Calculation of ionization within the close-coupling formalism
A method for calculation of differential ionization cross sections from theories that use the close-coupling expansions for the total wave functions is presented. It is shown how from a single such calculation elastic, excitation, and ionization cross sections may be extracted using solely the T-matrix elements arising from solution of the coupled equations. To demonstrate the applicability of this formalism, the convergent close-coupling (CCC) theory is systematically applied at incident energies of 150-600 eV to the calculation of e-He ionization. Comparison with available measurements is generally very good. 50 refs., 17 figs
Convergent close-coupling calculations of electron-helium scattering
We present a review of the recent electron-helium calculations and experiments concentrating on the extensive application of the convergent close-coupling (CCC) method. Elastic, excitation, and ionization processes are considered, as well as excitation of the metastable states. The present status of agreement between theory and experiment for elastic and discrete excitations of the ground state is, in our view, quite satisfactory. However, discrepancies for excitation of the metastable states are substantial and invite urgent attention. Application of the CCC method to the calculation of differential ionization cross sections is encouraging, but also shows some fundamental difficulties. (authors). 92 refs., 15 figs
Convergent close-coupling calculations of electron-hydrogen scattering
The convergence of the close-coupling formalism is studied by expanding the target states in an orthogonal L2 Laguerre basis. The theory is without approximation and convergence is established by simply increasing the basis size. The convergent elastic, 2s, and 2p differential cross sections, spin asymmetries, and angular correlation parameters for the 2p excitation at 35, 54.4, and 100 eV are calculated. Integrated and total cross sections as well as T-matrix elements for the first five partial waves are also given. 30 refs., 3 tabs., 9 figs
Convergent close-coupling method for calculation of electron scattering on hydrogen-like targets
The Convergent Close-Coupling (CCC) method for the calculation of electron-hydrogen scattering was extended to hydrogen-like targets, atoms or ions. These include H, Li, Na, and K atoms, as well as the multitude of ions which have the same isoelectronic sequence as these atoms. The reliability of the method is independent of the projectile energy, and its applicability was demonstrated. It shows excellent agreement with a large set of measurements for electron scattering on sodium at projectile energies ranging from 1 to 54.4 eV. These measurements include spin asymmetries, singlet and triplet angular momentum (L) transferred to the atom perpendicular to the scattering plane, reduced Stokes parameters, differential, integrated, and total cross sections, as well as the total ionization spin asymmetry. The method is found to give better agreement with experiment than any other over this entire energy range. 61 refs., 2 tabs., 10 figs
Close-coupling R-matrix calculations for electron-ion recombination cross sections
Close-coupling (CC) calculations of electron-ion recombination cross sections using the R-matrix method are presented and benchmarked with available experimental measurements. The electron-ion recombination process, including resonant and non-resonant recombination may be unified as a natural extension of the coupled-channel approximation, as traditionally employed for photoionization and electron-ion scattering. Recombination cross sections can be calculated to the same accuracy by employing similar eigenfunction expansions for the target ion. Detailed results are obtained for electron recombination with C V, C VI, O VIII and Fe XXV. Several sets of theoretical calculations are reported and discussed: non-relativistic CC in LS coupling, relativistic CC in the Breit-Pauli approximation, with radiative attenuation and fine structure, and the relativistic distorted-wave approximation. The theoretical results are in very good agreement with highly accurate experimental measurements at the Heidelberg test storage ring for C V, C VI and O VIII, and the electron-ion beam trap at Livermore for Fe XXV. We discuss the overall effect of radiation damping of all resonances on effective cross sections and rates, important for H- and He-like ions. In addition to agreement with experimental data, the validity of the CC calculations is demonstrated by the continuity between the calculated photorecombination, dielectronic recombination and electron impact excitation cross sections. Certain issues related to the works of Badnell et al (1998 J. Phys. B: At. Mol. Opt. Phys. 31 L239) and Robicheaux (1998 J. Phys. B: At. Mol. Opt. Phys. 31 L109) are also addressed. (author)
Atomic-orbital close-coupling calculations of Be4+ + H(ls) → Be3+(nl) + H+
The atomic-orbital close-coupling (AOCC) method was used to calculate charge exchange cross sections relevant in nuclear fusion research. Here, we present calculations of fully stripped Be ions colliding with H(1s) in the energy range of 1 - 1000 keV/amu. We sketch how we determined an optimized description of this collisional system, compare with previous data and present derived emission cross sections which are used when evaluating data from charge exchange recombination spectroscopy (CXRS) in fusion experiments.
We report rigid-rotator close coupling calculations and quasiclassical trajectory calculations for HF--HF collisions with total angular momentum zero. The results are compared to test the trajectory method
Adjustment of Born-Oppenheimer electronic wave functions to simplify close coupling calculations.
Buenker, Robert J; Liebermann, Heinz-Peter; Zhang, Yu; Wu, Yong; Yan, Lingling; Liu, Chunhua; Qu, Yizhi; Wang, Jianguo
2013-04-30
Technical problems connected with use of the Born-Oppenheimer clamped-nuclei approximation to generate electronic wave functions, potential energy surfaces (PES), and associated properties are discussed. A computational procedure for adjusting the phases of the wave functions, as well as their order when potential crossings occur, is presented which is based on the calculation of overlaps between sets of molecular orbitals and configuration interaction eigenfunctions obtained at neighboring nuclear conformations. This approach has significant advantages for theoretical treatments describing atomic collisions and photo-dissociation processes by means of ab initio PES, electronic transition moments, and nonadiabatic radial and rotational coupling matrix elements. It ensures that the electronic wave functions are continuous over the entire range of nuclear conformations considered, thereby greatly simplifying the process of obtaining the above quantities from the results of single-point Born-Oppenheimer calculations. The overlap results are also used to define a diabatic transformation of the wave functions obtained for conical intersections that greatly simplifies the computation of off-diagonal matrix elements by eliminating the need for complex phase factors. PMID:23345171
Atomic-orbital close-coupling calculations of neon and argon ions colliding with H(1s) will be presented. The high principal quantum numbers n that need to be included in the expansion of the wavefunction of the active electron in the ion center make very large basis sets necessary. The resulting state resolved charge exchange and ionisation cross sections are of special interest for nuclear fusion research.
Zhong Hua SHI; Mao Chu GONG; Yao Qiang CHEN
2006-01-01
A catalyst comprised novel high surface area alumina support was prepared to control emission of automobiles. The results showed that prepared catalyst could satisfy the requirements of a high performance close coupled catalyst for its good catalytic activity at low temperature and good stability at high temperature.
Fernández-Menchero, L.; Giunta, A. S.; Del Zanna, G.; Badnell, N. R.
2016-04-01
We have carried out two intermediate coupling frame transformation (ICFT) R-matrix calculations for the electron-impact excitation of {{C}}-like {{Fe}}20+, both of which use the same expansions for their configuration interaction (CI) and close-coupling (CC) representations. The first expansion arises from the configurations 2{{{s}}}2 2{{{p}}}2,2{{s}} 2{{{p}}}3,2{{{p}}}4, \\{2{{{s}}}2 2{{p}},2{{s}} 2{{{p}}}2,2{{{p}}}3\\} {nl}, with n = 3, 4, for l=0-3, which give rise to 564 CI/CC levels. The second adds configurations 2{{{s}}}2 2{{p}} 5{{l}}, for l=0-2, which give rise to 590 CI/CC levels in total. Comparison of oscillator strengths and effective collision strengths from these two calculations demonstrates the lack of convergence in data for n = 4 from the smaller one. Comparison of results for the 564 CI/CC level calculation with an earlier ICFT R-matrix calculation which used the exact same CI expansion but truncated the CC expansion to only 200 levels demonstrates the lack of convergence of the earlier data, particularly for n = 3 levels. Also, we find that the results of our 590 CC R-matrix calculation are significantly and systematically larger than those of an earlier comparable DW-plus-resonances calculation. Thus, it is important still to take note of the (lack of) convergence in both atomic structural and collisional data, even in such a highly charged ion as Fe20+, and to treat resonances non-perturbatively. This is of particular importance for Fe ions given their importance in the spectroscopic diagnostic modelling of astrophysical plasmas.
A close-coupling calculation is performed for the photoionization cross section of the high-lying core-excited state 1s2s22p5 1Po of Ne2+ in the energy region of the double K-vacancy resonance 1s02s22p6 1S. The calculation is carried out by using the R-matrix method in the LS-coupling scheme, which includes 27 target states and extensive configuration interaction. The KK-KL x-ray energy, rate and autoionization width of the double K-vacancy state, together with KK-KLL Auger energies and branching ratios of the main channels, are obtained from the cross sections and the contributions of these channels. The calculated resonance energy and x-ray rate are in good agreement with the existing experimental and theoretical results. For the Auger width, our result agrees well with the available experimental result and it is very close to the average of other theoretical data, which shows considerable differences with each other. The Auger energy of the predominate channel KK-KL23L23 2D is in rather good agreement with recent experiments on the Auger spectra. Our branching ratios for the channels KK-KL23L23 2D and KK-KL23L23 2S are larger than the results obtained by the multi-configuration Dirac–Fock method by ∼20% on average, which may be due to the coupling of the continuum channels. (paper)
Thibault, F.; Mantz, A. W.; Claveau, C.; Valentin, A.; Hurtmans, D.
2007-01-01
We present measurements of He-broadening parameters for the R(0) and O(2) lines in the fundamental band of 13CO at different temperatures between 12K and room temperature. The broadening parameters are determined, taking into account confinement narrowing, by simultaneous least-squares fitting of spectra recorded using a frequency stabilized diode laser spectrometer. The pressure broadening cross sections are deduced and compared to close-coupling calculations and earlier results obtained for rotational transitions of 12 CO.
Onda, K.; Truhlar, D. G.
1978-01-01
A calculation has been made of the elastic scattering and rotational excitation cross sections for e(-)-N2 scattering at 30 and 50 eV using quantum chemical techniques specially designed to be applicable to elastic and inelastic electron scattering by general polyatomic molecules. The angle dependence of the sum of the elastic and rotational excitation differential cross sections is in good agreement with experiment at all scattering angles at both energies, but at 50 eV the difference from experiment exceeds the experimental uncertainty at small scattering angles and near the minimum of the differential cross section. At large scattering angles the rotational excitation cross sections are predicted to exceed the elastic scattering cross sections. The absolute cross sections agree with experiment at some angles but at other angles are as much as 51% (30 eV) or 90% (50 eV) higher; this may be due at least in part to the difficulty of putting the experimental results on an absolute scale.
Fernandez-Menchero, L; Del Zanna, G; Badnell, N R
2015-01-01
We have carried-out two intermediate coupling frame transformation (ICFT) R-matrix calculations for the electron-impact excitation of C-like Fe $^{20+}$, both of which use the same expansions for their configuration interaction (CI) and close-coupling (CC) representations. The first expansion arises from the configurations 2s$^2$ 2p$^2$, 2s 2p$^3$, 2p$^4$, {2s$^2$ 2p, 2s 2p$^2$, 2p$^3$} nl, with n=3,4, for l=0-3, which give rise to 564 CI/CC levels. The second adds configurations 2s$^2$ 2p 5l, for l=0-2, which give rise to 590 CI/CC levels in total. Comparison of oscillator strengths and effective collision strengths from these two calculations demonstrates the lack of convergence in data for n=4 from the smaller one. Comparison of results for the 564 CI/CC level calculation with an earlier ICFT R-matrix calculation which used the exact same CI expansion but truncated the CC expansion to only 200 levels demonstrates the lack of convergence of the earlier data, particularly for n=3 levels. Also, we find that t...
