different neutrino flavors at MiniBooNE and T2K. Inclusive double-differential cross sections for MicroBooNE, NOvA, MINERvA, and LBNF/DUNE are given. Conclusions: Based on the GiBUU model of lepton-nucleus interactions a good theoretical description of inclusive electron-, neutrino-, and antineutrino-nucleus data over a wide range of energies, different neutrino flavors, and different experiments is now possible. Since no tuning is involved this theory and code should be reliable also for new energy regimes and target masses.

Ten-year review reveals changing trends and severity of allergic reactions to nuts and other foods.

PubMed

Johnson, Jennifer; Malinovschi, Andrei; Alving, Kjell; Lidholm, Jonas; Borres, Magnus P; Nordvall, Lennart

2014-08-01

Over the past few decades, the incidence of food allergies has risen and Sweden has increased its import of peanuts and exotic nuts, such as cashew nuts, which may cause severe allergic reactions. This study aimed to retrospectively investigate paediatric emergency visits due to food reactions over a 10-year period, focusing on reactions to peanuts and tree nuts. Emergency visits to Uppsala University Children's Hospital, Sweden, between September 2001 and December 2010, were reviewed, and cases containing diagnostic codes for anaphylaxis, allergic reactions or allergy and hypersensitivity not caused by drugs or biological substances were retrieved. We analysed 703 emergency visits made by 578 individuals with food allergies. Peanuts and tree nuts accounted for 50% of the food allergies and were more frequently associated with adrenaline treatment and hospitalisation than other foods. Cashew nut reactions increased over the study period, and together with peanuts, they were responsible for more anaphylactic reactions than hazelnuts. Peanut and tree nut reactions were more likely to result in adrenaline treatment and hospitalisation than other food reactions. Peanut and cashew nut reactions were more likely to cause anaphylaxis than hazelnuts. Cashew nut reactions increased during the study period. ©2014 Foundation Acta Paediatrica. Published by John Wiley & Sons Ltd.

Neutron production cross sections for (d,n) reactions at 55 MeV

NASA Astrophysics Data System (ADS)

Wakasa, T.; Goto, S.; Matsuno, M.; Mitsumoto, S.; Okada, T.; Oshiro, H.; Sakaguchi, S.

2017-08-01

The cross sections for (d,n) reactions on {}^natC-{}^{197}Au have been measured at a bombarding energy of 55 MeV and a laboratory scattering angle of θ_lab = 9.5°. The angular distributions for the {}^natC(d,n) reaction have also been obtained at θ_lab = 0°-40°. The neutron energy spectra are dominated by deuteron breakup contributions and their peak positions can be reasonably reproduced by considering the Coulomb force effects. The data are compared with the TENDL-2015 nuclear data and Particle and Heavy Ion Transport code System (PHITS) calculations. Both calculations fail to reproduce the measured energy spectra and angular distributions.

Activation cross sections of the 64Ni(d,2n) reaction for the production of the medical radionuclide 64Cu

NASA Astrophysics Data System (ADS)

Hermanne, A.; Tárkányi, F.; Takács, S.; Kovalev, S. F.; Ignatyuk, A.

2007-05-01

Deuteron particle induced reactions for generation of 64Cu used in diagnostic and therapeutic nuclear medicine and its possible short lived contaminant 61Cu were investigated with the stacked foil activation technique on natural nickel targets up to Ed = 20.5 MeV. Excitation functions for the reactions 64Ni(d,2n) 64Cu and natNi(d, x) 61Cu are obtained by gamma spectroscopy and are compared with earlier literature values. Thick target yields have been deduced from the experimental cross sections and the predictive capability of the ALICE-IPPE, EMPIRE II and GNASH model codes is tested.

Dosimetric and microdosimetric analyses for blood exposed to reactor-derived thermal neutrons.

PubMed

Ali, F; Atanackovic, J; Boyer, C; Festarini, A; Kildea, J; Paterson, L C; Rogge, R; Stuart, M; Richardson, R B

2018-06-06

Thermal neutrons are found in reactor, radiotherapy, aircraft, and space environments. The purpose of this study was to characterise the dosimetry and microdosimetry of thermal neutron exposures, using three simulation codes, as a precursor to quantitative radiobiological studies using blood samples. An irradiation line was designed employing a pyrolytic graphite crystal or-alternatively-a super mirror to expose blood samples to thermal neutrons from the National Research Universal reactor to determine radiobiological parameters. The crystal was used when assessing the relative biological effectiveness for dicentric chromosome aberrations, and other biomarkers, in lymphocytes over a low absorbed dose range of 1.2-14 mGy. Higher exposures using a super mirror will allow the additional quantification of mitochondrial responses. The physical size of the thermal neutron fields and their respective wavelength distribution was determined using the McStas Monte Carlo code. Spinning the blood samples produced a spatially uniform absorbed dose as determined from Monte Carlo N-Particle version 6 simulations. The major part (71%) of the total absorbed dose to blood was determined to be from the 14 N(n,p) 14 C reaction and the remainder from the 1 H(n,γ) 2 H reaction. Previous radiobiological experiments at Canadian Nuclear Laboratories involving thermal neutron irradiation of blood yielded a relative biological effectiveness of 26 ± 7. Using the Particle and Heavy Ion Transport Code System, a similar value of ∼19 for the quality factor of thermal neutrons initiating the 14 N(n,p) 14 C reaction in soft tissue was determined by microdosimetric simulations. This calculated quality factor is of similar high value to the experimentally-derived relative biological effectiveness, and indicates the potential of thermal neutrons to induce deleterious health effects in superficial organs such as cataracts of the eye lens.

Level densities of residual nuclei from the reactions ^6Li on ^58Fe and ^7Li on ^57Fe

NASA Astrophysics Data System (ADS)

Oginni, Babatunde; Grimes, Steven; Voinov, Alexander; Adekola, Aderemi; Brune, Carl; Heinen, Zachary; Hornish, Michael; Massey, Thomas; Matei, Catalin; Carter, Don; O'Donnell, John

2008-04-01

The reactions ^6Li on ^58Fe and ^7Li on ^57Fe have been studied; these two reactions give the same compound nucleus, ^64Cu. The neutron, proton and alpha spectra were measured at backward angles, and the level densities of the residual nuclei from the particle evaporation spectra have been obtained. The contribution of the breakup mechanism to the reaction cross-section was studied from ^6Li on ^197Au reaction. The data obtained have been compared with Hauser Feshbach model calculations performed with HF and Empire codes. Three other reactions were also studied to see how level densities change as we move away from the nuclear stability line. These are: ^18O on ^64Ni reaction, this gives ^82Kr as compound nucleus which is on the stability line; ^24Mg on ^58Fe, this gives ^82Sr as compound nucleus and ^24Mg on ^58Ni which gives ^82Zr as compound nucleus; these are two and four steps away from the stability line respectively. Some results are presented.

Simulations of an accelerator-based shielding experiment using the particle and heavy-ion transport code system PHITS.

PubMed

Sato, T; Sihver, L; Iwase, H; Nakashima, H; Niita, K

2005-01-01

In order to estimate the biological effects of HZE particles, an accurate knowledge of the physics of interaction of HZE particles is necessary. Since the heavy ion transport problem is a complex one, there is a need for both experimental and theoretical studies to develop accurate transport models. RIST and JAERI (Japan), GSI (Germany) and Chalmers (Sweden) are therefore currently developing and bench marking the General-Purpose Particle and Heavy-Ion Transport code System (PHITS), which is based on the NMTC and MCNP for nucleon/meson and neutron transport respectively, and the JAM hadron cascade model. PHITS uses JAERI Quantum Molecular Dynamics (JQMD) and the Generalized Evaporation Model (GEM) for calculations of fission and evaporation processes, a model developed at NASA Langley for calculation of total reaction cross sections, and the SPAR model for stopping power calculations. The future development of PHITS includes better parameterization in the JQMD model used for the nucleus-nucleus reactions, and improvement of the models used for calculating total reaction cross sections, and addition of routines for calculating elastic scattering of heavy ions, and inclusion of radioactivity and burn up processes. As a part of an extensive bench marking of PHITS, we have compared energy spectra of secondary neutrons created by reactions of HZE particles with different targets, with thicknesses ranging from <1 to 200 cm. We have also compared simulated and measured spatial, fluence and depth-dose distributions from different high energy heavy ion reactions. In this paper, we report simulations of an accelerator-based shielding experiment, in which a beam of 1 GeV/n Fe-ions has passed through thin slabs of polyethylene, Al, and Pb at an acceptance angle up to 4 degrees. c2005 Published by Elsevier Ltd on behalf of COSPAR.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species with Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2014-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for near-equilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion.

Patient information leaflets: informing or frightening? A focus group study exploring patients' emotional reactions and subsequent behavior towards package leaflets of commonly prescribed medications in family practices.

PubMed

Herber, Oliver Rudolf; Gies, Verena; Schwappach, David; Thürmann, Petra; Wilm, Stefan

2014-10-02

The purpose of patient information leaflets (PILs) is to inform patients about the administration, precautions and potential side effects of their prescribed medication. Despite European Commission guidelines aiming at increasing readability and comprehension of PILs little is known about the potential risk information has on patients. This article explores patients' reactions and subsequent behavior towards risk information conveyed in PILs of commonly prescribed drugs by general practitioners (GPs) for the treatment of Type 2 diabetes, hypertension or hypercholesterolemia; the most frequent cause for consultations in family practices in Germany. We conducted six focus groups comprising 35 patients which were recruited in GP practices. Transcripts were read and coded for themes; categories were created by abstracting data and further refined into a coding framework. Three interrelated categories are presented: (i) The vast amount of side effects and drug interactions commonly described in PILs provoke various emotional reactions in patients which (ii) lead to specific patient behavior of which (iii) consulting the GP for assistance is among the most common. Findings show that current description of potential risk information caused feelings of fear and anxiety in the reader resulting in undesirable behavioral reactions. Future PILs need to convey potential risk information in a language that is less frightening while retaining the information content required to make informed decisions about the prescribed medication. Thus, during the production process greater emphasis needs to be placed on testing the degree of emotional arousal provoked in patients when reading risk information to allow them to undertake a benefit-risk-assessment of their medication that is based on rational rather than emotional (fearful) reactions.

Incorporation of a Chemical Equilibrium Equation of State into LOCI-Chem

NASA Technical Reports Server (NTRS)

Cox, Carey F.

2005-01-01

Renewed interest in development of advanced high-speed transport, reentry vehicles and propulsion systems has led to a resurgence of research into high speed aerodynamics. As this flow regime is typically dominated by hot reacting gaseous flow, efficient models for the characteristic chemical activity are necessary for accurate and cost effective analysis and design of aerodynamic vehicles that transit this regime. The LOCI-Chem code recently developed by Ed Luke at Mississippi State University for NASA/MSFC and used by NASA/MSFC and SSC represents an important step in providing an accurate, efficient computational tool for the simulation of reacting flows through the use of finite-rate kinetics [3]. Finite rate chemistry however, requires the solution of an additional N-1 species mass conservation equations with source terms involving reaction kinetics that are not fully understood. In the equilibrium limit, where the reaction rates approach infinity, these equations become very stiff. Through the use of the assumption of local chemical equilibrium the set of governing equations is reduced back to the usual gas dynamic equations, and thus requires less computation, while still allowing for the inclusion of reacting flow phenomenology. The incorporation of a chemical equilibrium equation of state module into the LOCI-Chem code was the primary objective of the current research. The major goals of the project were: (1) the development of a chemical equilibrium composition solver, and (2) the incorporation of chemical equilibrium solver into LOCI-Chem. Due to time and resource constraints, code optimization was not considered unless it was important to the proper functioning of the code.