Close coupling wave packet theory of atom diatom scattering
In the space-fixed (SF) coordinate frame and body-fixed (BF) coordinate frame, the state to state transitional probabilities for the He-H2 system are calculated by using the recently developed close coupling wave packet method. The results show that the two theories formulated in the SF frame and BF frame are equivalent, and the calculated results of the two method coincide with that of close coupling method, and that the calculational efficiency in the SF frame is higher than that in the BF frame as the number of coupled terms increases
Why Closely Coupled Work Matters in Global Software Development
Jensen, Rasmus Eskild
2014-01-01
project members could better anticipate issues and act accordingly. The implications of these findings include a reconsideration of the significance of closely coupled work in distributed settings. Also our findings open up discussions of why closely coupled work matters in global software development.......We report on an ethnographic study of an offshore global software development project between Danish and Philippine developers in a Danish company called GlobalSoft. We investigate why the IT- developers chose to engage in more closely coupled work as the project progressed and argue that closely...... coupled work supported the collaboration in a very challenging project. Three key findings are presented: 1) Closely coupled work practices established connections across the collaboration ensuring knowledge exchange and improving coordination between project members, 2) Closely coupled work practices...
Solving close-coupling equations in momentum space without singularities III
Bray, A W; Kadyrov, A S; Fursa, D V; Bray, I
2016-01-01
The analytical treatment of the Greens function in the convergent close-coupling method [Bray et al. Comp. Phys. Comm. 203 147 (2016)] has been extended to charged targets. Furthermore, we show that this approach allows for calculation of cross sections at zero channel energy. For neutral targets this means the electron scattering length may be obtained from a single calculation with zero incident energy. For charged targets the non-zero excitation cross sections at thresholds can also be calculated by simply setting the incident energy to the exact threshold value. These features are demonstrated by considering electron scattering on H and He+.
Flowfield study of a close-coupled canard configuration
O'Leary, John F.
1992-01-01
A nulling five-hole pressure probe was used to complete a flowfield survey behind a close-coupled canard and wing model set a 32 degrees angle of attack. The canard and wing were both low-aspect-ratio, highly swept, delta platforms with rounded leading edges. The model was set at to condition of maximum life enhancement of the canard/wing configuration over a corresponding wing-alone configuration, based on previous force measurements. For comparison, the pressure measurements were made wi...
Fast computation of large-scale close-coupling systems on the example of N7+ − H collisions
We improve the symbolical and numerical performance of common implementations of the close-coupling method, which allows the treatment of more complex collision setups and increases the accuracy of the calculations. We illustrate this on the example of collisions between nitrogen ions and hydrogen.
Convergent Close-Coupling Approach to Electron-Atom Collisions
Bray, Igor; Stelbovics, Andris
2007-01-01
It was with great pleasure and honour to accept the invitation to make a presentation at the symposium celebrating the life-long work of Aaron Temkin and Richard Drachman. The work of Aaron Temkin was particularly influential on our own during the development of the CCC method for electron-atom collisions. There are a number of key problems that need to be dealt with when developing a general computational approach to such collisions. Traditionally, the electron energy range was subdivided into the low, intermediate, and high energies. At the low energies only a finite number of channels are open and variational or close-coupling techniques could be used to obtain accurate results. At high energies an infinite number of discrete channels and the target continuum are open, but perturbative techniques are able to yield accurate results. However, at the intermediate energies perturbative techniques fail and computational approaches need to be found for treating the infinite number of open channels. In addition, there are also problems associated with the identical nature of electrons and the difficulty of implementing the boundary conditions for ionization processes. The beauty of the Temkin-Poet model of electron-hydrogen scattering is that it simplifies the full computational problem by neglecting any non-zero orbital angular momenta in the partial-wave expansion, without loosing the complexity associated with the above-mentioned problems. The unique nature of the problem allowed for accurate solution leading to benchmark results which could then be used to test the much more general approaches to electron-atom collision problems. The immense value of the Temkin-Poet model is readily summarised by the fact that the initial papers of Temkin and Poet have been collectively cited around 250 times to date and are still being cited in present times. Many of the citations came from our own work during the course of the development of the CCC method, which we now describe.
Horner, D.A.; Colgan, J.; Martin, F.; McCurdy, C.W.; Pindzola, M.S.; Rescigno, T.N.
2004-06-01
Symmetrized complex amplitudes for the double photoionization of helium are computed by the time-dependent close-coupling and exterior complex scaling methods, and it is demonstrated that both methods are capable of the direct calculation of these amplitudes. The results are found to be in excellent agreement with each other and in very good agreement with results of other ab initio methods and experiment.
Close-Coupling R-Matrix Approach to Simulating Ion-Atom Collisions for Accelerator Applications
Stoltz, Peter
2005-01-01
We have implemented an R-matrix close coupling approach to calculate capture, ionization, stripping and excitation cross-sections for 0.5 to 8.0 MeV K+ incident on Ar. This is relevant to the High Current Experiment at Lawrence Berkley National Laboratory. These cross sections are used to model accelerator particle dynamics where background gasses can interfere with beam quality. This code is a semi-classical approach that uses quantum mechanics to describe the particle interactions and uses classical mechanics to describe the nuclei trajectories. We compare a hydrogenic approximation for K+ with a pseudo-potential approach. Further we are developing a variational approach to quickly determine the best pseudo-potential parameters. Since many R-Matrix computationalists use this pseudo-potential approach, this approach will be useful for helping generate cross sections for any collision system.
Demonstration of close-coupled barriers for subsurface containment of buried waste
The primary objective of this project is to develop and demonstrate a close-coupled barrier for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin inner lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. Close-coupled barrier technology is applicable for final, interim, or emergency containment of subsurface waste forms. Consequently, when considering the diversity of technology application, the construction emplacement and material technology maturity, general site operational requirements, and regulatory compliance incentives, the close-coupled barrier system provides an alternative for any hazardous or mixed waste remediation plan. This paper discusses the installation of a close-coupled barrier and the subsequent integrity verification
The fully relativistic implementation of the convergent close-coupling method
Bostock, Christopher James
2011-04-01
The calculation of accurate excitation and ionization cross sections for electron collisions with atoms and ions plays a fundamental role in atomic and molecular physics, laser physics, x-ray spectroscopy, plasma physics and chemistry. Within the veil of plasma physics lie important research areas affiliated with the lighting industry, nuclear fusion and astrophysics. For high energy projectiles or targets with a large atomic number it is presently understood that a scattering formalism based on the Dirac equation is required to incorporate relativistic effects. This tutorial outlines the development of the relativistic convergent close-coupling (RCCC) method and highlights the following three main accomplishments. (i) The inclusion of the Breit interaction, a relativistic correction to the Coulomb potential, in the RCCC method. This led to calculations that resolved a discrepancy between theory and experiment for the polarization of x-rays emitted by highly charged hydrogen-like ions excited by electron impact (Bostock et al 2009 Phys. Rev. A 80 052708). (ii) The extension of the RCCC method to accommodate two-electron and quasi-two-electron targets. The method was applied to electron scattering from mercury. Accurate plasma physics modelling of mercury-based fluorescent lamps requires detailed information on a large number of electron impact excitation cross sections involving transitions between various states (Bostock et al 2010 Phys. Rev. A 82 022713). (iii) The third accomplishment outlined in this tutorial is the restructuring of the RCCC computer code to utilize a hybrid OpenMP-MPI parallelization scheme which now enables the RCCC code to run on the latest high performance supercomputer architectures.
Demonstration of close-coupled barriers for subsurface containment of buried waste
The primary objective of this project is to develop and demonstrate a close-coupled barrier for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. Close-coupled barrier technology is applicable for final, interim, or emergency containment of subsurface waste forms. Consequently, when considering the diversity of technology application, the construction emplacement and material technology maturity, general site operational requirements, and regulatory compliance incentives, the close-coupled barrier system provides an alternative for any hazardous or mixed waste remediation plan. This paper will discuss the installation of a close-coupled barrier and the subsequent integrity verification. The demonstration will take place at a cold site at the Hanford Geotechnical Test Facility, 400 Area, Hanford, Washington
Demonstration of close-coupled barriers for subsurface containment of buried waste
A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin inner lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. Close-coupled barrier technology is applicable for final, interim, or emergency containment of subsurface waste forms. Consequently, when considering the diversity of technology application, the construction emplacement and material technology maturity, general site operational requirements, and regulatory compliance incentives, the close-coupled barrier system provides an alternative for any hazardous or mixed waste remediation plan. This paper discusses the installation of a close-coupled barrier and the subsequent integrity verification. The demonstration was installed at a benign site at the Hanford Geotechnical Test Facility, 400 Area, Hanford, Washington. The composite barrier was emplaced beneath a 7,500 liter tank. The tank was chosen to simulate a typical DOE Complex waste form. The stresses induced on the waste form were evaluated during barrier construction. The barrier was constructed using conventional jet grouting techniques. Drilling was completed at a 45 degree angle to the ground, forming a conical shaped barrier with the waste form inside the cone. Two overlapping rows of cylindrical cement columns were grouted in a honeycomb fashion to form the secondary backdrop barrier layer. The primary barrier, a high molecular weight polymer manufactured by 3M Company, was then installed providing a relatively thin inner liner for the secondary barrier. The primary barrier was emplaced by panel jet grouting with a dual wall drill stem, two phase jet grouting system
Full-dimensional close-coupling study of rovibrationally inelastic scattering of SiO- H2
Yang, B.; Wang, X.; Zhang, P.; Stancil, P. C.; Bowman, J. M.; Balakrishnan, N.; Forrey, R. C.
2016-05-01
Molecular collisional excitation rate coecients are required to interpret spectra of molecular gas not in local thermodynamic equilibrium. Silicon monoxide (SiO) has been detected in a variety of astronomical sources and is of astrophysical importance. Its rovibrational level populations are perturbed by collisions with He, H and H2. The corresponding collisional rate coefficients and their temperature dependence are largely unknown. Theoretical scattering calculations are the primary source of such rate coefficients. In this work a full-dimensional (6D) potential energy surface (PES) of SiO- H2 was calculated using the high-level CCSD(T)-F12B method and fitted using an invariant polynomial approach in 6D. We performed the first full dimensional quantum close-coupling scattering calculations for SiO in collision with H2 on the 6D PES. Pure state-to-state rotational excitation transitions from SiO(v1 = 0 , j1 = 0-10) are computed. For rovibrational transitions, state-to-state and total quenching cross sections and corresponding rate coefficients from several low-lying rotational levels in the first excited vibrational level of SiO are calculated for both para- H2 and ortho- H2 collisions. Work at UGA and Emory are supported by NASA Grant No. NNX12AF42G, at UNLV by NSF Grant No. PHY-1505557, and at Penn State by NSF Grant No. PHY-1503615.
Sýkora, Jaroslav; Kafka, Leoš; Daněk, Martin; Kohout, Lukáš
Oulu, Finsko: IEEE Computer Society Conference Publishing Services, 2011 - (Kitsos, P.), s. 525-532 ISBN 978-0-7695-4494-6. ISSN N. [14th Euromicro Conference on Digital System Design Architectures, Methods and Tools DSD 2011. Oulu (FI), 31.08.2011-02.09.2011] R&D Projects: GA MŠk 7E08013 Institutional research plan: CEZ:AV0Z10750506 Keywords : microthreading * SVP concurrency model * UTLEON3 processor Subject RIV: JC - Computer Hardware ; Software http://library.utia.cas.cz/separaty/2011/ZS/sykora-microthreading as a novel method for close coupling of custom hardware accelerators to svp processors.pdf
The convergent close-coupling method for a Coulomb three-body problem
The close-coupling method relies on the reformulation of the Schroedinger equation into an infinite set of coupled-channel equations by expanding over the complete set of target states. The difficulty in applying this approach is that the continuum channels are known to be very important in the intermediate-energy region and coupling to them must be included with little approximation. The application of the Convergent Close-Coupling (CCC) method is discussed which allows the continuum to be treated in a systematic manner via the use of square-integrable states. The CCC method utilizes an expansion of the target in a complete set of orthogonal L2 functions which form a basis for the underlying Hilbert space. The utility of the method relies on being able to demonstrate convergence in the scattering amplitudes of interest as the basis size is increased. Numerical examples for the well known Temkin-Poet problem are used to illustrate the method. It is estimated the methods may be readily applied to full electron-atom scattering problem. 17 refs., 4 figs
Development of a cement-polymer close-coupled subsurface barrier technology
The primary objective of this project was to further develop close-coupled barrier technology for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional cement grout curtain followed by a thin inner lining of a polymer grout. The resultant barrier is a cement polymer composite that has economic benefits derived from the cement and performance benefits from the durable and chemically resistant polymer layer. The technology has matured from a regulatory investigation of issues concerning barriers and barrier materials to a pilot-scale, multiple individual column injections at Sandia National Labs (SNL) to full scale demonstration. The feasibility of this barrier concept was successfully proven in a full scale ''cold site'' demonstration at Hanford, WA. Consequently, a full scale deployment of the technology was conducted at an actual environmental restoration site at Brookhaven National Lab (BNL), Long Island, NY. This paper discusses the installation and performance of a technology deployment implemented at OU-1 an Environmental Restoration Site located at BNL
The orientation parameter and the dipole moment of the n = 2 states of He+ resulting from electron capture in He2+ + H collisions are examined using the classical trajectory Monte Carlo (CTMC) method and the close-coupling expansion using two-centre atomic orbitals at 10, 25 and 50 keV amu-1. It is shown that the orientation parameters calculated from the two theories are in good agreement but large discrepancies exist for the dipole moments. Together with previous similar comparisons for p-H collisions, we conclude that the CTMC method is not reliable in predicting the coherence parameters of excited states formed in atomic collisions. (author)
Durability of three-way and close-coupled catalysts for Euro Ⅳ regulation
JIA Liwei; SHEN Meiqing; WANG Jun; WANG Jiaming; CHU Xia; GU Weiwei
2008-01-01
The durability of three-way catalyst (TWC) and corresponding close-coupled catalyst (CCC) for Euro Ⅳ stage regulation was in-vestigated through Vehicle Road Running Mode tests, whereas emissions of regulated pollutants of three car fleet were investigated at every 100,000 km miles. The results showed that HC, NOx, and CO emission values could meet Euro Ⅳ regulation limits at every point. The redox properties of TWC and CCC were measured by CO reduction during each isothermal. It was obvious that both aged TWC and aged CCC behaved a good redox property at 673 and 773 K. Based on XRD and BET measurement results, TWC and CCC washcoat were character-ized with good thermal stability.
Details are here provided of amendments to the atomic structure code CIV3 which allow the optional adjustment of Slater parameters and average energies of configurations so that they result in improved energy levels and eigenvectors. It is also indicated how, in principle, the resultant improved eigenvectors can be utilised by the R-matrix collision code, thus providing an optimised target for close coupling collision strength calculations. An analogous computational method was recently reported for distorted wave collision strength calculations and applied to Fe XIII. The general method is suitable for the computation of collision strengths for complex ions and in some cases can then provide a basis for collision strength calculations in ions where ab initio computations break down or result in unnecessarily large errors. (author)
A study of measurement and analysis of flow distribution in a close-coupled catalytic converter
Cho, Y.S.; Kim, D.S. [Kookmin University, Seoul (Korea); Joo, Y.C. [Soonchunhyang University, Asan (Korea)
2001-04-01
In this study, results from an experimental and numerical study of flow distribution in a close-coupled catalytic converter (CCC) are presented. The experiments were carried out using a flow measurement system. Flow distribution at the exit of the first monolith in the CCC was measured using a pitot tube under steady and transient flow conditions. Numerical analysis was done using a CF D code at the same test conditions, and the results were compared with the experimental results. Experimental results showed that the uniformity index of exhaust gas velocity decreases as Reynolds number increases. Under the steady flow conditions, flow through each exhaust pipe concentrates on a small region of the monolith. Under the transient flow conditions, flow through each exhaust pipe with the engine firing order interacts with each other to spread the flow over the monolith face. The numerical analysis results support the experimental results, and help explain the flow pattern in the entry region of the CCC. (author). 6 refs., 8 figs.
Zimmermann, Judith; Wentrup, Cecilia; Sadowski, Miriam; Blazejak, Anna; Gruber-Vodicka, Harald R; Kleiner, Manuel; Ott, Jörg A; Cronholm, Bodil; De Wit, Pierre; Erséus, Christer; Dubilier, Nicole
2016-07-01
The level of integration between associated partners can range from ectosymbioses to extracellular and intracellular endosymbioses, and this range has been assumed to reflect a continuum from less intimate to evolutionarily highly stable associations. In this study, we examined the specificity and evolutionary history of marine symbioses in a group of closely related sulphur-oxidizing bacteria, called Candidatus Thiosymbion, that have established ecto- and endosymbioses with two distantly related animal phyla, Nematoda and Annelida. Intriguingly, in the ectosymbiotic associations of stilbonematine nematodes, we observed a high degree of congruence between symbiont and host phylogenies, based on their ribosomal RNA (rRNA) genes. In contrast, for the endosymbioses of gutless phallodriline annelids (oligochaetes), we found only a weak congruence between symbiont and host phylogenies, based on analyses of symbiont 16S rRNA genes and six host genetic markers. The much higher degree of congruence between nematodes and their ectosymbionts compared to those of annelids and their endosymbionts was confirmed by cophylogenetic analyses. These revealed 15 significant codivergence events between stilbonematine nematodes and their ectosymbionts, but only one event between gutless phallodrilines and their endosymbionts. Phylogenetic analyses of 16S rRNA gene sequences from 50 Cand. Thiosymbion species revealed seven well-supported clades that contained both stilbonematine ectosymbionts and phallodriline endosymbionts. This closely coupled evolutionary history of marine ecto- and endosymbionts suggests that switches between symbiotic lifestyles and between the two host phyla occurred multiple times during the evolution of the Cand. Thiosymbion clade, and highlights the remarkable flexibility of these symbiotic bacteria. PMID:26826340
Advanced power systems featuring a closely coupled catalytic gasification carbonate fuel cell plant
Steinfeld, G.; Wilson, W.G.
1993-06-01
Pursuing the key national goal of clean and efficient uulization of the abundant domestic coal resources for power generation, a study was conducted with DOE/METC support to evaluate the potential of integrated gasification/carbonate fuel cell power generation systems. By closely coupling the fuel cell with the operation of a catalytic gasifier, the advantages of both the catalytic gasification and the high efficiency fuel cell complement each other, resulting in a power plant system with unsurpassed efficiencies approaching 55% (HHV). Low temperature catalytic gasification producing a high methane fuel gas offers the potential for high gas efficiencies by operating with minimal or no combustion. Heat required for gasification is provided by combination of recycle from the fuel cell and exothermic methanation and shift reactions. Air can be supplemented if required. In combination with internally reforming carbonate fuel cells, low temperature catalytic gasification can achieve very attractive system efficiencies while producing extremely low emissions compared to conventional plants utilizing coal. Three system configurations based on recoverable and disposable gasification catalysts were studied. Experimental tests were conducted to evaluate these gasification catalysts. The recoverable catalyst studied was potassium carbonate, and the disposable catalysts were calcium in the form of limestone and iron in the form of taconite. Reactivities of limestone and iron were lower than that of potassium, but were improved by using the catalyst in solution form. Promising results were obtained in the system evaluations as well as the experimental testing of the gasification catalysts. To realize the potential of these high efficiency power plant systems more effort is required to develop catalytic gasification systems and their integration with carbonate fuel cells.
Advanced power systems featuring a closely coupled catalytic gasification carbonate fuel cell plant
Steinfeld, G.; Wilson, W.G.
1993-01-01
Pursuing the key national goal of clean and efficient uulization of the abundant domestic coal resources for power generation, a study was conducted with DOE/METC support to evaluate the potential of integrated gasification/carbonate fuel cell power generation systems. By closely coupling the fuel cell with the operation of a catalytic gasifier, the advantages of both the catalytic gasification and the high efficiency fuel cell complement each other, resulting in a power plant system with unsurpassed efficiencies approaching 55% (HHV). Low temperature catalytic gasification producing a high methane fuel gas offers the potential for high gas efficiencies by operating with minimal or no combustion. Heat required for gasification is provided by combination of recycle from the fuel cell and exothermic methanation and shift reactions. Air can be supplemented if required. In combination with internally reforming carbonate fuel cells, low temperature catalytic gasification can achieve very attractive system efficiencies while producing extremely low emissions compared to conventional plants utilizing coal. Three system configurations based on recoverable and disposable gasification catalysts were studied. Experimental tests were conducted to evaluate these gasification catalysts. The recoverable catalyst studied was potassium carbonate, and the disposable catalysts were calcium in the form of limestone and iron in the form of taconite. Reactivities of limestone and iron were lower than that of potassium, but were improved by using the catalyst in solution form. Promising results were obtained in the system evaluations as well as the experimental testing of the gasification catalysts. To realize the potential of these high efficiency power plant systems more effort is required to develop catalytic gasification systems and their integration with carbonate fuel cells.
Choi, B. H.; Poe, R. T.
1977-01-01
A detailed vibrational-rotational (V-R) close-coupling formulation of electron-diatomic-molecule scattering is developed in which the target molecular axis is chosen to be the z-axis and the resulting coupled differential equation is solved in the moving body-fixed frame throughout the entire interaction region. The coupled differential equation and asymptotic boundary conditions in the body-fixed frame are given for each parity, and procedures are outlined for evaluating V-R transition cross sections on the basis of the body-fixed transition and reactance matrix elements. Conditions are discussed for obtaining identical results from the space-fixed and body-fixed formulations in the case where a finite truncated basis set is used. The hybrid theory of Chandra and Temkin (1976) is then reformulated, relevant expressions and formulas for the simultaneous V-R transitions of the hybrid theory are obtained in the same forms as those of the V-R close-coupling theory, and distorted-wave Born-approximation expressions for the cross sections of the hybrid theory are presented. A close-coupling approximation that conserves the internuclear axis component of the incident electronic angular momentum (l subscript z-prime) is derived from the V-R close-coupling formulation in the moving body-fixed frame.
Hayakawa, K K; Iwata, M M; Lytle, C F; Chrisco, R M; Greenough, C S; Walling, J A
1972-01-01
Measurement component technology ; vol 1, cryogenic pressure measurement technology, high pressure flange seals, hydrogen embrittlement of pressure transducer material, close coupled Vs. remote transducer installation ...