CHEETAH: A fast thermochemical code for detonation

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

Fried, L.E.

1993-11-01

For more than 20 years, TIGER has been the benchmark thermochemical code in the energetic materials community. TIGER has been widely used because it gives good detonation parameters in a very short period of time. Despite its success, TIGER is beginning to show its age. The program`s chemical equilibrium solver frequently crashes, especially when dealing with many chemical species. It often fails to find the C-J point. Finally, there are many inconveniences for the user stemming from the programs roots in pre-modern FORTRAN. These inconveniences often lead to mistakes in preparing input files and thus erroneous results. We are producingmore » a modern version of TIGER, which combines the best features of the old program with new capabilities, better computational algorithms, and improved packaging. The new code, which will evolve out of TIGER in the next few years, will be called ``CHEETAH.`` Many of the capabilities that will be put into CHEETAH are inspired by the thermochemical code CHEQ. The new capabilities of CHEETAH are: calculate trace levels of chemical compounds for environmental analysis; kinetics capability: CHEETAH will predict chemical compositions as a function of time given individual chemical reaction rates. Initial application: carbon condensation; CHEETAH will incorporate partial reactions; CHEETAH will be based on computer-optimized JCZ3 and BKW parameters. These parameters will be fit to over 20 years of data collected at LLNL. We will run CHEETAH thousands of times to determine the best possible parameter sets; CHEETAH will fit C-J data to JWL`s,and also predict full-wall and half-wall cylinder velocities.« less

Recovery Act: An Integrated Experimental and Numerical Study: Developing a Reaction Transport Model that Couples Chemical Reactions of Mineral Dissolution/Precipitation with Spatial and Temporal Flow Variations.

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

Saar, Martin O.; Seyfried, Jr., William E.; Longmire, Ellen K.

2016-06-24

A total of 12 publications and 23 abstracts were produced as a result of this study. In particular, the compilation of a thermodynamic database utilizing consistent, current thermodynamic data is a major step toward accurately modeling multi-phase fluid interactions with solids. Existing databases designed for aqueous fluids did not mesh well with existing solid phase databases. Addition of a second liquid phase (CO2) magnifies the inconsistencies between aqueous and solid thermodynamic databases. Overall, the combination of high temperature and pressure lab studies (task 1), using a purpose built apparatus, and solid characterization (task 2), using XRCT and more developed technologies,more » allowed observation of dissolution and precipitation processes under CO2 reservoir conditions. These observations were combined with results from PIV experiments on multi-phase fluids (task 3) in typical flow path geometries. The results of the tasks 1, 2, and 3 were compiled and integrated into numerical models utilizing Lattice-Boltzmann simulations (task 4) to realistically model the physical processes and were ultimately folded into TOUGH2 code for reservoir scale modeling (task 5). Compilation of the thermodynamic database assisted comparisons to PIV experiments (Task 3) and greatly improved Lattice Boltzmann (Task 4) and TOUGH2 simulations (Task 5). PIV (Task 3) and experimental apparatus (Task 1) have identified problem areas in TOUGHREACT code. Additional lab experiments and coding work has been integrated into an improved numerical modeling code.« less

Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

DOE PAGES

Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; ...

2014-12-31

Carbon stable isotopes can be used in characterization and monitoring of CO 2 sequestration sites to track the migration of the CO 2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO 2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO 2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport modulemore » of TOUGHREACT was modified to include separate isotopic species of CO 2 gas and dissolved inorganic carbon (CO 2, CO 3 2-, HCO 3 -,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO 2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

49 CFR 535.4 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

... subclassification within a test group which is based on engine code, transmission type and gear ratios, final drive... the non-combustion reaction of a consumable fuel, typically hydrogen. Fuel cell electric vehicle means...-groups in each regulatory category to which fuel consumption requirements apply, and are defined as...

Additional and revised thermochemical data and computer code for WATEQ2: a computerized chemical model for trace and major element speciation and mineral equilibria of natural waters

USGS Publications Warehouse

Ball, James W.; Nordstrom, D. Kirk; Jenne, Everett A.

1980-01-01

A computerized chemical model, WATEQ2, has resulted from extensive additions to and revision of the WATEQ model of Truesdell and Jones (Truesdell, A. H., and Jones, B. F., 1974, WATEQ, a computer program for calculating chemical equilibria of natural waters: J. Res. U. S. Geol, Survey, v. 2, p. 233-274). The model building effort has necessitated searching the literature and selecting thermochemical data pertinent to the reactions added to the model. This supplementary report manes available the details of the reactions added to the model together with the selected thermochemical data and their sources. Also listed are details of program operation and a brief description of the output of the model. Appendices-contain a glossary of identifiers used in the PL/1 computer code, the complete PL/1 listing, and sample output from three water analyses used as test cases.

Repetition priming of face recognition in a serial choice reaction-time task.

PubMed

Roberts, T; Bruce, V

1989-05-01

Marshall & Walker (1987) found that pictorial stimuli yield visual priming that is disrupted by an unpredictable visual event in the response-stimulus interval. They argue that visual stimuli are represented in memory in the form of distinct visual and object codes. Bruce & Young (1986) propose similar pictorial, structural and semantic codes which mediate the recognition of faces, yet repetition priming results obtained with faces as stimuli (Bruce & Valentine, 1985), and with objects (Warren & Morton, 1982) are quite different from those of Marshall & Walker (1987), in the sense that recognition is facilitated by pictures presented 20 minutes earlier. The experiment reported here used different views of familiar and unfamiliar faces as stimuli in a serial choice reaction-time task and found that, with identical pictures, repetition priming survives and intervening item requiring a response, with both familiar and unfamiliar faces. Furthermore, with familiar faces such priming was present even when the view of the prime was different from the target. The theoretical implications of these results are discussed.

BEARKIMPE-2: A VBA Excel program for characterizing granular iron in treatability studies

NASA Astrophysics Data System (ADS)

Firdous, R.; Devlin, J. F.

2014-02-01

The selection of a suitable kinetic model to investigate the reaction rate of a contaminant with granular iron (GI) is essential to optimize the permeable reactive barrier (PRB) performance in terms of its reactivity. The newly developed Kinetic Iron Model (KIM) determines the surface rate constant (k) and sorption parameters (Cmax &J) which were not possible to uniquely identify previously. The code was written in Visual Basic (VBA), within Microsoft Excel, was adapted from earlier command line FORTRAN codes, BEARPE and KIMPE. The program is organized with several user interface screens (UserForms) that guide the user step by step through the analysis. BEARKIMPE-2 uses a non-linear optimization algorithm to calculate transport and chemical kinetic parameters. Both reactive and non-reactive sites are considered. A demonstration of the functionality of BEARKIMPE-2, with three nitroaromatic compounds showed that the differences in reaction rates for these compounds could be attributed to differences in their sorption behavior rather than their propensities to accept electrons in the reduction process.

Updated Chemical Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

2005-01-01

An updated version of the General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code has become available. A prior version of LSENS was described in "Program Helps to Determine Chemical-Reaction Mechanisms" (LEW-15758), NASA Tech Briefs, Vol. 19, No. 5 (May 1995), page 66. To recapitulate: LSENS solves complex, homogeneous, gas-phase, chemical-kinetics problems (e.g., combustion of fuels) that are represented by sets of many coupled, nonlinear, first-order ordinary differential equations. LSENS has been designed for flexibility, convenience, and computational efficiency. The present version of LSENS incorporates mathematical models for (1) a static system; (2) steady, one-dimensional inviscid flow; (3) reaction behind an incident shock wave, including boundary layer correction; (4) a perfectly stirred reactor; and (5) a perfectly stirred reactor followed by a plug-flow reactor. In addition, LSENS can compute equilibrium properties for the following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static and one-dimensional-flow problems, including those behind an incident shock wave and following a perfectly stirred reactor calculation, LSENS can compute sensitivity coefficients of dependent variables and their derivatives, with respect to the initial values of dependent variables and/or the rate-coefficient parameters of the chemical reactions.

Measurement of the 234U(n, f ) cross-section with quasi-monoenergetic beams in the keV and MeV range using a Micromegas detector assembly

NASA Astrophysics Data System (ADS)

Stamatopoulos, A.; Kanellakopoulos, A.; Kalamara, A.; Diakaki, M.; Tsinganis, A.; Kokkoris, M.; Michalopoulou, V.; Axiotis, M.; Lagoyiannis, A.; Vlastou, R.

2018-01-01

The 234U neutron-induced fission cross-section has been measured at incident neutron energies of 452, 550, 651 keV and 7.5, 8.7, 10 MeV using the 7Li ( p, n) and the 2H( d, n) reactions, respectively, relative to the 235U( n, f ) and 238U( n, f ) reference reactions. The measurement was performed at the neutron beam facility of the National Center for Scientific Research "Demokritos", using a set-up based on Micromegas detectors. The active mass of the actinide samples and the corresponding impurities were determined via α-spectroscopy using a surface barrier silicon detector. The neutron spectra intercepted by the actinide samples have been thoroughly studied by coupling the NeuSDesc and MCNP5 codes, taking into account the energy and angular straggling of the primary ion beams in the neutron source targets in addition to contributions from competing reactions ( e.g. deuteron break-up) and neutron scattering in the surrounding materials. Auxiliary Monte Carlo simulations were performed making combined use of the FLUKA and GEF codes, focusing particularly on the determination of the fission fragment detection efficiency. The developed methodology and the final results are presented.

Maestro and Castro: Simulation Codes for Astrophysical Flows

NASA Astrophysics Data System (ADS)

Zingale, Michael; Almgren, Ann; Beckner, Vince; Bell, John; Friesen, Brian; Jacobs, Adam; Katz, Maximilian P.; Malone, Christopher; Nonaka, Andrew; Zhang, Weiqun

2017-01-01

Stellar explosions are multiphysics problems—modeling them requires the coordinated input of gravity solvers, reaction networks, radiation transport, and hydrodynamics together with microphysics recipes to describe the physics of matter under extreme conditions. Furthermore, these models involve following a wide range of spatial and temporal scales, which puts tough demands on simulation codes. We developed the codes Maestro and Castro to meet the computational challenges of these problems. Maestro uses a low Mach number formulation of the hydrodynamics to efficiently model convection. Castro solves the fully compressible radiation hydrodynamics equations to capture the explosive phases of stellar phenomena. Both codes are built upon the BoxLib adaptive mesh refinement library, which prepares them for next-generation exascale computers. Common microphysics shared between the codes allows us to transfer a problem from the low Mach number regime in Maestro to the explosive regime in Castro. Importantly, both codes are freely available (https://github.com/BoxLib-Codes). We will describe the design of the codes and some of their science applications, as well as future development directions.Support for development was provided by NSF award AST-1211563 and DOE/Office of Nuclear Physics grant DE-FG02-87ER40317 to Stony Brook and by the Applied Mathematics Program of the DOE Office of Advance Scientific Computing Research under US DOE contract DE-AC02-05CH11231 to LBNL.