Advancements in Ti Alloy Powder Production by Close-Coupled Gas Atomization
Heidloff, Andy; Rieken, Joel; Anderson, Iver; Byrd, David
2011-04-01
As the technology for titanium metal injection molding (Ti-MIM) becomes more readily available, efficient Ti alloy fine powder production methods are required. An update on a novel close-coupled gas atomization system has been given. Unique features of the melting apparatus are shown to have measurable effects on the efficiency and ability to fully melt within the induction skull melting system (ISM). The means to initiate the melt flow were also found to be dependent on melt apparatus. Starting oxygen contents of atomization feedstock are suggested based on oxygen pick up during the atomization and MIM processes and compared to a new ASTM specification. Forming of titanium by metal injection molding (Ti-MIM) has been extensively studied with regards to binders, particle shape, and size distribution and suitable de-binding methods have been discovered. As a result, the visibility of Ti-MIM has steadily increased as reviews of technology, acceptability, and availability have been released. In addition, new ASTM specification ASTM F2885-11 for Ti-MIM for biomedical implants was released in early 2011. As the general acceptance of Ti-MIM as a viable fabrication route increases, demand for economical production of high quality Ti alloy powder for the preparation of Ti-MIM feedstock correspondingly increases. The production of spherical powders from the liquid state has required extensive pre-processing into different shapes thereby increasing costs. This has prompted examination of Ti-MIM with non-spherical particle shape. These particles are produced by the hydride/de-hydride process and are equi-axed but fragmented and angular which is less than ideal. Current prices for MIM quality titanium powder range from $40-$220/kg. While it is ideal for the MIM process to utilize spherical powders within the size range of 0.5-20 {mu}m, titanium's high affinity for oxygen to date has prohibited the use of this powder size range. In order to meet oxygen requirements the top
The primary objective of this project was to develop and demonstrate the installation and measure the performance of a close-coupled barrier for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional, low-cost, cement-grout containment barrier followed by a thin lining of a polymer grout. The resultant barrier is a cement-polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. The technology has matured from a regulatory investigation of the issues concerning the use of polymers to laboratory compatibility and performance measurements of various polymer systems to a pilot-scale, single column injection at Sandia to full-scale demonstration. The feasibility of the close-coupled barrier concept was proven in a full-scale cold demonstration at Hanford, Washington and then moved to the final stage with a full-scale demonstration at an actual remediation site at Brookhaven National Laboratory (BNL). At the Hanford demonstration the composite barrier was emplaced around and beneath a 20,000 liter tank. The secondary cement layer was constructed using conventional jet grouting techniques. Drilling was completed at a 45 degree angle to the ground, forming a cone-shaped barrier. The primary barrier was placed by panel jet-grouting with a dual-wall drill stem using a two part polymer grout. The polymer chosen was a high molecular weight acrylic. At the BNL demonstration a V-trough barrier was installed using a conventional cement grout for the secondary layer and an acrylic-gel polymer for the primary layer. Construction techniques were identical to the Hanford installation. This report summarizes the technology development from pilot- to full-scale demonstrations and presents some of the performance and quality achievements attained
Heiser, J.H. [Brookhaven National Lab., Upton, NY (United States). Environmental and Waste Technology Center; Dwyer, B. [Sandia National Lab., Albuquerque, NM (United States)
1997-09-01
The primary objective of this project was to develop and demonstrate the installation and measure the performance of a close-coupled barrier for the containment of subsurface waste or contaminant migration. A close-coupled barrier is produced by first installing a conventional, low-cost, cement-grout containment barrier followed by a thin lining of a polymer grout. The resultant barrier is a cement-polymer composite that has economic benefits derived from the cement and performance benefits from the durable and resistant polymer layer. The technology has matured from a regulatory investigation of the issues concerning the use of polymers to laboratory compatibility and performance measurements of various polymer systems to a pilot-scale, single column injection at Sandia to full-scale demonstration. The feasibility of the close-coupled barrier concept was proven in a full-scale cold demonstration at Hanford, Washington and then moved to the final stage with a full-scale demonstration at an actual remediation site at Brookhaven National Laboratory (BNL). At the Hanford demonstration the composite barrier was emplaced around and beneath a 20,000 liter tank. The secondary cement layer was constructed using conventional jet grouting techniques. Drilling was completed at a 45{degree} angle to the ground, forming a cone-shaped barrier. The primary barrier was placed by panel jet-grouting with a dual-wall drill stem using a two part polymer grout. The polymer chosen was a high molecular weight acrylic. At the BNL demonstration a V-trough barrier was installed using a conventional cement grout for the secondary layer and an acrylic-gel polymer for the primary layer. Construction techniques were identical to the Hanford installation. This report summarizes the technology development from pilot- to full-scale demonstrations and presents some of the performance and quality achievements attained.
Kadyrov, A S
2016-01-01
Much progress in the theory of positron scattering on atoms has been made in the ten years since the review of Surko, Gribakin and Buckman [J. Phys. B 38, R57 (2005)]. We review this progress for few-electron targets with a particular emphasis on the two-centre convergent close-coupling and other theories which explicitly treat positronium (Ps) formation. While substantial progress has been made for Ps formation in positron scattering on few-electron targets, considerable theoretical development is still required for multielectron atomic and molecular targets.
FDTD analysis of close-coupled 418 MHz radiating devices for human biotelemetry
This paper describes the finite-difference time-domain (FDTD) analysis of antenna-body interaction effects occurring when chest-mounted 418 MHz radio transmitters are used for medical telemetry applications. Whole-body software models (homogeneous, layered and tissue-segmented) were developed for an adult male subject. Using an electrically small (300 mm2) planar loop antenna, calculated radiation efficiencies ranged between 33.5% and 39.2% for a whole-body model, and between 60.7% and 66.1% for a torso; radiation patterns were found to be largely independent of model composition. The computed radiation efficiency for a 21.5 kg phantom representing a six-year-old female was within 1.1 dB of measured results (actual body mass 28 kg) and well-correlated azimuthal radiation patterns were noted. (author)
Kim, Duk Sang; Cho, Yong Seok [Kookmin Univ., Seoul (Korea, Republic of)
2004-11-01
Results from an experimental study of flow distribution in a Close-coupled Catalytic Converter (CCC) are presented. The experiments were carried out with a flow measurement system specially designed for this study under steady and transient flow conditions. A pitot tube was a tool for measuring flow distribution at the exit of the first monolith. The flow distribution of the CCC was also measured by LDV system and flow visualization. Results from numerical analysis are also presented. Experimental results showed that the flow uniformity index decreases as flow Reynolds number increases. In steady flow conditions, the flow through each exhaust pipe made some flow concentrations on a specific region of the CCC inlet. The transient test results showed that the flow through each exhaust pipe in the engine firing order, interacted with each other to ensure that the flow distribution was uniform. The results of numerical analysis were qualitatively accepted with experimental results. They supported and helped explain the flow in the entry region of CCC.
Carette, T; Argenti, L; Lindroth, E
2013-01-01
We present a robust, ab initio method for addressing atom-light interactions and apply it to photoionization of argon. We use a close-coupling ansatz constructed on a multi-configurational Hartree-Fock description of localized states and B-spline expansions of the electron radial wave functions. In this implementation, the general many-electron problem can be tackled thanks to the use of the ATSP2K libraries [CPC 176 (2007) 559]. In the present contribution, we combine this method with exterior complex scaling, thereby allowing for the computation of the complex partial amplitudes that encode the whole dynamics of the photoionization process. The method is validated on the 3s3p6np series of resonances converging to the 3s extraction. Then, it is used for computing the energy dependent differential atomic delay between 3p and 3s photoemission, and agreement is found with the measurements of Gu\\'enot et al. [PRA 85 (2012) 053424]. The effect of the presence of resonances in the one-photon spectrum on photoioniz...
PROBLEMS AND COSTS OF THE EUROPEAN UNION EXPANSION WITH OVER 27 STATES
Marina Zaharioaie; Ana-Maria Pascu
2010-01-01
Once on his way to enlargement, the European Union has taken a road of no return. History has shown that all candidate countries have become a point of EU Member States. The question thus is not where you go to the European Union enlargement, but how it will look after the enlargement of the Union politically, economically and socially. The objective of this paper is to analyze potential problems and costs of enlargement beyond the 27 states. Thus, we performed an analysis on the implications...
PROBLEMS AND COSTS OF THE EUROPEAN UNION EXPANSION WITH OVER 27 STATES
Marina Zaharioaie
2010-12-01
Full Text Available Once on his way to enlargement, the European Union has taken a road of no return. History has shown that all candidate countries have become a point of EU Member States. The question thus is not where you go to the European Union enlargement, but how it will look after the enlargement of the Union politically, economically and socially. The objective of this paper is to analyze potential problems and costs of enlargement beyond the 27 states. Thus, we performed an analysis on the implications of enlargement to the Balkans to Asia Minor and even to the former Soviet bloc countries.
Wilkosz, Benjamin Eduard
2015-01-01
In the work presented here, a detailed aerodynamic analysis of an aero engine centrifugal compressor is given. Steady and unsteady 3D-RANS simulations, as well as extensive experimental data have been used for the analysis. The compressor investigated contains a close-coupled pipe-diffuser. A radial-axial deswirler guides the air into the combustion chamber.The investigation presented gives a detailed insight in the loss mechanisms as well as their origin within the centrifugal compressor. In...
Calvo, L F; Gil, M V; Otero, M; Morán, A; García, A I
2012-04-01
The feasibility and operation performance of the gasification of rice straw in an atmospheric fluidized-bed gasifier was studied. The gasification was carried out between 700 and 850 °C. The stoichiometric air-fuel ratio (A/F) for rice straw was 4.28 and air supplied was 7-25% of that necessary for stoichiometric combustion. Mass and power balances, tar concentration, produced gas composition, gas phase ammonia, chloride and potassium concentrations, agglomeration tendencies and gas efficiencies were assessed. Agglomeration was avoided by replacing the normal alumina-silicate bed by a mixture of alumina-silicate sand and MgO. It was shown that it is possible to produce high quality syngas from the gasification of rice straw. Under the experimental conditions used, the higher heating value (HHV) of the produced gas reached 5.1 MJ Nm(-3), the hot gas efficiency 61% and the cold gas efficiency 52%. The obtained results prove that rice straw may be used as fuel for close-coupled boiler-gasifier systems. PMID:22297044
Bernacchi, C.; Kimball, B. A.; Quarles, D. R.; Long, S. P.; Ort, D. R.
2006-12-01
Stomatal responses to atmospheric change have been documented through a range of enclosure-based experiments. Increases in atmospheric concentration of CO2 ([CO2]) has been shown to decrease stomatal conductance (gs) for a many species under numerous conditions. Less well understood, however, is the extent to which leaf level responses translate to changes in ecosystem evapotranspiration, ET. Since many changes at the soil, plant and canopy microclimate level may feed back on ET, it is not certain that decrease in gs will decrease ET in rainfed crops. To examine the scaling of the effect of elevated [CO2] on gs at the leaf to ecosystem ET, soybean (Glycine max) was grown in field conditions under control (ca 375 μmol CO2 mol-1 air) and elevated [CO2] (ca. 550 μmol mol^{- 1}) using Free Air CO2 Enrichment (FACE). ET was measured from the time of canopy closure to crop senescence using a residual energy balance approach over four growing seasons. Elevated [CO2] caused ET to decrease between 9 and 16% depending on year and despite large increases in photosynthesis and seed yield. Although elevated [CO2] increased leaf area and canopy temperature (Tc), ET was closely coupled (0.78) to gs of the upper canopy leaves; this relationship was not altered by growth at elevated [CO2]. The findings are consistent with model and historical analyses which suggest that, despite system feedbacks, decreased gs at elevated [CO2] results in decreased transfer of water vapor to the atmosphere.
Gladden, R Matthew; Martinez, Pedro; Seth, Puja
2016-01-01
In March and October 2015, the Drug Enforcement Administration (DEA) and CDC, respectively, issued nationwide alerts identifying illicitly manufactured fentanyl (IMF) as a threat to public health and safety (1,2). IMF is unlawfully produced fentanyl, obtained through illicit drug markets, includes fentanyl analogs, and is commonly mixed with or sold as heroin (1,3,4). Starting in 2013, the production and distribution of IMF increased to unprecedented levels, fueled by increases in the global supply, processing, and distribution of fentanyl and fentanyl-precursor chemicals by criminal organizations (3). Fentanyl is a synthetic opioid 50-100 times more potent than morphine (2).* Multiple states have reported increases in fentanyl-involved overdose (poisoning) deaths (fentanyl deaths) (2). This report examined the number of drug products obtained by law enforcement that tested positive for fentanyl (fentanyl submissions) and synthetic opioid-involved deaths other than methadone (synthetic opioid deaths), which include fentanyl deaths and deaths involving other synthetic opioids (e.g., tramadol). Fentanyl deaths are not reported separately in national data. Analyses also were conducted on data from 27 states(†) with consistent death certificate reporting of the drugs involved in overdoses. Nationally, the number of fentanyl submissions and synthetic opioid deaths increased by 426% and 79%, respectively, during 2013-2014; among the 27 analyzed states, fentanyl submission increases were strongly correlated with increases in synthetic opioid deaths. Changes in fentanyl submissions and synthetic opioid deaths were not correlated with changes in fentanyl prescribing rates, and increases in fentanyl submissions and synthetic opioid deaths were primarily concentrated in eight states (high-burden states). Reports from six of the eight high-burden states indicated that fentanyl-involved overdose deaths were primarily driving increases in synthetic opioid deaths. Increases in
Clarke, Megan A.; Haire-Joshu, Debra L.; Schwarz, Cynthia D.; Tabak, Rachel G.; Joshu, Corinne E.
2015-01-01
Introduction The objective of this study was to determine whether perceptions of the home and school food environments are related to food and beverage intakes of postpartum teens. Methods Our study was a baseline, cross-sectional analysis of 853 postpartum teens enrolled in a weight-loss intervention study across 27 states from 2007 through 2009. Eight-item scales assessed perceived accessibility and availability of foods and beverages in school and home environments. Associations between en...
Calculation of electron-helium scattering
We present the Convergent Close-Coupling (CCC) theory for the calculation of electron-helium scattering. We demonstrate its applicability at a range of projectile energies of 1.5 to 500 eV to scattering from the ground state to n ≤3 states. Excellent agreement with experiment is obtained with the available differential, integrated, ionization, and total cross sections, as well as with the electron-impact coherence parameters up to and including the 33 D state excitation. Comparison with other theories demonstrates that the CCC theory is the only general reliable method for the calculation of electron helium scattering. (authors). 66 refs., 2 tabs., 24 figs
Calculation of electron-helium scattering
Fursa, D.V.; Bray, I.
1994-11-01
We present the Convergent Close-Coupling (CCC) theory for the calculation of electron-helium scattering. We demonstrate its applicability at a range of projectile energies of 1.5 to 500 eV to scattering from the ground state to n {<=}3 states. Excellent agreement with experiment is obtained with the available differential, integrated, ionization, and total cross sections, as well as with the electron-impact coherence parameters up to and including the 3{sup 3} D state excitation. Comparison with other theories demonstrates that the CCC theory is the only general reliable method for the calculation of electron helium scattering. (authors). 66 refs., 2 tabs., 24 figs.
We investigated how the pulse parameters of optical frequency combs affect the rotational excitation probability of the lithium chloride (7Li37Cl) molecule. Time evolution of the rotational population distribution was calculated by the close-coupling method. It was confirmed that the rotational excitation is restricted owing to the centrifugal distortion of the rotating molecule. (author)
Calculation of electron scattering on excited states of sodium
The results of electron-sodium scattering for the 3D → 3P transition at the projectile energy of 5 eV calculated using the Convergent Close Coupling method are presented. These include spin-resolved and spin-averaged alignment, orientation, and coherence parameters, as well as differential cross section and spin asymmetry. This calculation simultaneously produces results for the transitions 3P→3P at 6.52 eV and 3S → 3P at 8.62 eV. The three transitions are used to study the nature of the convergence in the close-coupling expansion. The results were found to be in good agreement with the existent experimental data. 15 refs., 9 figs
Hayakawa, K. K.; Udell, D. R.; Iwata, M. M.; Lytle, C. F.; Chrisco, R. M.; Greenough, C. S.; Walling, J. A.
1972-01-01
The results are presented of an investigation into the availability and performance capability of measurement components in the area of cryogenic temperature, pressure, flow and liquid detection components and high temperature strain gages. In addition, technical subjects allied to the components were researched and discussed. These selected areas of investigation were: (1) high pressure flange seals, (2) hydrogen embrittlement of pressure transducer diaphragms, (3) The effects of close-coupled versus remote transducer installation on pressure measurement, (4) temperature transducer configuration effects on measurements, and (5) techniques in temperature compensation of strain gage pressure transducers. The purpose of the program was to investigate the latest design and application techniques in measurement component technology and to document this information along with recommendations for upgrading measurement component designs for future S-2 derivative applications. Recommendations are provided for upgrading existing state-of-the-art in component design, where required, to satisfy performance requirements of S-2 derivative vehicles.
Closed-coupling planar printed monopole for mobile phone application%基于紧凑耦合的平面印刷单极子手机天线设计
胡海峰; 姜宇
2014-01-01
设计了一款基于紧凑耦合的平面单极子手机天线，该天线由尺寸相当、紧凑耦合的平面单极子和寄生枝节构成，天线采用曲流技术可以获得更小的尺寸，主体部分下方镂空且结构上的简单、紧凑，利于整机设计。平面单极子和寄生枝节的基频及高阶共振模共同作用，使天线产生950 MHz和2250 MHz两个谐振中心频率，覆盖了当今手机通信的GSM900／GSM1800／1900／UMTS以及LTE2300／2500等频段。%A mobile phone antenna using a closed -coupling planar printed monopole for covering multi-bands of WWAN operation was presented.This antenna was formed by a monopole slot and a parasitic strip closed-coupled with similar size.The antenna used me-ander to get a smaller size.The space below the principal part was hollowed out, and it had a simple and closed structure, which was convenient for integrated design.Two resonance center frequencies 950 MHz and 2 250 MHz were generated by the base frequency and the higher resonant mode of both the planar monopole and the parasitic strip, which covered the main frequency of communication for mobile, such as GSM900/GSM1800/1900/UMTS and LTE2300/2500.
Two closely coupled lasers, dynamics & applications
Clerkin, Eoin
2014-01-01
The dynamics of two mutually coupled identical single-mode semi-conductor lasers are theoretically investigated. For small separation and large coupling between the lasers, symmetry-broken one-colour states are shown to be stable. In this case the light output of the lasers have significantly different intensities whilst at the same time the lasers are locked to a single common frequency. For intermediate coupling we observe stable two-colour states, where both single-mode lasers lase simulta...
Hybrid theory and calculation of e-N2 scattering. [quantum mechanics - nuclei (nuclear physics)
Chandra, N.; Temkin, A.
1975-01-01
A theory of electron-molecule scattering was developed which was a synthesis of close coupling and adiabatic-nuclei theories. The theory is shown to be a close coupling theory with respect to vibrational degrees of freedom but is a adiabatic-nuclei theory with respect to rotation. It can be applied to any number of partial waves required, and the remaining ones can be calculated purely in one or the other approximation. A theoretical criterion based on fixed-nuclei calculations and not on experiment can be given as to which partial waves and energy domains require the various approximations. The theory allows all cross sections (i.e., pure rotational, vibrational, simultaneous vibration-rotation, differential and total) to be calculated. Explicit formulae for all the cross sections are presented.
Calculation of electron-impact excitation and ionization of atoms and ions
This paper reviews applications of the convergent close-coupling (CCC) method concentrating on spin-dependent electron-impact total ionization cross sections. The results for the electron-impact total ionization cross sections and the associated spin asymmetries of H, Li, O5+, Na and He(23S) are reviewed, with new calculations being presented for the K target. 47 refs., 7 figs
Calculation of triple differential cross sections in electron scattering on atomic hydrogen
Calculations of the triple differential cross sections for electrons scattering on the ground state of atomic hydrogen at incident energies of 54.4 and 150 eV is presented. The Convergent Close-Coupling (CCC) method is used. For this target the method is essentially without approximation. The total wave function was expanded in an ever increasing Laguerre basis until convergence has been obtained. A generally good agreement with experiment was found, but some quantitative discrepancies remain. 15 refs., 2 figs
Calculations of asymmetries in electron-alkali scattering
In this work it is shown that in order to calculate spin asymmetries at projectile energies above the ionization threshold, the target continuum needs to be taken into account. However, this does not imply that in the experiment, intermediate excitation into the continuum plays a major role. Rather, any theory, such as the standard close-coupling method, that does not allow for electron flux to be in all open channels is likely to have difficulty in reproducing the measured spin asymmetries. 30 refs., 2 figs
Calculations on the STAR conventional magnet design
A thin superconducting solenoid magnet was originally planned for the STAR detector, as described in the Conceptual Design Report. The electromagnetic calorimeter (EMC) was to be mounted outside the magnet coil and inside the magnet flux return in the form of iron bars. This design had relatively little coupling of the requirements for the magnet and the EMC. After the CDR was written, it was decided to use a conventional solenoidal magnet with copper or aluminum coils instead, primarily on the basis of construction costs. The large thickness of coil material was expected to seriously degrade the calorimeter performance, so the coil was moved outside the EMC. In the process, the magnet and EMC designs became much more closely coupled. This note documents a variety of calculations related to this coupling, as well as some of the reasons for certain design parameters of both the electromagnetic calorimeter and the conventional solenoidal magnet
New methods for the accurate quantum mechanical treatment of inelastic atom-molecule collisions and electron scattering are considered. The advantages of expanding the system wave function in adiabatic basis functions are emphasized. For a model collinear He-H2 system, the advantages of using vibrationally adiabatic basis functions in close coupling calculations of vibrationally elastic and inelastic transition probabilities are shown. For this system the detailed dynamics of multiquantum transitions is also considered, and the significance of various reactance matrix elements is probed. The close coupling method with conventional, l-dominant, and rotationally and orbitally adiabatic basis functions is applied to rotationally inelastic electron-molecule scattering in the laboratory frame. Electron-N2 scattering is treated in the rigid rotator approximation at total energy E = 30 eV and total angular momentum J = 5. The l-dominant bases afford a useful approximation, but dramatically more accurate results can be obtained with even smaller adiabatic bases. The accuracy and efficiency of close coupling calculations using conventional, l-dominant, adiabatic, and adiabatic l-dominant bases in rotationally inelastic atom-molecule scattering are compared. He-HF is treated in the rigid-rotator approximation at E = 0.05 and 0.017 eV for J = 4, 12, and 20. The effect of various reactance matrix elements on the partial cross sections is shown. S-, p-, and d-wave inelastic e-H scattering is treated in the 1s-2s close coupling approximation. The effects of electron exchange can be successfully approximated by replacing the nonlocal exchange potentials with approximate energy-dependent local potentials
Calculation of electron-impace excitation and ionization of atoms
Over the last few years it has been the author's goal to develop a open-quotes completeclose quotes electron-atom scattering theory. For a given projectile energy such a theory would be able to correctly predict the major scattering processes. These include elastic, excitation, and ionization cross sections. The convergent close-coupling (CCC) approach is a candidate for such a theory. Hamiltonians in an orthogonal Laguerre basis. The usage of this basis ensures that open-quotes completenessclose quotes is approached as N is increased. The CCC method may be thought of as a more systematic implementation of pseudostate methods. Whereas the success of the close-coupling approach to the calculation of excitation cross sections has been demonstrated for many decades it has rarely been applied to the calculation of ionization processes. By demonstrating the ability to obtain accurate ionization cross sections simultaneously with excitation processes the CCC method appears to have fulfilled these goals. In the talk a general outline of the CCC method will be given and its recent applications to the measurements of electron-impact ionization and excitation of the ground state of helium discussed
SRD 166 MEMS Calculator (Web, free access) This MEMS Calculator determines the following thin film properties from data taken with an optical interferometer or comparable instrument: a) residual strain from fixed-fixed beams, b) strain gradient from cantilevers, c) step heights or thicknesses from step-height test structures, and d) in-plane lengths or deflections. Then, residual stress and stress gradient calculations can be made after an optical vibrometer or comparable instrument is used to obtain Young's modulus from resonating cantilevers or fixed-fixed beams. In addition, wafer bond strength is determined from micro-chevron test structures using a material test machine.