ICC-CLASS: isotopically-coded cleavable crosslinking analysis software suite

PubMed Central

2010-01-01

Background Successful application of crosslinking combined with mass spectrometry for studying proteins and protein complexes requires specifically-designed crosslinking reagents, experimental techniques, and data analysis software. Using isotopically-coded ("heavy and light") versions of the crosslinker and cleavable crosslinking reagents is analytically advantageous for mass spectrometric applications and provides a "handle" that can be used to distinguish crosslinked peptides of different types, and to increase the confidence of the identification of the crosslinks. Results Here, we describe a program suite designed for the analysis of mass spectrometric data obtained with isotopically-coded cleavable crosslinkers. The suite contains three programs called: DX, DXDX, and DXMSMS. DX searches the mass spectra for the presence of ion signal doublets resulting from the light and heavy isotopic forms of the isotopically-coded crosslinking reagent used. DXDX searches for possible mass matches between cleaved and uncleaved isotopically-coded crosslinks based on the established chemistry of the cleavage reaction for a given crosslinking reagent. DXMSMS assigns the crosslinks to the known protein sequences, based on the isotopically-coded and un-coded MS/MS fragmentation data of uncleaved and cleaved peptide crosslinks. Conclusion The combination of these three programs, which are tailored to the analytical features of the specific isotopically-coded cleavable crosslinking reagents used, represents a powerful software tool for automated high-accuracy peptide crosslink identification. See: http://www.creativemolecules.com/CM_Software.htm PMID:20109223

Computation of Reacting Flows in Combustion Processes

NASA Technical Reports Server (NTRS)

Keith, Theo G., Jr.; Chen, Kuo-Huey

1997-01-01

The main objective of this research was to develop an efficient three-dimensional computer code for chemically reacting flows. The main computer code developed is ALLSPD-3D. The ALLSPD-3D computer program is developed for the calculation of three-dimensional, chemically reacting flows with sprays. The ALL-SPD code employs a coupled, strongly implicit solution procedure for turbulent spray combustion flows. A stochastic droplet model and an efficient method for treatment of the spray source terms in the gas-phase equations are used to calculate the evaporating liquid sprays. The chemistry treatment in the code is general enough that an arbitrary number of reaction and species can be defined by the users. Also, it is written in generalized curvilinear coordinates with both multi-block and flexible internal blockage capabilities to handle complex geometries. In addition, for general industrial combustion applications, the code provides both dilution and transpiration cooling capabilities. The ALLSPD algorithm, which employs the preconditioning and eigenvalue rescaling techniques, is capable of providing efficient solution for flows with a wide range of Mach numbers. Although written for three-dimensional flows in general, the code can be used for two-dimensional and axisymmetric flow computations as well. The code is written in such a way that it can be run in various computer platforms (supercomputers, workstations and parallel processors) and the GUI (Graphical User Interface) should provide a user-friendly tool in setting up and running the code.

Adding kinetics and hydrodynamics to the CHEETAH thermochemical code

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

Fried, L.E., Howard, W.M., Souers, P.C.

1997-01-15

In FY96 we released CHEETAH 1.40, which made extensive improvements on the stability and user friendliness of the code. CHEETAH now has over 175 users in government, academia, and industry. Efforts have also been focused on adding new advanced features to CHEETAH 2.0, which is scheduled for release in FY97. We have added a new chemical kinetics capability to CHEETAH. In the past, CHEETAH assumed complete thermodynamic equilibrium and independence of time. The addition of a chemical kinetic framework will allow for modeling of time-dependent phenomena, such as partial combustion and detonation in composite explosives with large reaction zones. Wemore » have implemented a Wood-Kirkwood detonation framework in CHEETAH, which allows for the treatment of nonideal detonations and explosive failure. A second major effort in the project this year has been linking CHEETAH to hydrodynamic codes to yield an improved HE product equation of state. We have linked CHEETAH to 1- and 2-D hydrodynamic codes, and have compared the code to experimental data. 15 refs., 13 figs., 1 tab.« less

Microdosimetric evaluation of the neutron field for BNCT at Kyoto University reactor by using the PHITS code.

PubMed

Baba, H; Onizuka, Y; Nakao, M; Fukahori, M; Sato, T; Sakurai, Y; Tanaka, H; Endo, S

2011-02-01

In this study, microdosimetric energy distributions of secondary charged particles from the (10)B(n,α)(7)Li reaction in boron-neutron capture therapy (BNCT) field were calculated using the Particle and Heavy Ion Transport code System (PHITS). The PHITS simulation was performed to reproduce the geometrical set-up of an experiment that measured the microdosimetric energy distributions at the Kyoto University Reactor where two types of tissue-equivalent proportional counters were used, one with A-150 wall alone and another with a 50-ppm-boron-loaded A-150 wall. It was found that the PHITS code is a useful tool for the simulation of the energy deposited in tissue in BNCT based on the comparisons with experimental results.

Nuclear Forensics and Radiochemistry: Reaction Networks

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

Rundberg, Robert S.

In the intense neutron flux of a nuclear explosion the production of isotopes may occur through successive neutron induced reactions. The pathway to these isotopes illustrates both the complexity of the problem and the need for high quality nuclear data. The growth and decay of radioactive isotopes can follow a similarly complex network. The Bateman equation will be described and modified to apply to the transmutation of isotopes in a high flux reactor. A alternative model of growth and decay, the GD code, that can be applied to fission products will also be described.

First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion

NASA Astrophysics Data System (ADS)

Surendralal, Sudarsan; Todorova, Mira; Finnis, Michael W.; Neugebauer, Jörg

2018-06-01

Combining concepts of semiconductor physics and corrosion science, we develop a novel approach that allows us to perform ab initio calculations under controlled potentiostat conditions for electrochemical systems. The proposed approach can be straightforwardly applied in standard density functional theory codes. To demonstrate the performance and the opportunities opened by this approach, we study the chemical reactions that take place during initial corrosion at the water-Mg interface under anodic polarization. Based on this insight, we derive an atomistic model that explains the origin of the anodic hydrogen evolution.

The Relevance of the De Broglie Velocity (V sub 1 = h/2md sub 1) to Shock Loading Induced Reactions in Lead Azide

DTIC Science & Technology

1991-09-01

CODES 18. SUBJECT TERMS (Continue on reverse if necessary and identify by block number) FIELD GROUP SUB-GROUP De Broglie Velocity Detonation Particle...Velocity Shock Induced Reaction I Lead Azide 19. ABSTRACT (Continue on reverse if necessary and identify by biock number) Availabl e experimental shock...induced reactive pressure levels for dextrinated and single crystal lead azide are compared to predicted Pv1 magnitudes. PV1 = P. CL V1 where V, = h

Effect of non-equilibrium flow chemistry on the heating distribution over the MESUR forebody during a Martian entry

NASA Technical Reports Server (NTRS)

Chen, Yih-Kang

1992-01-01

Effect of flow field properties on the heating distribution over a 140 deg blunt cone was determined for a Martian atmosphere using Euler, Navier-Stokes (NS), viscous shock layer (VSL), and reacting boundary layer (BLIMPK) equations. The effect of gas kinetics on the flow field and the surface heating distribution were investigated. Gas models with nine species and nine reactions were implemented into the codes. Effects of surface catalysis on the heating distribution were studied using a surface kinetics model having five reactions.

An Investigation of the Dual Task Performance Relationship to Hemispheric Specialization.

DTIC Science & Technology

1980-06-01

described in Appendix A, were conducted to ensure descriminability of the stimuli from each other, and to ensure that none would be readily verbally coded...cerebral hemipsheres in descriminative reaction time to physiognomical and alphabetical material. Brain, 1971, 94, 431-442. Rollins, H. & Hendricks

Sequence differences in the diagnostic region of the cysteine protease 8 gene of Tritrichomonas foetus parasites of cats and cattle.

PubMed

Sun, Zichen; Stack, Colin; Šlapeta, Jan

2012-05-25

In order to investigate the genetic variation between Tritrichomonas foetus from bovine and feline origins, cysteine protease 8 (CP8) coding sequence was selected as the polymorphic DNA marker. Direct sequencing of CP8 coding sequence of T. foetus from four feline isolates and two bovine isolates with polymerase chain reaction successfully revealed conserved nucleotide polymorphisms between feline and bovine isolates. These results provide useful information for CP8-based molecular differentiation of T. foetus genotypes. Copyright © 2011 Elsevier B.V. All rights reserved.

Extension of the BRYNTRN code to monoenergetic light ion beams

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Wilson, John W.; Badavi, Francis F.

1994-01-01

A monoenergetic version of the BRYNTRN transport code is extended to beam transport of light ions (H-2, H-3, He-3, and He-4) in shielding materials (thick targets). The redistribution of energy in nuclear reactions is included in transport solutions that use nuclear fragmentation models. We also consider an equilibrium target-fragment spectrum for nuclei with mass number greater than four to include target fragmentation effects in the linear energy transfer (LET) spectrum. Illustrative results for water and aluminum shielding, including energy and LET spectra, are discussed for high-energy beams of H-2 and He-4.

Extension of CE/SE method to non-equilibrium dissociating flows

NASA Astrophysics Data System (ADS)

Wen, C. Y.; Saldivar Massimi, H.; Shen, H.

2018-03-01

In this study, the hypersonic non-equilibrium flows over rounded nose geometries are numerically investigated by a robust conservation element and solution element (CE/SE) code, which is based on hybrid meshes consisting of triangular and quadrilateral elements. The dissociating and recombination chemical reactions as well as the vibrational energy relaxation are taken into account. The stiff source terms are solved by an implicit trapezoidal method of integration. Comparison with laboratory and numerical cases are provided to demonstrate the accuracy and reliability of the present CE/SE code in simulating hypersonic non-equilibrium flows.

Three-dimensional modeling of the neutron spectrum to infer plasma conditions in cryogenic inertial confinement fusion implosions

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

Weilacher, F.; Radha, P. B.; Forrest, C.

Neutron-based diagnostics are typically used to infer compressed core conditions such as areal density and ion temperature in deuterium–tritium (D–T) inertial confinement fusion (ICF) implosions. Asymmetries in the observed neutron-related quantities are important to understanding failure modes in these implosions. Neutrons from fusion reactions and their subsequent interactions including elastic scattering and neutron-induced deuteron breakup reactions are tracked to create spectra. Here, it is shown that background subtraction is important for inferring areal density from backscattered neutrons and is less important for the forward-scattered neutrons. A three-dimensional hydrodynamic simulation of a cryogenic implosion on the OMEGA Laser System [T. R.more » Boehly et al., Opt. Commun. 133, 495 (1997)] using the hydrodynamic code HYDRA [M. M. Marinak et al., Phys. Plasmas 8, 2275 (2001)] is post-processed using the tracking code IRIS3D. It is shown that different parts of the neutron spectrum from the view can be mapped into different regions of the implosion, enabling an inference of an areal-density map. It is also shown that the average areal-density and an areal-density map of the compressed target can be reconstructed with a finite number of detectors placed around the target chamber. Ion temperatures are inferred from the width of the D–D and D–T fusion neutron spectra. Backgrounds can significantly alter the inferred ion temperatures from the D–D reaction, whereas they insignificantly influence the inferred D–T ion temperatures for the areal densities typical of OMEGA implosions. Asymmetries resulting in fluid flow in the core are shown to influence the absolute inferred ion temperatures from both reactions, although relative inferred values continue to reflect the underlying asymmetry pattern. The work presented here is part of the wide range of the first set of studies performed with IRIS3D. Finally, this code will continue to be used for post-processing detailed hydrodynamic simulations and interpreting observed neutron spectra in ICF implosions.« less

Three-dimensional modeling of the neutron spectrum to infer plasma conditions in cryogenic inertial confinement fusion implosions

DOE PAGES

Weilacher, F.; Radha, P. B.; Forrest, C.