Petersen, Kurt Erling
1986-01-01
probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis...... of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested....
Beguería, Santiago; Vicente Serrano, Sergio M.
2009-01-01
[EN] *Objectives: The program calculates time series of the Standardised Precipitation-Evapotransporation Index (SPEI). *Technical Characteristics: The program is executed from the Windows console. From an input data file containing monthly time series of precipitation and mean temperature, plus the geographic coordinates of the observatory, the program computes the SPEI accumulated at the time interval specified by the user, and generates a new data file with the SPEI time serie...
Reviewed is the effect of heat flux of different system parameters on critical density in order to give an initial view on the value of several parameters. A thorough analysis of different equations is carried out to calculate burnout is steam-water flows in uniformly heated tubes, annular, and rectangular channels and rod bundles. Effect of heat flux density distribution and flux twisting on burnout and storage determination according to burnout are commended
McCarty, George
1982-01-01
How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...
Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)
Failures probability calculation of the energy supply of the Angra-1 reactor rods assembly
This work analyses the electric power system of the Angra I PWR plant. It is demonstrated that this system is closely coupled with the safety engineering features, which are the equipments provided to prevent, limit, or mitigate the release of radioactive material and to permit the safe reactor shutdown. Event trees are used to analyse the operation of those systems which can lead to the release of radioactivity following a specified initial event. The fault trees technique is used to calculate the failure probability of the on-site electric power system
HTR-2000: Computer program to accompany calculations during reactor operation of HTGR's
HTR-2000 - developed for arithmetical control of pebble bed high temperature reactors with multiple process - is closely coupled to the actual operation of the reactor. Using measured nuclear and thermo-hydraulical parameters as well as detailed model of pebble flow and exact information and fuel burnup, loading and discharge it obtains an excellent simulation of the status of the reactor. The geometry is modelled in three dimensions, so asymmetries in core texture can be taken into account for nuclear and thermohydraulical calculations. A continuous simulation was performed during five years of AVR operation. The comparison between calculated and measured data was very satisfying. In addition, experiments which had been performed at AVR for re-calculating the control rod worth were simulated. The arithmetical analysis shows that at presence of a compensating-absorber in the reactor core the split reactivity worth for single absorbers can be determined by calculation but not by methods of measuring. (orig.)
The temperature dependence of effective Waldmann--Snider cross sections determining relaxation and line broadening phenomena has been studied for p-H2 between 20 and 200 K. In particular, the rotational relaxation cross section and the relaxation cross sections of the rotational angular momentum vector and tensor polarizations and their respective fluxes have been calculated in an entirely ab initio treatment and close coupling formalism. As far as experimental results were available, quantitative agreement has been obtained. The rotational relaxation cross section has been proven to be quite sensitive to the potential anisotropy. Furthermore, the validity of some approximate relations between effective cross sections has been tested
On-Site was developed to provide modelers and model reviewers with prepackaged tools ("calculators") for performing site assessment calculations. The philosophy behind OnSite is that the convenience of the prepackaged calculators helps provide consistency for simple calculations,...
Photoionization cross section calculations for the halogen-like ions Kr$^+$ and Xe$^+$
McLaughlin, B M
2012-01-01
Photoionization cross sections calculations on the halogen-like ions; Kr$^+$ and Xe$^+$ have been performed for a photon energy range from each ion threshold to 15 eV, using large-scale close-coupling calculations within the Dirac-Coulomb R-matrix approximation. The results from our theoretical work are compared with recent measurements made at the ASTRID merged-beam set-up at the University of Aarhus in Denmark and from the Fourier transform ion cyclotron resonance (FT-ICR) trap method at the SOLEIL synchrotron radiation facility in Saint-Aubin, France and the Advanced Light Soure (ALS). For each of these complex ions our theoretical cross section results over the photon energy range investigated are seen to be in excellent agreement with experiment. Resonance energy positions and quantum defects of the prominent Rydberg resonances series identified in the spectra are compared with experiment for these complex halogen like-ions.
R Fathi
2013-09-01
Full Text Available In this work, total excitation cross section of atomic hydrogen in the collision of bare ion was calculated employing a three body Faddeev formalism. In the present calculation, initially the first order electronic amplitude was calculated using the interaction potential which led to inelastic form factor. Secondly, the first order nuclear amplitude was calculated and added to the first order electronic amplitude. This second term was calculated employing the near-the-shell two body transition operator. The interaction energy was assumed to be in the intermediate and high energy limits . Finally, the results were compared with the relevant cross sections calculated under monocentric close-coupling data in the literature.
Sarkadi, L
2015-01-01
The three-body dynamics of the ionization of the atomic hydrogen by 30 keV antiproton impact has been investigated by calculation of fully differential cross sections (FDCS) using the classical trajectory Monte Carlo (CTMC) method. The results of the calculations are compared with the predictions of quantum mechanical descriptions: The semi-classical time-dependent close-coupling theory, the fully quantal, time-independent close-coupling theory, and the continuum-distorted-wave-eikonal-initial-state model. In the analysis particular emphasis was put on the role of the nucleus-nucleus (NN) interaction played in the ionization process. For low-energy electron ejection CTMC predicts a large NN interaction effect on FDCS, in agreement with the quantum mechanical descriptions. By examining individual particle trajectories it was found that the relative motion between the electron and the nuclei is coupled very weakly with that between the nuclei, consequently the two motions can be treated independently. A simple ...
WU Yong; YAN Bing; LIU Ling; WANG Jian-Guo
2007-01-01
The single charge transfer process in 3 He2+ + 4He collisions is investigated using the quantum-mechanical molecularorbital close-coupling method, in which the adiabatic potentials and radial couplings are calculated by using the ab initio multireference single- and double-excitation configuration interaction methods. The differential cross sections for the single charge transfer are presented at the laboratorial energies E = 6kev and 10keV for the projectile 3He2+. Comparison with the existing data shows that the present results are better in agreement with the experimental measurements than other calculations in the dominant small angle scattering, which is attributed to the accurate calculations of the adiabatic potentials and the radial couplings.
Ballance, Connor
2013-05-01
Over the last couple of decades, a number of advanced non-perturbative approaches such as the R-matrix, TDCC and CCC methods have made great strides in terms of improved target representation and investigating fundamental 2-4 electron problems. However, for the electron-impact excitation of near-neutral species or complicated open-shell atomic systems we are forced to make certain compromises in terms of the atomic structure and/or the number of channels included in close-coupling expansion of the subsequent scattering calculation. The availability of modern supercomputing architectures with hundreds of thousands of cores, and the emergence new opportunities through GPU usauge offers one possibility to address some of these issues. To effectively harness this computational power will require significant revision of the existing code structures. I shall discuss some effective strategies within a non-relativistic and relativistic R-matrix framework using the examples detailed below. The goal is to extend existing R-matrix methods from 1-2 thousand close coupled channels to 10,000 channels. With the construction of the ITER experiment in Cadarache, which will have Tungsten plasma-facing components, there is an urgent diagnostic need for the collisional rates for the near-neutral ion stages. In particular, spectroscopic diagnostics of impurity influx require accurate electron-impact excitation and ionisation as well as a good target representation. There have been only a few non-perturbative collisional calculations for this system, and the open-f shell ion stages provide a daunting challenge even for perturbative approaches. I shall present non-perturbative results for for the excitation and ionisation of W3+ and illustrate how these fundamental calculations can be integrated into a meaningful diagnostic for the ITER device. We acknowledge support from DoE fusion.
Distillation Calculations with a Programmable Calculator.
Walker, Charles A.; Halpern, Bret L.
1983-01-01
Describes a three-step approach for teaching multicomponent distillation to undergraduates, emphasizing patterns of distribution as an aid to understanding the separation processes. Indicates that the second step can be carried out by programmable calculators. (A more complete set of programs for additional calculations is available from the…
Shen Guang-Xian; Linghu Rong-Feng; Wang Rong-Kai; Yang Xiang-Dong
2007-01-01
In this paper, close-coupling method was applied to the He-H2(D2,T2) system, and the first vibrational excitation differences of these partial wave cross sections, this paper have obtained the change rules of the partial wave cross sections with increases of quantum number, and with change of reduced mass of system. Based on the calculation,influence on the partial wave cross sections brought by the variations in the reduced mass of systems and in the relative kinetic energy of incident atoms is discussed.
Autistic Savant Calendar Calculators.
Patti, Paul J.
This study identified 10 savants with developmental disabilities and an exceptional ability to calculate calendar dates. These "calendar calculators" were asked to demonstrate their abilities, and their strategies were analyzed. The study found that the ability to calculate dates into the past or future varied widely among these calculators. Three…
Full two-electron calculations of antiproton collisions with molecular hydrogen
Lühr, Armin Christian; Saenz, Alejandro
2010-01-01
Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energies from 1 keV to 6.5 MeV. A nonperturbative time-dependent close-coupling method is applied to fully treat the correlated dynamics of the electrons...... is demonstrated. The present findings provide benchmark results which might be useful for the development of molecular models........ Good agreement is obtained between the present calculations and experimental measurements of single-ionization cross sections at high energies, whereas some discrepancies with the experiment are found around the maximum. The importance of the molecular geometry and a full two-electron description...
Theoretical calculation of photoionization cross sections of B-like ions: N2+,O3+ and F4+
Wang Guo-Li; Zhou Xiao-Xin
2009-01-01
There can be found some notable discrepancies with regard to the resonance structures when R-matrix calculations from the Opacity Project and other sources are compared with recent absolute experimental measurements of Bizau et al [Astron. Astrophts. 439 387 (2005)] for B-like ions N2+,03+ and F4+. We performed close-coupling calculatious based on the R-matrix formalism for the photoionizations of ions mentioned above both for the ground states and first excited states in the near threshold regions. The present results are compared with experimental ones given by Bizau et al and earlier theoretical ones. Excellent agreement is obtained between our theoretical results and the experimental photoionization cross sections. The present calculations show a significant improvement over the previous theoretical results.
The semiclassical model RB (Robert, D. and Bonamy, J. (Journal de Physique (Paris), 1979, 40, 923 for calculation of line width and line shift has been used in many applications. It contains an approximate 'parabolic' trajectory. Bykov, A.D. et al, Atmospheric and Oceanic Optics (1992) 5, 587, have recently proposed an analytical expression for an exact treatment of the classical path. This paper analyses the consequence of introducing the exact trajectory within the RB model for the H2-He Q(1) line chosen as a simple test. Moreover, a comparison with results of exact close-coupling calculations is also given for this molecular system. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
Consolidated fuel shielding calculations
Irradiated fuel radiation dose rate and radiation shielding requirements are calculated using a validated ISOSHLD-II model. Comparisons are made to experimental measurements. ISOSHLD-11 calculations are documented
Personal Finance Calculations.
Argo, Mark
1982-01-01
Contains explanations and examples of mathematical calculations for a secondary level course on personal finance. How to calculate total monetary cost of an item, monthly payments, different types of interest, annual percentage rates, and unit pricing is explained. (RM)
Heterogeneous Calculation of ε
A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer
Calculating Clearances for Manipulators
Copeland, E. L.; Peticolas, J. D.; Ray, L. D.
1983-01-01
Set of algorithms rapidly calculates minimum safe clearances for remote manipulators. Such calculations are used in design of trajectories for manipulators to ensure they do not accidentally strike surrounding objects. Structural parts are considered as cylindrical shells having circular plane areas for ends. Clearance calculation method offers special benefits in industrial robotics, particularly in automated machining.