2018-04-26

Neutron-based diagnostics are typically used to infer compressed core conditions such as areal density and ion temperature in deuterium–tritium (D–T) inertial confinement fusion (ICF) implosions. Asymmetries in the observed neutron-related quantities are important to understanding failure modes in these implosions. Neutrons from fusion reactions and their subsequent interactions including elastic scattering and neutron-induced deuteron breakup reactions are tracked to create spectra. Here, it is shown that background subtraction is important for inferring areal density from backscattered neutrons and is less important for the forward-scattered neutrons. A three-dimensional hydrodynamic simulation of a cryogenic implosion on the OMEGA Laser System [T. R.more » Boehly et al., Opt. Commun. 133, 495 (1997)] using the hydrodynamic code HYDRA [M. M. Marinak et al., Phys. Plasmas 8, 2275 (2001)] is post-processed using the tracking code IRIS3D. It is shown that different parts of the neutron spectrum from the view can be mapped into different regions of the implosion, enabling an inference of an areal-density map. It is also shown that the average areal-density and an areal-density map of the compressed target can be reconstructed with a finite number of detectors placed around the target chamber. Ion temperatures are inferred from the width of the D–D and D–T fusion neutron spectra. Backgrounds can significantly alter the inferred ion temperatures from the D–D reaction, whereas they insignificantly influence the inferred D–T ion temperatures for the areal densities typical of OMEGA implosions. Asymmetries resulting in fluid flow in the core are shown to influence the absolute inferred ion temperatures from both reactions, although relative inferred values continue to reflect the underlying asymmetry pattern. The work presented here is part of the wide range of the first set of studies performed with IRIS3D. Finally, this code will continue to be used for post-processing detailed hydrodynamic simulations and interpreting observed neutron spectra in ICF implosions.« less

Monte Carlo source simulation technique for solution of interference reactions in INAA experiments: a preliminary report

NASA Astrophysics Data System (ADS)

Allaf, M. Athari; Shahriari, M.; Sohrabpour, M.

2004-04-01

A new method using Monte Carlo source simulation of interference reactions in neutron activation analysis experiments has been developed. The neutron spectrum at the sample location has been simulated using the Monte Carlo code MCNP and the contributions of different elements to produce a specified gamma line have been determined. The produced response matrix has been used to measure peak areas and the sample masses of the elements of interest. A number of benchmark experiments have been performed and the calculated results verified against known values. The good agreement obtained between the calculated and known values suggests that this technique may be useful for the elimination of interference reactions in neutron activation analysis.

On the ion-pair dissociation mechanisms in the small NaCl·(H2 O)6 cluster: A perspective from reaction path search calculations.

PubMed

Takayanagi, Toshiyuki; Nakatomi, Taiki; Yonetani, Yoshiteru

2018-04-20

We performed reaction path search calculations for the NaCl·(H 2 O) 6 cluster using the global reaction route mapping (GRRM) code to understand the atomic-level mechanisms of the NaCl → Na +  + Cl - ionic dissociation induced by water solvents. Low-lying minima, transition states connecting two local minima and corresponding intrinsic reaction coordinates on the potential energy surface are explored. We found that the NaCl distances at the transitions states for the dissociation pathways were distributed in a relatively wide range of 2.7-3.7 Å and that the NaCl distance at the transition state did not correlate with the commonly used solvation coordinates. This suggests that the definition of the transition states with specific structures as well as good reaction coordinate is very difficult for the ionic dissociation process even in a small water cluster. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Excitation functions of heavy ion induced nuclear reactions between 16O ion beam and natural copper: Measurements, analysis and its applicability in TLA study

NASA Astrophysics Data System (ADS)

Chowdhury, D. P.; Guin, R.; Saha, S. K.; Sudersanan, M.

2003-11-01

Experimental cross sections of a number of reaction channels of 16O ion induced reactions on natural copper target have been determined at different energies in the range of 50-110 MeV of 16O projectile by stacked foil activation technique. The cross sections have been compared with theoretical calculations using the computer code ALICE-91. The experimental values compared reasonably well with the corresponding theoretical estimates. The results indicate no significant role of incomplete fusion process in the 16O induced reactions on natural copper in the energy range of ⩽7 MeV/nucleon. As heavy ion beam produces an extremely narrow layer of activities in the surface of a material, these reactions could be useful for thin layer activation (TLA) study. The purpose of this work is to apply heavy ion activation in TLA technique for the study of surface wear with increased sensitivity.

Developing Discontinuous Galerkin Methods for Solving Multiphysics Problems in General Relativity

NASA Astrophysics Data System (ADS)

Kidder, Lawrence; Field, Scott; Teukolsky, Saul; Foucart, Francois; SXS Collaboration

2016-03-01

Multi-messenger observations of the merger of black hole-neutron star and neutron star-neutron star binaries, and of supernova explosions will probe fundamental physics inaccessible to terrestrial experiments. Modeling these systems requires a relativistic treatment of hydrodynamics, including magnetic fields, as well as neutrino transport and nuclear reactions. The accuracy, efficiency, and robustness of current codes that treat all of these problems is not sufficient to keep up with the observational needs. We are building a new numerical code that uses the Discontinuous Galerkin method with a task-based parallelization strategy, a promising combination that will allow multiphysics applications to be treated both accurately and efficiently on petascale and exascale machines. The code will scale to more than 100,000 cores for efficient exploration of the parameter space of potential sources and allowed physics, and the high-fidelity predictions needed to realize the promise of multi-messenger astronomy. I will discuss the current status of the development of this new code.

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

DOE PAGES

Doebling, Scott William

2016-10-22

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

PubMed

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Cross-Cultural Differences in Children's Emotional Reactions to a Disappointing Situation

ERIC Educational Resources Information Center

Garrett-Peters, Patricia T.; Fox, Nathan A.

2007-01-01

Cross-cultural differences in emotional expressions following disappointment were examined in 59 Chinese American (CA) and 58 European American (EA) children. Children aged four or seven participated in a disappointing gift situation. Dimensions of expressive behaviors following disappointment were coded and included positive, negative, social…

N-formylation of amines via the aerobic oxidation of methanol over supported gold nanoparticles.

PubMed

Ishida, Tamao; Haruta, Masatake

2009-01-01

Dress code: formyl. Gold nanoparticles supported on NiO catalyze the one-pot N-formylation of amines with methanol and molecular oxygen to produce formamide at a selectivity of 90 %. This process generates methyl formate in situ, followed by reaction with amines.

A Trio of Human Molecular Genetics PCR Assays

ERIC Educational Resources Information Center

Reinking, Jeffrey L.; Waldo, Jennifer T.; Dinsmore, Jannett

2013-01-01

This laboratory exercise demonstrates three different analytical forms of the polymerase chain reaction (PCR) that allow students to genotype themselves at four different loci. Here, we present protocols to allow students to a) genotype a non-coding polymorphic Variable Number of Tandem Repeat (VNTR) locus on human chromosome 5 using conventional…

NUMERICAL TECHNIQUES TO SOLVE CONDENSATIONAL AND DISSOLUTIONAL GROWTH EQUATIONS WHEN GROWTH IS COUPLED TO REVERSIBLE REACTIONS (R823186)

EPA Science Inventory

Noniterative, unconditionally stable numerical techniques for solving condensational and
dissolutional growth equations are given. Growth solutions are compared to Gear-code solutions for
three cases when growth is coupled to reversible equilibrium chemistry. In all cases, ...

How Digital Native Learners Describe Themselves

ERIC Educational Resources Information Center

Thompson, Penny

2015-01-01

Eight university students from the "digital native" generation were interviewed about the connections they saw between technology use and learning, and also their reactions to the popular press claims about their generation. Themes that emerged from the interviews were coded to show patterns in how digital natives describe themselves.…

Critical evaluation of Jet-A spray combustion using propane chemical kinetics in gas turbine combustion simulated by KIVA-II

NASA Technical Reports Server (NTRS)

Nguyen, H. L.; Ying, S.-J.

1990-01-01

Numerical solutions of the Jet-A spray combustion were obtained by means of the KIVA-II computer code after Jet-A properties were added to the 12 chemical species the program had initially contained. Three different reaction mechanism models are considered. The first model consists of 131 reactions and 45 species; it is evaluated by comparing calculated ignition delay times with available shock tube data, and it is used in the evaluation of the other two simplified models. The simplified mechanisms consider 45 reactions and 27 species and 5 reactions and 12 species, respectively. In the prediction of pollutants NOx and CO, the full mechanism of 131 reactions is considered to be more reliable. The numerical results indicate that the variation of the maximum flame temperature is within 20 percent as compared with that of the full mechanism of 131 reactions. The chemical compositions of major components such as C3H8, H2O, O2, CO2, and N2 are of the same order of magnitude. However, the concentrations of pollutants are quite different.

Direct simulations of chemically reacting turbulent mixing layers

NASA Technical Reports Server (NTRS)

Riley, J. J.; Metcalfe, R. W.

1984-01-01

The report presents the results of direct numerical simulations of chemically reacting turbulent mixing layers. The work consists of two parts: (1) the development and testing of a spectral numerical computer code that treats the diffusion reaction equations; and (2) the simulation of a series of cases of chemical reactions occurring on mixing layers. The reaction considered is a binary, irreversible reaction with no heat release. The reacting species are nonpremixed. The results of the numerical tests indicate that the high accuracy of the spectral methods observed for rigid body rotation are also obtained when diffusion, reaction, and more complex flows are considered. In the simulations, the effects of vortex rollup and smaller scale turbulence on the overall reaction rates are investigated. The simulation results are found to be in approximate agreement with similarity theory. Comparisons of simulation results with certain modeling hypotheses indicate limitations in these hypotheses. The nondimensional product thickness computed from the simulations is compared with laboratory values and is found to be in reasonable agreement, especially since there are no adjustable constants in the method.

Virtual PCR

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

Gardner, S N; Clague, D S; Vandersall, J A

2006-02-23

The polymerase chain reaction (PCR) stands among the keystone technologies for analysis of biological sequence data. PCR is used to amplify DNA, to generate many copies from as little as a single template. This is essential, for example, in processing forensic DNA samples, pathogen detection in clinical or biothreat surveillance applications, and medical genotyping for diagnosis and treatment of disease. It is used in virtually every laboratory doing molecular, cellular, genetic, ecologic, forensic, or medical research. Despite its ubiquity, we lack the precise predictive capability that would enable detailed optimization of PCR reaction dynamics. In this LDRD, we proposed tomore » develop Virtual PCR (VPCR) software, a computational method to model the kinetic, thermodynamic, and biological processes of PCR reactions. Given a successful completion, these tools will allow us to predict both the sequences and concentrations of all species that are amplified during PCR. The ability to answer the following questions will allow us both to optimize the PCR process and interpret the PCR results: What products are amplified when sequence mixtures are present, containing multiple, closely related targets and multiplexed primers, which may hybridize with sequence mismatches? What are the effects of time, temperature, and DNA concentrations on the concentrations of products? A better understanding of these issues will improve the design and interpretation of PCR reactions. The status of the VPCR project after 1.5 years of funding is consistent with the goals of the overall project which was scoped for 3 years of funding. At half way through the projected timeline of the project we have an early beta version of the VPCR code. We have begun investigating means to improve the robustness of the code, performed preliminary experiments to test the code and begun drafting manuscripts for publication. Although an experimental protocol for testing the code was developed, the preliminary experiments were tainted by contaminated products received from the manufacturer. Much knowledge has been gained in the development of the code thus far, but without final debugging, increasing its robustness and verifying it against experimental results, the papers which we have drafted to share our findings still require the final data necessary for publication. The following sections summarize our final progress on VPCR as it stands after 1.5 years of effort on an ambitious project scoped for a 3 year period. We have additional details of the methods than are provided here, but would like to have legal protection in place before releasing them. The result of this project, a suite of programs that predict PCR products as a function of reaction conditions and sequences, will be used to address outstanding questions in pathogen detection and forensics at LLNL. VPCR should enable scientists to optimize PCR protocols in terms of time, temperature, ion concentration, and primer sequences and concentrations, and to estimate products and error rates in advance of performing experiments. Our proposed capabilities are well ahead of all currently available technologies, which do not model non-equilibrium kinetics, polymerase extension, or predict multiple or undesired PCR products. We are currently seeking DHS funding to complete the project, at which time licensing opportunities will be explored, an updated patent application will be prepared, and a publication will be submitted. A provisional and a full patent application have already been filed (1).« less

GAMSOR: Gamma Source Preparation and DIF3D Flux Solution

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

Smith, M. A.; Lee, C. H.; Hill, R. N.

2016-12-15

Nuclear reactors that rely upon the fission reaction have two modes of thermal energy deposition in the reactor system: neutron absorption and gamma absorption. The gamma rays are typically generated by neutron absorption reactions or during the fission process which means the primary driver of energy production is of course the neutron interaction. In conventional reactor physics methods, the gamma heating component is ignored such that the gamma absorption is forced to occur at the gamma emission site. For experimental reactor systems like EBR-II and FFTF, the placement of structural pins and assemblies internal to the core leads to problemsmore » with power heating predictions because there is no fission power source internal to the assembly to dictate a spatial distribution of the power. As part of the EBR-II support work in the 1980s, the GAMSOR code was developed to assist analysts in calculating the gamma heating. The GAMSOR code is a modified version of DIF3D and actually functions within a sequence of DIF3D calculations. The gamma flux in a conventional fission reactor system does not perturb the neutron flux and thus the gamma flux calculation can be cast as a fixed source problem given a solution to the steady state neutron flux equation. This leads to a sequence of DIF3D calculations, called the GAMSOR sequence, which involves solving the neutron flux, then the gamma flux, then combining the results to do a summary edit. In this manuscript, we go over the GAMSOR code and detail how it is put together and functions. We also discuss how to setup the GAMSOR sequence and input for each DIF3D calculation in the GAMSOR sequence. With the GAMSOR capability, users can take any valid steady state DIF3D calculation and compute the power distribution due to neutron and gamma heating. The MC2-3 code is the preferable companion code to use for generating neutron and gamma cross section data, but the GAMSOR code can accept cross section data from other sources. To further this aspect, an additional utility code was created which demonstrates how to merge the neutron and gamma cross section data together to carry out a simultaneous solve of the two systems.« less

Predicting CYP2C19 Catalytic Parameters for Enantioselective Oxidations Using Artificial Neural Networks and a Chirality Code

PubMed Central

Hartman, Jessica H.; Cothren, Steven D.; Park, Sun-Ha; Yun, Chul-Ho; Darsey, Jerry A.; Miller, Grover P.

2013-01-01

Cytochromes P450 (CYP for isoforms) play a central role in biological processes especially metabolism of chiral molecules; thus, development of computational methods to predict parameters for chiral reactions is important for advancing this field. In this study, we identified the most optimal artificial neural networks using conformation-independent chirality codes to predict CYP2C19 catalytic parameters for enantioselective reactions. Optimization of the neural networks required identifying the most suitable representation of structure among a diverse array of training substrates, normalizing distribution of the corresponding catalytic parameters (kcat, Km, and kcat/Km), and determining the best topology for networks to make predictions. Among different structural descriptors, the use of partial atomic charges according to the CHelpG scheme and inclusion of hydrogens yielded the most optimal artificial neural networks. Their training also required resolution of poorly distributed output catalytic parameters using a Box-Cox transformation. End point leave-one-out cross correlations of the best neural networks revealed that predictions for individual catalytic parameters (kcat and Km) were more consistent with experimental values than those for catalytic efficiency (kcat/Km). Lastly, neural networks predicted correctly enantioselectivity and comparable catalytic parameters measured in this study for previously uncharacterized CYP2C19 substrates, R- and S-propranolol. Taken together, these seminal computational studies for CYP2C19 are the first to predict all catalytic parameters for enantioselective reactions using artificial neural networks and thus provide a foundation for expanding the prediction of cytochrome P450 reactions to chiral drugs, pollutants, and other biologically active compounds. PMID:23673224

Two-dimensional Coupled Petrological-tectonic Modelling of Extensional Basins

NASA Astrophysics Data System (ADS)

Kaus, B. J. P.; Podladchikov, Y. Y.; Connolly, J. A. D.

Most numerical codes that simulate the deformation of a lithosphere assume the den- sity of the lithosphere to be either constant or depend only on temperature and pres- sure. It is, however, well known that rocks undergo phase transformations in response to changes in pressure and temperature. Such phase transformations may substantially alter the bulk properties of the rock (i.e., density, thermal conductivity, thermal ex- pansivity and elastic moduli). Several previous studies demonstrated that the density effects due to phase transitions are indeed large enough to have an impact on the litho- sphere dynamics. These studies were however oversimplified in that they accounted for only one or two schematic discontinuous phase transitions. The current study there- fore takes into account all the reactions that occur for a realistic lithospheric composi- tion. Calculation of the phase diagram and bulk physical properties of the stable phase assemblages for the crust and mantle within the continental lithosphere was done ac- counting for mineral solution behaviour using a free energy minimization program for natural rock compositions. The results of these calculations provide maps of the varia- tions in rock properties as a function of pressure and temperature that are easily incor- porated in any dynamic model computations. In this contribution we implemented a density map in the two-dimensional basin code TECMOD2D. We compare the results of the model with metamorphic reactions with a model without reactions and define some effective parameters that allow the use of a simpler model that still mimics most of the density effects of the metamorphic reactions.

Nuclear data uncertainty propagation by the XSUSA method in the HELIOS2 lattice code

NASA Astrophysics Data System (ADS)

Wemple, Charles; Zwermann, Winfried

2017-09-01

Uncertainty quantification has been extensively applied to nuclear criticality analyses for many years and has recently begun to be applied to depletion calculations. However, regulatory bodies worldwide are trending toward requiring such analyses for reactor fuel cycle calculations, which also requires uncertainty propagation for isotopics and nuclear reaction rates. XSUSA is a proven methodology for cross section uncertainty propagation based on random sampling of the nuclear data according to covariance data in multi-group representation; HELIOS2 is a lattice code widely used for commercial and research reactor fuel cycle calculations. This work describes a technique to automatically propagate the nuclear data uncertainties via the XSUSA approach through fuel lattice calculations in HELIOS2. Application of the XSUSA methodology in HELIOS2 presented some unusual challenges because of the highly-processed multi-group cross section data used in commercial lattice codes. Currently, uncertainties based on the SCALE 6.1 covariance data file are being used, but the implementation can be adapted to other covariance data in multi-group structure. Pin-cell and assembly depletion calculations, based on models described in the UAM-LWR Phase I and II benchmarks, are performed and uncertainties in multiplication factor, reaction rates, isotope concentrations, and delayed-neutron data are calculated. With this extension, it will be possible for HELIOS2 users to propagate nuclear data uncertainties directly from the microscopic cross sections to subsequent core simulations.

Light elements burning reaction rates at stellar temperatures as deduced by the Trojan Horse measurements

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

Lamia, L.; Spitaleri, C.; La Cognata, M.

2015-02-24

Experimental nuclear astrophysics aims at determining the reaction rates for astrophysically relevant reactions at their Gamow energies. For charged-particle induced reactions, the access to these energies is usually hindered, in direct measurements, by the presence of the Coulomb barrier between the interacting particles or by electron screening effects, which make hard the determination of the bare-nucleus S(E)-factor of interest for astrophysical codes. The use of the Trojan Horse Method (THM) appears as one of the most suitable tools for investigating nuclear processes of interest for astrophysics. Here, in view of the recent TH measurements, the main destruction channels for deuteriummore » ({sup 2}H), for the two lithium {sup 6,7}Li isotopes, for the {sup 9}Be and the one for the two boron {sup 10,11}B isotopes will be discussed.« less

The power induced effects module: A FORTRAN code which estimates lift increments due to power induced effects for V/STOL flight

NASA Technical Reports Server (NTRS)

Sandlin, Doral R.; Howard, Kipp E.

1991-01-01

A user friendly FORTRAN code that can be used for preliminary design of V/STOL aircraft is described. The program estimates lift increments, due to power induced effects, encountered by aircraft in V/STOL flight. These lift increments are calculated using empirical relations developed from wind tunnel tests and are due to suckdown, fountain, ground vortex, jet wake, and the reaction control system. The code can be used as a preliminary design tool along with NASA Ames' Aircraft Synthesis design code or as a stand-alone program for V/STOL aircraft designers. The Power Induced Effects (PIE) module was validated using experimental data and data computed from lift increment routines. Results are presented for many flat plate models along with the McDonnell Aircraft Company's MFVT (mixed flow vectored thrust) V/STOL preliminary design and a 15 percent scale model of the YAV-8B Harrier V/STOL aircraft. Trends and magnitudes of lift increments versus aircraft height above the ground were predicted well by the PIE module. The code also provided good predictions of the magnitudes of lift increments versus aircraft forward velocity. More experimental results are needed to determine how well the code predicts lift increments as they vary with jet deflection angle and angle of attack. The FORTRAN code is provided in the appendix.

Drug metabolism and hypersensitivity reactions to drugs.

PubMed

Agúndez, José A G; Mayorga, Cristobalina; García-Martin, Elena

2015-08-01

The aim of the present review was to discuss recent advances supporting a role of drug metabolism, and particularly of the generation of reactive metabolites, in hypersensitivity reactions to drugs. The development of novel mass-spectrometry procedures has allowed the identification of reactive metabolites from drugs known to be involved in hypersensitivity reactions, including amoxicillin and nonsteroidal antiinflammatory drugs such as aspirin, diclofenac or metamizole. Recent studies demonstrated that reactive metabolites may efficiently bind plasma proteins, thus suggesting that drug metabolites, rather than - or in addition to - parent drugs, may elicit an immune response. As drug metabolic profiles are often determined by variability in the genes coding for drug-metabolizing enzymes, it is conceivable that an altered drug metabolism may predispose to the generation of reactive drug metabolites and hence to hypersensitivity reactions. These findings support the potential for the use of pharmacogenomics tests in hypersensitivity (type B) adverse reactions, in addition to the well known utility of these tests in type A adverse reactions. Growing evidence supports a link between genetically determined drug metabolism, altered metabolic profiles, generation of highly reactive metabolites and haptenization. Additional research is required to developing robust biomarkers for drug-induced hypersensitivity reactions.

MT3D-USGS version 1: A U.S. Geological Survey release of MT3DMS updated with new and expanded transport capabilities for use with MODFLOW

USGS Publications Warehouse

Bedekar, Vivek; Morway, Eric D.; Langevin, Christian D.; Tonkin, Matthew J.