Transport coefficients of dilute hydrogen gas, calculations and comparisons with experiments
Schaefer, J., E-mail: jas@mpa-garching.mpg.de [Max-Planck-Institut fuer Astrophysik, Karl-Schwarzschild-Strasse 1, 85741 Garching (Germany)
2010-02-18
The paper presents quantum mechanical ab initio calculations of transport coefficients of dilute H{sub 2} gas, derived from an empirically corrected ab initio interaction potential used in so-called close-coupled channel calculations which provided scattering matrices and subsequently differential scattering cross sections of the elastic and inelastic rotational interactions, for grids of relative kinetic energies sufficient to obtain converged results of transport coefficients at temperatures up to 300 K. The formalism of the Waldmann-Snider theory of the Boltzmann equation has been used following previous work in this field. Results are presented for the pure para- and ortho-H{sub 2} gas as well as for their mixtures. Excellent agreement has been found in comparisons with measured results of pure para-H{sub 2} gas thus providing proof of the proper input used in the calculations. The comparison with measured normal H{sub 2} transport coefficients was also successful for the calculated normal H{sub 2} shear viscosity ({+-}2%) and the calculated translational heat conductivity coefficient ({+-}2%). Deviations from experiments of up to {approx}10% have been found for the total normal H{sub 2} heat conductivity in the temperature range between 75 and 225 K.
Transport coefficients of dilute hydrogen gas, calculations and comparisons with experiments
Schaefer, J.
2010-02-01
The paper presents quantum mechanical ab initio calculations of transport coefficients of dilute H 2 gas, derived from an empirically corrected ab initio interaction potential used in so-called close-coupled channel calculations which provided scattering matrices and subsequently differential scattering cross sections of the elastic and inelastic rotational interactions, for grids of relative kinetic energies sufficient to obtain converged results of transport coefficients at temperatures up to 300 K. The formalism of the Waldmann-Snider theory of the Boltzmann equation has been used following previous work in this field. Results are presented for the pure para- and ortho-H 2 gas as well as for their mixtures. Excellent agreement has been found in comparisons with measured results of pure para-H 2 gas thus providing proof of the proper input used in the calculations. The comparison with measured normal H 2 transport coefficients was also successful for the calculated normal H 2 shear viscosity (±2%) and the calculated translational heat conductivity coefficient (±2%). Deviations from experiments of up to ≈10% have been found for the total normal H 2 heat conductivity in the temperature range between 75 and 225 K.
How Do Calculators Calculate Trigonometric Functions?
Underwood, Jeremy M.; Edwards, Bruce H.
How does your calculator quickly produce values of trigonometric functions? You might be surprised to learn that it does not use series or polynomial approximations, but rather the so-called CORDIC method. This paper will focus on the geometry of the CORDIC method, as originally developed by Volder in 1959. This algorithm is a wonderful…
Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment
1998-03-01
In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)
Electrical installation calculations basic
Kitcher, Christopher
2013-01-01
All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo
Electrical installation calculations advanced
Kitcher, Christopher
2013-01-01
All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio
Electronics Environmental Benefits Calculator
U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...
Waste Package Lifting Calculation
The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation
The temperature dependence of the effective Waldmann--Snider cross sections determining the Senftleben--Beenakker effects of viscosity and heat conductivity has been studied for pH2 gas between 10 and 200 K. From ab initio nonspherical potentials of H2--H2, scattering matrices have been determined in close-coupling calculations. From these, the elements of the scattering amplitude matrix have been obtained and used as input quantities for the evaluation of the various Waldmann--Snider collision integrals. The results of these first ab initio numerical calculations of anisotropic transport coefficients show excellent agreement of calculated and measured effective cross sections, especially for the most recent improved version of the interaction potential. In addition, it has been shown that the polarization production cross sections are quite sensitive to the potential anisotropy
The authors discuss two projects involving quantal collision theory calculations on supercomputers. In the first project the authors are considering HF-HF collisions and calculating rotational energy transfer for collisions of rigid molecules and vibrational-to-vibrational (V-V) energy transfer for collisions including all degrees of freedom. They examined several potential energy surfaces, and they parametrized a new one that should be more accurate for the cross correlation of the forces. For rotational energy transfer they also compared the results to classical trajectory calculations. The quantal calculations were carried out by integrating the close coupling equations with scattering boundary conditions using an extensively vectorized R matrix propagation code on the Control Data Corporation Cyber 205 computer. In the second project they are considering atom-diatom reactive collisions for low initial rotational states and both the ground and first excited vibrational state. The three arrangement channels (A =BC, AB+C, and AC+B) are coupled by the Fock scheme, and the reactive amplitude density (obtained by operating on the initial state with the reactance operator or the total wave function with the interaction potential) is expanded in a square-integrable basis set. This leads to a large system of coupled algebraic equations which are constructed and solved using a large-memory Cray-2 computer. Variational improvements have been tested successfully for nonreactive collisions and will soon be implemented for reactive collisions
Mohammed Abdulrahim Hamdi
2012-02-01
Full Text Available The mobile and wireless industry is entering an exciting time. Demand for mobile technology is growing at a tremendous rate. Corporations are deploying mobile applications that provide substantial business benefits, and consumers are readily adopting mobile data applications. We present scientific application for mobile phone in steps of software engineering project starting from data gathering, data analysis, designing, coding, packaging, testing and deploying, Mobile Scientific Calculator (MSC enable user to compute any mathematical operation by using this application in mobile phone without needing to use the calculator. Scientific calculator offers three keys the four mathematic operations, the four systems of digits and offering many of functions such as angles functions, power, factorial and other functions. Scientific calculator is suitable for many mobile phones which don t have scientific calculator in its applications, it provide simple design for dealing with its functions for all users. It operated on more than one mobile phone model.
Collection of CASIM calculations
Monte Carlo calculations of hadronic cascades at Fermilab have usually been done using the code CASIM written by A. Van Ginneken. These calculations are often performed to determine the quantity of shielding required for radiation protection purposes. A number of examples of such calculations have been presented previously. Several years of practical experience have led the author to develop the collection of additional cases included in the present report. These results along with those given earlier will serve as a useful reference. No attempt was made here to consider all possibilities; rather, the purpose was to develop a useful set of examples. Exceptionally intricate cases should, of course, receive individualized attention as appropriate
nuclear reactor design calculations
In this work , the sensitivity of different reactor calculation methods, and the effect of different assumptions and/or approximation are evaluated . A new concept named error map is developed to determine the relative importance of different factors affecting the accuracy of calculations. To achieve this goal a generalized, multigroup, multi dimension code UAR-DEPLETION is developed to calculate the spatial distribution of neutron flux, effective multiplication factor and the spatial composition of a reactor core for a period of time and for specified reactor operating conditions. The code also investigates the fuel management strategies and policies for the entire fuel cycle to meet the constraints of material and operating limitations
Geogebra: Calculation of Centroid
Qamil Kllogjeri; Pellumb Kllogjeri
2012-01-01
Our paper is result of the research done in a special direction for solving problems of physics by using GeoGebra programme: calculation of centroid. Lots of simulations of physical phenomena from the class of Mechanics can be performed and computational problems can be solved with GeoGebra. GeoGebra offers many commands and one of them is the command “centroid” to calculate the coordinates of the centroid of a polygon but, we have created a new tool to calculate the coordinates of the centr...
We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm, which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. The newly developed technique was applied to GW calculations of systems of unprecedented size, including water/semiconductor interfaces with thousands of electrons
Radioactive cloud dose calculations
Radiological dosage principles, as well as methods for calculating external and internal dose rates, following dispersion and deposition of radioactive materials in the atmosphere are described. Emphasis has been placed on analytical solutions that are appropriate for hand calculations. In addition, the methods for calculating dose rates from ingestion are discussed. A brief description of several computer programs are included for information on radionuclides. There has been no attempt to be comprehensive, and only a sampling of programs has been selected to illustrate the variety available
A Simple Calculator Algorithm.
Cook, Lyle; McWilliam, James
1983-01-01
The problem of finding cube roots when limited to a calculator with only square root capability is discussed. An algorithm is demonstrated and explained which should always produce a good approximation within a few iterations. (MP)
Frederiksen, Morten
2014-01-01
Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs to...... take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...
Handout on shielding calculation
In order to avoid the difficulties of the radioprotection supervisors in the tasks related to shielding calculations, is presented in this paper the basic concepts of shielding theory. It also includes exercises and examples. (author)
IRIS core criticality calculations
Three-dimensional Monte Carlo computer code KENO-VI of CSAS26 sequence of SCALE-4.4 code system was applied for pin-by-pin calculations of the effective multiplication factor for the first cycle IRIS reactor core. The effective multiplication factors obtained by the above mentioned Monte Carlo calculations using 27-group ENDF/B-IV library and 238-group ENDF/B-V library have been compared with the effective multiplication factors achieved by HELIOS/NESTLE, CASMO/SIMULATE, and modified CORD-2 nodal calculations. The results of Monte Carlo calculations are found to be in good agreement with the results obtained by the nodal codes. The discrepancies in effective multiplication factor are typically within 1%. (author)
Unit Cost Compendium Calculations
U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...
Electrical installation calculations
Watkins, AJ
2006-01-01
Designed to provide a step by step guide to successful application of the electrical installation calculations required in day to day electrical engineering practice, the Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike.Now in its seventh edition, Volume 1 has been fully updated to meet the requirements of the 2330 Level 2 Certificate in Electrotechnical Technology from City & Guilds, and will also prove a vi
Shielding calculations for SSC
Monte Carlo calculations of hadron and muon shielding for SSC are reviewed with emphasis on their application to radiation safety and environmental protection. Models and algorithms for simulation of hadronic and electromagnetic showers, and for production and transport of muons in the TeV regime are briefly discussed. Capabilities and limitations of these calculations are described and illustrated with a few examples. 12 refs., 3 figs
Current interruption transients calculation
Peelo, David F
2014-01-01
Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,
Reactor lattice transport calculations
The present lecture is a continuation of the lecture on Introduction to the Neutron Transport Phenomena. It comprises three aspects of lattice calculations. First the idea of a reactor lattice is introduced. Then the main definitions used in reactor lattice analysis are given, and finally two basic methods applied for solution of the transport equations are defined. Several remarks on secondary results from lattice transport calculations are added. (author)
Geometric unsharpness calculations
Anderson, D.J. [International Training and Education Group (INTEG), Oakville, Ontario (Canada)
2008-07-15
The majority of radiographers' geometric unsharpness calculations are normally performed with a mathematical formula. However, a majority of codes and standards refer to the use of a nomograph for this calculation. Upon first review, the use of a nomograph appears more complicated but with a few minutes of study and practice it can be just as effective. A review of this article should provide enlightenment. (author)
Uncertainty calculations made easier
Hogenbirk, A.
1994-07-01
The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL).
Uncertainty calculations made easier
The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL)
Modeling the spectral emission of low-charge iron group ions enables the diagnostic determination of the local physical conditions of many cool plasma environments such as those found in H II regions, planetary nebulae, active galactic nuclei, etc. Electron-impact excitation drives the population of the emitting levels and, hence, their emissivities. By carrying-out Breit-Pauli and intermediate coupling frame transformation (ICFT) R-matrix calculations for the electron-impact excitation of Fe2+, which both use the exact same atomic structure and the same close-coupling expansion, we demonstrate the validity of the application of the powerful ICFT method to low-charge iron group ions. This is in contradiction to the finding of Bautista et al., who carried-out ICFT and Dirac R-matrix calculations for the same ion. We discuss possible reasons.