2016-09-30

MT3D-USGS, a U.S. Geological Survey updated release of the groundwater solute transport code MT3DMS, includes new transport modeling capabilities to accommodate flow terms calculated by MODFLOW packages that were previously unsupported by MT3DMS and to provide greater flexibility in the simulation of solute transport and reactive solute transport. Unsaturated-zone transport and transport within streams and lakes, including solute exchange with connected groundwater, are among the new capabilities included in the MT3D-USGS code. MT3D-USGS also includes the capability to route a solute through dry cells that may occur in the Newton-Raphson formulation of MODFLOW (that is, MODFLOW-NWT). New chemical reaction Package options include the ability to simulate inter-species reactions and parent-daughter chain reactions. A new pump-and-treat recirculation package enables the simulation of dynamic recirculation with or without treatment for combinations of wells that are represented in the flow model, mimicking the above-ground treatment of extracted water. A reformulation of the treatment of transient mass storage improves conservation of mass and yields solutions for better agreement with analytical benchmarks. Several additional features of MT3D-USGS are (1) the separate specification of the partitioning coefficient (Kd) within mobile and immobile domains; (2) the capability to assign prescribed concentrations to the top-most active layer; (3) the change in mass storage owing to the change in water volume now appears as its own budget item in the global mass balance summary; (4) the ability to ignore cross-dispersion terms; (5) the definition of Hydrocarbon Spill-Source Package (HSS) mass loading zones using regular and irregular polygons, in addition to the currently supported circular zones; and (6) the ability to specify an absolute minimum thickness rather than the default percent minimum thickness in dry-cell circumstances.Benchmark problems that implement the new features and packages test the accuracy of new code through comparison to analytical benchmarks, as well as to solutions from other published codes. The input file structure for MT3D-USGS adheres to MT3DMS conventions for backward compatibility: the new capabilities and packages described herein are readily invoked by adding three-letter package name acronyms to the name file or by setting input flags as needed. Memory is managed in MT3D-USGS using FORTRAN modules in order to simplify code development and expansion.

Nanoparticle based bio-bar code technology for trace analysis of aflatoxin B1 in Chinese herbs.

PubMed

Yu, Yu-Yan; Chen, Yuan-Yuan; Gao, Xuan; Liu, Yuan-Yuan; Zhang, Hong-Yan; Wang, Tong-Ying

2018-04-01

A novel and sensitive assay for aflatoxin B1 (AFB1) detection has been developed by using bio-bar code assay (BCA). The method that relies on polyclonal antibodies encoded with DNA modified gold nanoparticle (NP) and monoclonal antibodies modified magnetic microparticle (MMP), and subsequent detection of amplified target in the form of bio-bar code using a fluorescent quantitative polymerase chain reaction (FQ-PCR) detection method. First, NP probes encoded with DNA that was unique to AFB1, MMP probes with monoclonal antibodies that bind AFB1 specifically were prepared. Then, the MMP-AFB1-NP sandwich compounds were acquired, dehybridization of the oligonucleotides on the nanoparticle surface allows the determination of the presence of AFB1 by identifying the oligonucleotide sequence released from the NP through FQ-PCR detection. The bio-bar code techniques system for detecting AFB1 was established, and the sensitivity limit was about 10 -8  ng/mL, comparable ELISA assays for detecting the same target, it showed that we can detect AFB1 at low attomolar levels with the bio-bar-code amplification approach. This is also the first demonstration of a bio-bar code type assay for the detection of AFB1 in Chinese herbs. Copyright © 2017. Published by Elsevier B.V.

Radiological Protection and Nuclear Engineering Studies in Multi-MW Target Systems

NASA Astrophysics Data System (ADS)

Luis, Raul Fernandes

Several innovative projects involving nuclear technology have emerged around the world in recent years, for applications such as spallation neutron sources, accelerator-driven systems for the transmutation of nuclear waste and radioactive ion beam (RIB) production. While the available neutron Wuxes from nuclear reactors did not increase substantially in intensity over the past three decades, the intensities of neutron sources produced in spallation targets have increased steadily, and should continue to do so during the 21st century. Innovative projects like ESS, MYRRHA and EURISOL lie at the forefront of the ongoing pursuit for increasingly bright neutron sources; driven by proton beams with energies up to 2 GeV and intensities up to several mA, the construction of their proposed facilities involves complex Nuclear Technology and Radiological Protection design studies executed by multidisciplinary teams of scientists and engineers from diUerent branches of Science. The intense neutron Wuxes foreseen for those facilities can be used in several scientiVc research Velds, such as Nuclear Physics and Astrophysics, Medicine and Materials Science. In this work, the target systems of two facilitites for the production of RIBs using the Isotope Separation On-Line (ISOL) method were studied in detail: ISOLDE, operating at CERN since 1967, and EURISOL, the next-generation ISOL facility to be built in Europe. For the EURISOL multi-MW target station, a detailed study of Radiological Protection was carried out using the Monte Carlo code FLUKA. Simulations were done to assess neutron Wuences, Vssion rates, ambient dose equivalent rates during operation and after shutdown and the production of radioactive nuclei in the targets and surrounding materials. DiUerent materials were discussed for diUerent components of the target system, aiming at improving its neutronics performance while keeping the residual activities resulting from material activation as low as possible. The second goal of this work was to perform an optimisation study for the ISOLDE neutron converter and Vssion target system. The target system was simulated using FLUKA and the cross section codes TALYS and ABRABLA, with the objective of maximising the performance of the system for the production of pure beams of neutron-rich isotopes, suppressing the contaminations by undesired neutron-deficient isobars. Two alternative target systems were proposed in the optimisation studies; the simplest of the two, with some modiVcations, was built as a prototype and tested at ISOLDE. The experimental results clearly show that it is possible, with simple changes in the layouts of the target systems, to produce purer beams of neutron-rich isotopes around the doubly magic nuclei 78Ni and 132Sn. A study of Radiological Protection was also performed, comparing the performances of the prototype target system and the standard ISOLDE target system. None

rhoCentralRfFoam: An OpenFOAM solver for high speed chemically active flows - Simulation of planar detonations -

NASA Astrophysics Data System (ADS)

Gutiérrez Marcantoni, L. F.; Tamagno, J.; Elaskar, S.

2017-10-01

A new solver developed within the framework of OpenFOAM 2.3.0, called rhoCentralRfFoam which can be interpreted like an evolution of rhoCentralFoam, is presented. Its use, performing numerical simulations on initiation and propagation of planar detonation waves in combustible mixtures H2-Air and H2-O2-Ar, is described. Unsteady one dimensional (1D) Euler equations coupled with sources to take into account chemical activity, are numerically solved using the Kurganov, Noelle and Petrova second order scheme in a domain discretized with finite volumes. The computational code can work with any number of species and its corresponding reactions, but here it was tested with 13 chemically active species (one species inert), and 33 elementary reactions. A gaseous igniter which acts like a shock-tube driver, and powerful enough to generate a strong shock capable of triggering exothermic chemical reactions in fuel mixtures, is used to start planar detonations. The following main aspects of planar detonations are here, treated: induction time of combustible mixtures cited above and required mesh resolutions; convergence of overdriven detonations to Chapman-Jouguet states; detonation structure (ZND model); and the use of reflected shocks to determine induction times experimentally. The rhoCentralRfFoam code was verified comparing numerical results and it was validated, through analytical results and experimental data.

Program Helps To Determine Chemical-Reaction Mechanisms

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Radhakrishnan, K.

1995-01-01

General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code developed for use in solving complex, homogeneous, gas-phase, chemical-kinetics problems. Provides for efficient and accurate chemical-kinetics computations and provides for sensitivity analysis for variety of problems, including problems involving honisothermal conditions. Incorporates mathematical models for static system, steady one-dimensional inviscid flow, reaction behind incident shock wave (with boundary-layer correction), and perfectly stirred reactor. Computations of equilibrium properties performed for following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. Written in FORTRAN 77 with exception of NAMELIST extensions used for input.

Theoretical Predictions of Cross-Sections of the Super-Heavy Elements

NASA Astrophysics Data System (ADS)

Bouriquet, B.; Kosenko, G.; Abe, Y.

The evaluation of the residue cross-sections of reactionssynthesising superheavy elements has been achieved by the combination of the two-step model for fusion and the evaporation code (KEWPIE) for survival probability. The theoretical scheme of those calculations is presented, and some encouraging results are given, together with some difficulties. With this approach, the measured excitation functions of the 1n reactions producing elements with Z=108, 110, 111 and 112 are well reproduced. Thus, the model has been used to predict the cross-sections of the reactions leading to the formation of the elements with Z=113 and Z=114.

Code C# for chaos analysis of relativistic many-body systems with reactions

NASA Astrophysics Data System (ADS)

Grossu, I. V.; Besliu, C.; Jipa, Al.; Stan, E.; Esanu, T.; Felea, D.; Bordeianu, C. C.

2012-04-01

In this work we present a reaction module for “Chaos Many-Body Engine” (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the “Clusterization Map”, as a new intuitive analysis method of many-body systems. For exemplification, we implemented a numerical toy-model for nuclear relativistic collisions at 4.5 A GeV/c (the SKM200 Collaboration). An encouraging agreement with experimental data was obtained for momentum, energy, rapidity, and angular π distributions. Catalogue identifier: AEGH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 184 628 No. of bytes in distributed program, including test data, etc.: 7 905 425 Distribution format: tar.gz Programming language: Visual C#.NET 2005 Computer: PC Operating system: Net Framework 2.0 running on MS Windows Has the code been vectorized or parallelized?: Each many-body system is simulated on a separate execution thread. One processor used for each many-body system. RAM: 128 Megabytes Classification: 6.2, 6.5 Catalogue identifier of previous version: AEGH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1464 External routines: Net Framework 2.0 Library Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems with reactions. Object oriented solution, easy to reuse, extend and customize, in any development environment which accepts .Net assemblies or COM components. Treatment of two particles reactions and decays. For each particle, calculation of the time measured in the particle reference frame, according to the instantaneous velocity. Possibility to dynamically add particle properties (spin, isospin, etc.), and reactions/decays, using a specific XML input file. Basic support for Monte Carlo simulations. Implementation of: Lyapunov exponent, “fragmentation level”, “average system radius”, “virial coefficient”, “clusterization map”, and energy conservation precision test. As an example of use, we implemented a toy-model for nuclear relativistic collisions at 4.5 A GeV/c. Reasons for new version: Following our goal of applying chaos theory to nuclear relativistic collisions at 4.5 A GeV/c, we developed a reaction module integrated with the Chaos Many-Body Engine. In the previous version, inheriting the Particle class was the only possibility of implementing more particle properties (spin, isospin, and so on). In the new version, particle properties can be dynamically added using a dictionary object. The application was improved in order to calculate the time measured in the own reference frame of each particle. two particles reactions: a+b→c+d, decays: a→c+d, stimulated decays, more complicated schemas, implemented as various combinations of previous reactions. Following our goal of creating a flexible application, the reactions list, including the corresponding properties (cross sections, particles lifetime, etc.), could be supplied as parameter, using a specific XML configuration file. The simulation output files were modified for systems with reactions, assuring also the backward compatibility. We propose the “Clusterization Map” as a new investigation method of many-body systems. The multi-dimensional Lyapunov Exponent was adapted in order to be used for systems with variable structure. Basic support for Monte Carlo simulations was also added. Additional comments: Windows forms application for testing the engine. Easy copy/paste based deployment method. Running time: Quadratic complexity.

Prevalence of virulence genes in Escherichia coli strains isolated from Romanian adult urinary tract infection cases.

PubMed

Usein, C R; Damian, M; Tatu-Chitoiu, D; Capusa, C; Fagaras, R; Tudorache, D; Nica, M; Le Bouguénec, C

2001-01-01

A total of 78 E. coli strains isolated from adults with different types of urinary tract infections were screened by polymerase chain reaction for prevalence of genetic regions coding for virulence factors. The targeted genetic determinants were those coding for type 1 fimbriae (fimH), pili associated with pyelonephritis (pap), S and F1C fimbriae (sfa and foc), afimbrial adhesins (afa), hemolysin (hly), cytotoxic necrotizing factor (cnf), aerobactin (aer). Among the studied strains, the prevalence of genes coding for fimbrial adhesive systems was 86%, 36%, and 23% for fimH, pap, and sfa/foc,respectively. The operons coding for Afa afimbrial adhesins were identified in 14% of strains. The hly and cnf genes coding for toxins were amplified in 23% and 13% of strains, respectively. A prevalence of 54% was found for the aer gene. The various combinations of detected genes were designated as virulence patterns. The strains isolated from the hospitalized patients displayed a greater number of virulence genes and a diversity of gene associations compared to the strains isolated from the ambulatory subjects. A rapid assessment of the bacterial pathogenicity characteristics may contribute to a better medical approach of the patients with urinary tract infections.

Decoding DNA labels by melting curve analysis using real-time PCR.

PubMed

Balog, József A; Fehér, Liliána Z; Puskás, László G

2017-12-01

Synthetic DNA has been used as an authentication code for a diverse number of applications. However, existing decoding approaches are based on either DNA sequencing or the determination of DNA length variations. Here, we present a simple alternative protocol for labeling different objects using a small number of short DNA sequences that differ in their melting points. Code amplification and decoding can be done in two steps using quantitative PCR (qPCR). To obtain a DNA barcode with high complexity, we defined 8 template groups, each having 4 different DNA templates, yielding 158 (>2.5 billion) combinations of different individual melting temperature (Tm) values and corresponding ID codes. The reproducibility and specificity of the decoding was confirmed by using the most complex template mixture, which had 32 different products in 8 groups with different Tm values. The industrial applicability of our protocol was also demonstrated by labeling a drone with an oil-based paint containing a predefined DNA code, which was then successfully decoded. The method presented here consists of a simple code system based on a small number of synthetic DNA sequences and a cost-effective, rapid decoding protocol using a few qPCR reactions, enabling a wide range of authentication applications.

54Fe neutron elastic and inelastic scattering differential cross sections from 2-6 MeV

NASA Astrophysics Data System (ADS)

Vanhoy, J. R.; Liu, S. H.; Hicks, S. F.; Combs, B. M.; Crider, B. P.; French, A. J.; Garza, E. A.; Harrison, T.; Henderson, S. L.; Howard, T. J.; McEllistrem, M. T.; Nigam, S.; Pecha, R. L.; Peters, E. E.; Prados-Estévez, F. M.; Ramirez, A. P. D.; Rice, B. G.; Ross, T. J.; Santonil, Z. C.; Sidwell, L. C.; Steves, J. L.; Thompson, B. K.; Yates, S. W.

2018-04-01

Measurements of neutron elastic and inelastic scattering cross sections from 54Fe were performed for nine incident neutron energies between 2 and 6 MeV. Measured differential scattering cross sections are compared to those from previous measurements and the ENDF, JENDL, and JEFF data evaluations. TALYS calculations were performed and modifications of the default parameters are found to better describe the experimental cross sections. A spherical optical model treatment is generally adequate to describe the cross sections in this energy region; however, in 54Fe the direct coupling is found to increase suddenly above 4 MeV and requires an increase in the DWBA deformation parameter by approximately 25%. This has little effect on the elastic scattering differential cross sections but makes a significant improvement in both the strength and shape of the inelastic scattering angular distribution, which are found to be very sensitive to the size and extent of the surface absorption region.

Development of HA/Ag-NPs Composite Coating from Green Process for Hip Applications.

PubMed

Lozoya-Rodríguez, Denisse A; de Lima, Renata; Fraceto, Leonardo F; Ledezma Pérez, Antonio; Bazaldua Domínguez, Mercedes; Gómez Batres, Roberto; Reyes Rojas, Armando; Orozco Carmona, Víctor

2017-08-08

In the present study, biological hydroxyapatite (HA) was obtained from bovine bones through a thermal process. A total of 0% and 1% of silver nanoparticles (Ag-NPs) synthesized from Opuntia ficus (nopal) were added to the biological hydroxyapatite coatings using an atmospheric plasma spray (APS) on a Ti6Al4V substrate. Following this, its antimicrobial efficiency was evaluated against the following bacterial strains: Escherichia coli , Staphylococcus aureus , and Pseudomonas aeruginosa . This was conducted according to the Japanese Industrial Standard (JIS) Z2801:2000 "Antimicrobial Product-Test for Antimicrobial Activity and Efficacy". Scanning electron microscopy (SEM) showed that the silver nanoparticles (Ag-NPs) were evenly distributed on the coating surface. Energy dispersive X-ray spectroscopy (EDX) shows that apatite deposition occurs on a daily basis, maintaining a Ca/P rate between 2.12 and 1.45. Biocompatibility properties were evaluated with osteoblast-like cells (MC3T3-E1) by single-cell gel electrophoresis assay and Tali image cytometry.

Data Needs and Modeling of the Upper Atmosphere

NASA Astrophysics Data System (ADS)

Brunger, M. J.; Campbell, L.

2007-04-01

We present results from our enhanced statistical equilibrium and time-step codes for atmospheric modeling. In particular we use these results to illustrate the role of electron-driven processes in atmospheric phenomena and the sensitivity of the model results to data inputs such as integral cross sections, dissociative recombination rates and chemical reaction rates.

Turbulent Mixing Chemistry in Disks

NASA Astrophysics Data System (ADS)

Semenov, D.; Wiebe, D.

2006-11-01

A gas-grain chemical model with surface reaction and 1D/2D turbulent mixing is available for protoplanetary disks and molecular clouds. Current version is based on the updated UMIST'95 database with gas-grain interactions (accretion, desorption, photoevaporation, etc.) and modified rate equation approach to surface chemistry (see also abstract for the static chemistry code).

PubMed Central

Perreault, C

1981-01-01

Human leukocyte antigens (HLA) are transmembrane bicatenar glycoproteins; their heavy chain is coded by chromosome 6 and carries allotypic determinants. These molecules are present in nearly every cell, tissue and biologic fluid. Their congenital absence from fibroblasts is associated with progeria, while their absence from lymphocytes is associated with immunodeficiency. HLA antigens are usually studied microlymphocytotoxicity tests. The numerous cross-reactions encountered make the interpretation of results quite difficult. To clearly understand these reactions a complex-complex model is mandatory. The antigen, the HLA molecule, is complex since it carries many antigenic determinants; some of them are private ("subtypic"), while others are public ("subtypic"). Anti-HLA antibodies are also complex since they are heterogeneous, reacting with variable affinity with different antigenic determinants. The in vitro cross-reactions represent a partial explanation for varying cross-immunogenicity in vivo. PMID:7008927

Algebraic Turbulence-Chemistry Interaction Model

NASA Technical Reports Server (NTRS)

Norris, Andrew T.

2012-01-01

The results of a series of Perfectly Stirred Reactor (PSR) and Partially Stirred Reactor (PaSR) simulations are compared to each other over a wide range of operating conditions. It is found that the PaSR results can be simulated by a PSR solution with just an adjusted chemical reaction rate. A simple expression has been developed that gives the required change in reaction rate for a PSR solution to simulate the PaSR results. This expression is the basis of a simple turbulence-chemistry interaction model. The interaction model that has been developed is intended for use with simple one-step global reaction mechanisms and for steady-state flow simulations. Due to the simplicity of the model there is very little additional computational cost in adding it to existing CFD codes.

An improved and validated RNA HLA class I SBT approach for obtaining full length coding sequences.

PubMed

Gerritsen, K E H; Olieslagers, T I; Groeneweg, M; Voorter, C E M; Tilanus, M G J

2014-11-01

The functional relevance of human leukocyte antigen (HLA) class I allele polymorphism beyond exons 2 and 3 is difficult to address because more than 70% of the HLA class I alleles are defined by exons 2 and 3 sequences only. For routine application on clinical samples we improved and validated the HLA sequence-based typing (SBT) approach based on RNA templates, using either a single locus-specific or two overlapping group-specific polymerase chain reaction (PCR) amplifications, with three forward and three reverse sequencing reactions for full length sequencing. Locus-specific HLA typing with RNA SBT of a reference panel, representing the major antigen groups, showed identical results compared to DNA SBT typing. Alleles encountered with unknown exons in the IMGT/HLA database and three samples, two with Null and one with a Low expressed allele, have been addressed by the group-specific RNA SBT approach to obtain full length coding sequences. This RNA SBT approach has proven its value in our routine full length definition of alleles. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Inventory Uncertainty Quantification using TENDL Covariance Data in Fispact-II

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

Eastwood, J.W.; Morgan, J.G.; Sublet, J.-Ch., E-mail: jean-christophe.sublet@ccfe.ac.uk

2015-01-15

The new inventory code Fispact-II provides predictions of inventory, radiological quantities and their uncertainties using nuclear data covariance information. Central to the method is a novel fast pathways search algorithm using directed graphs. The pathways output provides (1) an aid to identifying important reactions, (2) fast estimates of uncertainties, (3) reduced models that retain important nuclides and reactions for use in the code's Monte Carlo sensitivity analysis module. Described are the methods that are being implemented for improving uncertainty predictions, quantification and propagation using the covariance data that the recent nuclear data libraries contain. In the TENDL library, above themore » upper energy of the resolved resonance range, a Monte Carlo method in which the covariance data come from uncertainties of the nuclear model calculations is used. The nuclear data files are read directly by FISPACT-II without any further intermediate processing. Variance and covariance data are processed and used by FISPACT-II to compute uncertainties in collapsed cross sections, and these are in turn used to predict uncertainties in inventories and all derived radiological data.« less

Numerical simulation of flow through the Langley parametric scramjet engine

NASA Technical Reports Server (NTRS)

Srinivasan, Shivakumar; Kamath, Pradeep S.; Mcclinton, Charles R.

1989-01-01

The numerical simulation of a three-dimensional turbulent, reacting flow through the entire Langley parametric scramjet engine has been obtained using a piecewise elliptic approach. The last section in the combustor has been analyzed using a parabolized Navier-Stokes code. The facility nozzle flow was analyzed as a first step. The outflow conditions from the nozzle were chosen as the inflow conditions of the scramjet inlet. The nozzle and the inlet simulation were accomplished by solving the three-dimensional Navier-Stokes equations with a perfect gas assumption. The inlet solution downstream of the scramjet throat was used to provide inflow conditions for the combustor region. The first two regions of the combustor were analyzed using the MacCormack's explicit scheme. However, the source terms in the species equations were solved implicitly. The finite rate chemistry was modeled using the two-step reaction model of Rogers and Chinitz. A complete reaction model was used in the PNS code to solve the last combustor region. The numerical solutions provide an insight of the flow details in a complete hydrogen-fueled scramjet engine module.

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the lee-tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, José B.; Silva, Cristóvão; Mendes, Ricardo; Plaksin, I.; Campos, Jose

2012-03-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitably performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE that fit the numerical to the experimental results. Mass averaging and the Plate-Gap Model have been used for the determination of the shock data used in the unreacted explosive JWL EoS assessment, and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a reasonable description of the experimental data.

Estimation of the Reactive Flow Model Parameters for an Ammonium Nitrate-Based Emulsion Explosive Using Genetic Algorithms

NASA Astrophysics Data System (ADS)

Ribeiro, J. B.; Silva, C.; Mendes, R.

2010-10-01

A real coded genetic algorithm methodology that has been developed for the estimation of the parameters of the reaction rate equation of the Lee-Tarver reactive flow model is described in detail. This methodology allows, in a single optimization procedure, using only one experimental result and, without the need of any starting solution, to seek the 15 parameters of the reaction rate equation that fit the numerical to the experimental results. Mass averaging and the plate-gap model have been used for the determination of the shock data used in the unreacted explosive JWL equation of state (EOS) assessment and the thermochemical code THOR retrieved the data used in the detonation products' JWL EOS assessments. The developed methodology was applied for the estimation of the referred parameters for an ammonium nitrate-based emulsion explosive using poly(methyl methacrylate) (PMMA)-embedded manganin gauge pressure-time data. The obtained parameters allow a reasonably good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

Extraction of High Quality DNA from Seized Moroccan Cannabis Resin (Hashish)

PubMed Central

El Alaoui, Moulay Abdelaziz; Melloul, Marouane; Alaoui Amine, Sanaâ; Stambouli, Hamid; El Bouri, Aziz; Soulaymani, Abdelmajid; El Fahime, Elmostafa

2013-01-01

The extraction and purification of nucleic acids is the first step in most molecular biology analysis techniques. The objective of this work is to obtain highly purified nucleic acids derived from Cannabis sativa resin seizure in order to conduct a DNA typing method for the individualization of cannabis resin samples. To obtain highly purified nucleic acids from cannabis resin (Hashish) free from contaminants that cause inhibition of PCR reaction, we have tested two protocols: the CTAB protocol of Wagner and a CTAB protocol described by Somma (2004) adapted for difficult matrix. We obtained high quality genomic DNA from 8 cannabis resin seizures using the adapted protocol. DNA extracted by the Wagner CTAB protocol failed to give polymerase chain reaction (PCR) amplification of tetrahydrocannabinolic acid (THCA) synthase coding gene. However, the extracted DNA by the second protocol permits amplification of THCA synthase coding gene using different sets of primers as assessed by PCR. We describe here for the first time the possibility of DNA extraction from (Hashish) resin derived from Cannabis sativa. This allows the use of DNA molecular tests under special forensic circumstances. PMID:24124454

Excitation functions of the natCr(p,x)44Ti, 56Fe(p,x)44Ti, natNi(p,x)44Ti and 93Nb(p,x)44Ti reactions at energies up to 2.6 GeV

NASA Astrophysics Data System (ADS)

Titarenko, Yu. E.; Batyaev, V. F.; Pavlov, K. V.; Titarenko, A. Yu.; Zhivun, V. M.; Chauzova, M. V.; Balyuk, S. A.; Bebenin, P. V.; Ignatyuk, A. V.; Mashnik, S. G.; Leray, S.; Boudard, A.; David, J. C.; Mancusi, D.; Cugnon, J.; Yariv, Y.; Nishihara, K.; Matsuda, N.; Kumawat, H.; Stankovskiy, A. Yu.

2016-06-01

The paper presents the measured cumulative yields of 44Ti for natCr, 56Fe, natNi and 93Nb samples irradiated by protons at the energy range 0.04-2.6 GeV. The obtained excitation functions are compared with calculations of the well-known codes: ISABEL, Bertini, INCL4.2+ABLA, INCL4.5+ABLA07, PHITS, CASCADE07 and CEM03.02. The predictive power of these codes regarding the studied nuclides is analyzed.

The role of viscosity in TATB hot spot ignition

NASA Astrophysics Data System (ADS)

Fried, Laurence E.; Zepeda-Ruis, Luis; Howard, W. Michael; Najjar, Fady; Reaugh, John E.

2012-03-01

The role of dissipative effects, such as viscosity, in the ignition of high explosive pores is investigated using a coupled chemical, thermal, and hydrodynamic model. Chemical reactions are tracked with the Cheetah thermochemical code coupled to the ALE3D hydrodynamic code. We perform molecular dynamics simulations to determine the viscosity of liquid TATB. We also analyze shock wave experiments to obtain an estimate for the shock viscosity of TATB. Using the lower bound liquid-like viscosities, we find that the pore collapse is hydrodynamic in nature. Using the upper bound viscosity from shock wave experiments, we find that the pore collapse is closest to the viscous limit.

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

Gul, Banat, E-mail: banatgul@gmail.com; Aman-ur-Rehman

In this study, a fluid model has been used to study the effect of gas mixing ratio and pressure on the density distribution of important etchant species, i.e., hydrogen (H), bromine (Br), Br{sup +}, and HBr{sup +} in HBr/He plasma. Our simulation results show that the densities of active etchant species H, Br, and HBr{sup +} increase with the increase in pressure as well as the HBr fraction in HBr/He mixture. On the contrary, the density of Br{sup +} decreases with the increase in He percentage in HBr/He mixture and with the increase in the pressure. Time averaged reaction ratesmore » (of the reactions involved in the production and consumption of these species) have been calculated to study the effect of these reactions on the density distribution of these species. The spatial distribution of these species is explained with the help of the time averaged reaction rates. Important reactions have been identified that contribute considerably to the production and consumption of these active species. The code has been optimized by identifying 26 reactions (out of 40 reactions which contribute in the production and consumption of these species) that have insignificant effect on the densities of H, Br, Br{sup +}, and HBr{sup +}. This shows that out of 40 reactions, only 14 reactions can be used to calculate the density and distribution of the important species in HBr/He plasma discharge.« less

Increasing insect reactions in Alaska: is this related to changing climate?

PubMed

Demain, Jeffrey G; Gessner, Bradford D; McLaughlin, Joseph B; Sikes, Derek S; Foote, J Timothy

2009-01-01

In 2006, Fairbanks, AK, reported its first cases of fatal anaphylaxis as a result of Hymenoptera stings concurrent with an increase in insect reactions observed throughout the state. This study was designed to determine whether Alaska medical visits for insect reactions have increased. We conducted a retrospective review of three independent patient databases in Alaska to identify trends of patients seeking medical care for adverse reactions after insect-related events. For each database, an insect reaction was defined as a claim for the International Classification of Diseases, Ninth Edition (ICD-9), codes E9053, E906.4, and 989.5. Increases in insect reactions in each region were compared with temperature changes in the same region. Each database revealed a statistically significant trend in patients seeking care for insect reactions. Fairbanks Memorial Hospital Emergency Department reported a fourfold increase in patients in 2006 compared with previous years (1992-2005). The Allergy, Asthma, and Immunology Center of Alaska reported a threefold increase in patients from 1999 to 2002 to 2003 to 2007. A retrospective review of the Alaska Medicaid database from 1999 to 2006 showed increases in medical claims for insect reactions among all regions, with the largest percentage of increases occurring in the most northern areas. Increases in insect reactions in Alaska have occurred after increases in annual and winter temperatures, and these findings may be causally related.

Extension of a Kinetic Approach to Chemical Reactions to Electronic Energy Levels and Reactions Involving Charged Species With Application to DSMC Simulations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.

2013-01-01

The ability to compute rarefied, ionized hypersonic flows is becoming more important as missions such as Earth reentry, landing high mass payloads on Mars, and the exploration of the outer planets and their satellites are being considered. Recently introduced molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties are extended in the current work to include electronic energy level transitions and reactions involving charged particles. These extensions are shown to agree favorably with reported transition and reaction rates from the literature for nearequilibrium conditions. Also, the extensions are applied to the second flight of the Project FIRE flight experiment at 1634 seconds with a Knudsen number of 0.001 at an altitude of 76.4 km. In order to accomplish this, NASA's direct simulation Monte Carlo code DAC was rewritten to include the ability to simulate charge-neutral ionized flows, take advantage of the recently introduced chemistry model, and to include the extensions presented in this work. The 1634 second data point was chosen for comparisons to be made in order to include a CFD solution. The Knudsen number at this point in time is such that the DSMC simulations are still tractable and the CFD computations are at the edge of what is considered valid because, although near-transitional, the flow is still considered to be continuum. It is shown that the inclusion of electronic energy levels in the DSMC simulation is necessary for flows of this nature and is required for comparison to the CFD solution. The flow field solutions are also post-processed by the nonequilibrium radiation code HARA to compute the radiative portion of the heating and is then compared to the total heating measured in flight.

Nonstationary porosity evolution in mixing zone in coastal carbonate aquifer using an alternative modeling approach.

PubMed

Laabidi, Ezzeddine; Bouhlila, Rachida

2015-07-01

In the last few decades, hydrogeochemical problems have benefited from the strong interest in numerical modeling. One of the most recognized hydrogeochemical problems is the dissolution of the calcite in the mixing zone below limestone coastal aquifer. In many works, this problem has been modeled using a coupling algorithm between a density-dependent flow model and a geochemical model. A related difficulty is that, because of the high nonlinearity of the coupled set of equations, high computational effort is needed. During calcite dissolution, an increase in permeability can be identified, which can induce an increase in the penetration of the seawater into the aquifer. The majority of the previous studies used a fully coupled reactive transport model in order to model such problem. Romanov and Dreybrodt (J Hydrol 329:661-673, 2006) have used an alternative approach to quantify the porosity evolution in mixing zone below coastal carbonate aquifer at steady state. This approach is based on the analytic solution presented by Phillips (1991) in his book Flow and Reactions in Permeable Rock, which shows that it is possible to decouple the complex set of equation. This equation is proportional to the square of the salinity gradient, which can be calculated using a density driven flow code and to the reaction rate that can be calculated using a geochemical code. In this work, this equation is used in nonstationary step-by-step regime. At each time step, the quantity of the dissolved calcite is quantified, the change of porosity is calculated, and the permeability is updated. The reaction rate, which is the second derivate of the calcium equilibrium concentration in the equation, is calculated using the PHREEQC code (Parkhurst and Apello 1999). This result is used in GEODENS (Bouhlila 1999; Bouhlila and Laabidi 2008) to calculate change of the porosity after calculating the salinity gradient. For the next time step, the same protocol is used but using the updated porosity and permeability distributions.

Development of a Model and Computer Code to Describe Solar Grade Silicon Production Processes

NASA Technical Reports Server (NTRS)

Srivastava, R.; Gould, R. K.

1979-01-01

The program aims at developing mathematical models and computer codes based on these models, which allow prediction of the product distribution in chemical reactors for converting gaseous silicon compounds to condensed-phase silicon. The major interest is in collecting silicon as a liquid on the reactor walls and other collection surfaces. Two reactor systems are of major interest, a SiCl4/Na reactor in which Si(l) is collected on the flow tube reactor walls and a reactor in which Si(l) droplets formed by the SiCl4/Na reaction are collected by a jet impingement method. During this quarter the following tasks were accomplished: (1) particle deposition routines were added to the boundary layer code; and (2) Si droplet sizes in SiCl4/Na reactors at temperatures below the dew point of Si are being calculated.