Daylight calculations in practice
Iversen, Anne; Roy, Nicolas; Hvass, Mette;
The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Experience has shown that results for the same room, obtained from two daylight simulation...... programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities....... The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Furthermore the aim was to provide knowledge of how to build up the 3D models that were to be...
Progress on theoretical calculation
The calculation program NPPD-2 of neutron reaction data in the energy region from 10-11 to 20 MeV has been researched with extending the energy from 5 to 20 MeV. In this program, the cascade γ-de-excitations of the compound nucleus and residual nucleus are described by means of the Troubetzkoy's statistical model and the conservation relations of angular momentum and parity are are considered. This program may be used for the calculations of the natural element, with the number of isotopes less than 10. The program has been finished and the calculations for oxygen are being done in order to test the program. The reaction channels in n + 40Ca, which considered in NPPD-2, are presented
Geogebra: Calculation of Centroid
Qamil Kllogjeri
2012-09-01
Full Text Available Our paper is result of the research done in a special direction for solving problems of physics by using GeoGebra programme: calculation of centroid. Lots of simulations of physical phenomena from the class of Mechanics can be performed and computational problems can be solved with GeoGebra. GeoGebra offers many commands and one of them is the command “centroid” to calculate the coordinates of the centroid of a polygon but, we have created a new tool to calculate the coordinates of the centroid of a plane region bounded by curves. Our work is part of the passionate work of many GeoGebra users which will result with a very rich fund of GeoGebra virtual tools, examples and experiences that will be worldwidely available for many teachers and practioners.
Djouadi, Abdelhak
2002-01-01
I discuss the various available tools for the study of the properties of the new particles predicted in the Minimal Supersymmetric extension of the Standard Model. Emphasis will be put on the codes for the determination of the sparticle and Higgs boson spectrum. Codes for the calculation of production cross sections, decay widths and branching ratios, Dark Matter relic density and detection rates, as well as codes for automatic analytical calculations and Monte-Carlo event generators for Supersymmetric processes will be briefly discussed.
Three recent TDHF calculations
Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision 40Ca nucleus is examined and found to contain many high energy components, qualitatively consistent with recent Orsay experiments. Second, the fusion cross section in energy and angular momentum are calculated for 16O + 24Mg to exhibit the parameters of the low l window for this system. A sensitivity of the fusion cross section to the effective two body potential is discussed. Last, a preliminary analysis of 86Kr + 139La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed
Population dose calculation technique
An original method is suggested for calculating the population doses from gas and aerosol radioactive releases. The method is based on the assumption of uniform population and arable land distribution. The validity of this assumption has been proved for a rather large condition range. Though, some modified formulae are given to take into account the non-uniformity of population distribution, connected with large cities, on the one hand, and with woods, shores, regional borders, on the other hand. Employment of the suggested method results in an apriciable calculation accuracy rise for the long-living slowly precipitating radionuclides as compared with the existing methods
Big Bang Nucleosynthesis Calculation
Kurki-Suonio, H
2001-01-01
I review standard big bang nucleosynthesis and some versions of nonstandard BBN. The abundances of the primordial isotopes D, He-3, and Li-7 produced in standard BBN can be calculated as a function of the baryon density with an accuracy of about 10%. For He-4 the accuracy is better than 1%. The calculated abundances agree fairly well with observations, but the baryon density of the universe cannot be determined with high precision. Possibilities for nonstandard BBN include inhomogeneous and antimatter BBN and nonzero neutrino chemical potentials.
Electrical installation calculations
Watkins, AJ
2006-01-01
Designed to provide a step by step guide to successful application of the electrical installation calculations required in day to day electrical engineering practice, the Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both Foundation and Modern Apprentices, and professional electrical installation engineers alike.Now in its sixth edition, Volume 2 has been fully updated to meet the requirements of the 2330 Level 3 Certificate in Electrotechnical Technology from City & Guilds, and will also prove a vital purchase for students of Level 3
Noordzij, Marlies; Dekker, Friedo W.; Zoccali, Carmine; Jager, Kitty J.
2011-01-01
The sample size is the number of patients or other experimental units that need to be included in a study to answer the research question. Pre-study calculation of the sample size is important; if a sample size is too small, one will not be able to detect an effect, while a sample that is too large may be a waste of time and money. Methods to calculate the sample size are explained in statistical textbooks, but because there are many different formulas available, it can be difficult for inves...
无
2011-01-01
Compared with ellipse cavity, the spoke cavity has many advantages, especially for the low and medium beam energy. It will be used in the superconductor accelerator popular in the future. Based on the spoke cavity, we design and calculate an accelerator
Languages for structural calculations
The differences between human and computing languages are recalled. It is argued that they are to some extent structured in antagonistic ways. Languages in structural calculation, in the past, present, and future, are considered. The contribution of artificial intelligence is stressed
Calendrical Calculation and Intelligence.
O'Connor, Neil; Cowan, Richard; Samella, Katerina
2000-01-01
Studied the ability to name the days of the week for dates in the past and future (calendrical calculation) of 10 calendrical savants with Wechlser Adult Intelligence Scale scores from 50 to 97. Results suggest that although low intelligence does not prevent the development of this skill, the talent depends on general intelligence. (SLD)
Water vapor pressure calculation.
Hall, J R; Brouillard, R G
1985-06-01
Accurate calculation of water vapor pressure for systems saturated with water vapor can be performed using the Goff-Gratch equation. A form of the equation that can be adapted for computer programming and for use in electronic databases is provided. PMID:4008425
Two sets of close coupling calculations have been carried out on the Cray-2 and the Cray Y-MP using the R-matrix method: (i) a 38-term calculation in LS coupling and (ii) a 41-level fine structure calculation in the Breit-Pauli approximation. The first set includes the quartet and sextet terms dominated by the configurations 3d64s, 3d7 and 3d6 4p and collision strengths are calculated for all 703 transitions in LS coupling. The second set of calculations is carried out using the Breit-Pauli version of the R-matrix method and includes a number of important fine structure levels from the quartet and the sextet multiplets and 820 corresponding transitions. Detailed autoionization structures are obtained in both sets of collision strengths, and a significant enhancement is seen in the effective collision strengths for a number of transitions due to the resonances: for example, an enhancement of factors of 1.4, 2.5 and 1.15 respectively for transitions from the 6D ground term to the lowest 4F, 4D and 4P terms. (author)
PIC: Protein Interactions Calculator
Tina, KG; Bhadra, R.; Srinivasan, N.
2007-01-01
Interactions within a protein structure and interactions between proteins in an assembly are essential considerations in understanding molecular basis of stability and functions of proteins and their complexes. There are several weak and strong interactions that render stability to a protein structure or an assembly. Protein Interactions Calculator (PIC) is a server which, given the coordinate set of 3D structure of a protein or an assembly, computes various interactions such as disulphide bo...
Walker, Kyle M; Yang, B H; Groenenboom, G C; van der Avoird, A; Balakrishnan, N; Forrey, R C; Stancil, P C
2015-01-01
Carbon monoxide is a simple molecule present in many astrophysical environments, and collisional excitation rate coefficients due to the dominant collision partners are necessary to accurately predict spectral line intensities and extract astrophysical parameters. We report new quantum scattering calculations for rotational deexcitation transitions of CO induced by H using the three-dimensional potential energy surface~(PES) of Song et al. (2015). State-to-state cross sections for collision energies from 10$^{-5}$ to 15,000~cm$^{-1}$ and rate coefficients for temperatures ranging from 1 to 3000~K are obtained for CO($v=0$, $j$) deexcitation from $j=1-45$ to all lower $j'$ levels, where $j$ is the rotational quantum number. Close-coupling and coupled-states calculations were performed in full-dimension for $j$=1-5, 10, 15, 20, 25, 30, 35, 40, and 45 while scaling approaches were used to estimate rate coefficients for all other intermediate rotational states. The current rate coefficients are compared with prev...
Walker, Kyle M.; Song, L.; Yang, B. H.; Groenenboom, G. C.; van der Avoird, A.; Balakrishnan, N.; Forrey, R. C.; Stancil, P. C.
2015-09-01
Carbon monoxide is a simple molecule present in many astrophysical environments, and collisional excitation rate coefficients due to the dominant collision partners are necessary to accurately predict spectral line intensities and extract astrophysical parameters. We report new quantum scattering calculations for rotational deexcitation transitions of CO induced by H using the three-dimensional potential energy surface (PES) of Song et al. State-to-state cross sections for collision energies from 10-5 to 15,000 cm-1 and rate coefficients for temperatures ranging from 1 to 3000 K are obtained for CO (v = 0, j) deexcitation from j=1-45 to all lower j‧ levels, where j is the rotational quantum number. Close-coupling and coupled-states calculations were performed in full-dimension for j=1-5, 10, 15, 20, 25, 30, 35, 40, and 45 while scaling approaches were used to estimate rate coefficients for all other intermediate rotational states. The current rate coefficients are compared with previous scattering results using earlier PESs. Astrophysical applications of the current results are briefly discussed.
In this paper, excerpts of the 'Core Design', 'Computational Chains' and 'Qualification of Computational Chains' lectures are presented. Nuclear reactor design basic concepts as power distribution and reactivity are defined and analyzed both from the theoretical and the computational point of view. Emphasis is put on the physical meaning and sensitivity of both 'observables' to design parameters. Computational aspects, mainly as regards the effects of the heterogeneity in space and energy in reactor calculations, are afforded too. Structure and qualification of computational code packages are discussed and a practical application to the FRAMATOME SCIENCE advanced computational chain is supplied. (author)
Calculations in furnace technology
Davies, Clive; Hopkins, DW; Owen, WS
2013-01-01
Calculations in Furnace Technology presents the theoretical and practical aspects of furnace technology. This book provides information pertinent to the development, application, and efficiency of furnace technology. Organized into eight chapters, this book begins with an overview of the exothermic reactions that occur when carbon, hydrogen, and sulfur are burned to release the energy available in the fuel. This text then evaluates the efficiencies to measure the quantity of fuel used, of flue gases leaving the plant, of air entering, and the heat lost to the surroundings. Other chapters consi
Zero Temperature Hope Calculations
The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task. The Amaldi correction is an attempt to address this problem by distorting the
Linewidth calculations and simulations
Strandberg, Ingrid
2016-01-01
We are currently developing a new technique to further enhance the sensitivity of collinear laser spectroscopy in order to study the most exotic nuclides available at radioactive ion beam facilities, such as ISOLDE at CERN. The overall goal is to evaluate the feasibility of the new method. This report will focus on the determination of the expected linewidth (hence resolution) of this approach. Different effects which could lead to a broadening of the linewidth, e.g. the ions' energy spread and their trajectories inside the trap, are studied with theoretical calculations as well as simulations.
Several Monte Carlo techniques are compared in the transport of neutrons of different source energies through two different deep-penetration problems each with two parts. The first problem involves transmission through a 200-cm concrete slab. The second problem is a 900 bent pipe jacketed by concrete. In one case the pipe is void, and in the other it is filled with liquid sodium. Calculations are made with two different Los Alamos Monte Carlo codes: the continuous-energy code MCNP and the multigroup code MCMG
Lopez, Cesar
2015-01-01
MATLAB is a high-level language and environment for numerical computation, visualization, and programming. Using MATLAB, you can analyze data, develop algorithms, and create models and applications. The language, tools, and built-in math functions enable you to explore multiple approaches and reach a solution faster than with spreadsheets or traditional programming languages, such as C/C++ or Java. This book is designed for use as a scientific/business calculator so that you can get numerical solutions to problems involving a wide array of mathematics using MATLAB. Just look up the function y
Configuration space Faddeev calculations
The detailed study of few-body systems provides one of the most effective means for studying nuclear physics at subnucleon distance scales. For few-body systems the model equations can be solved numerically with errors less than the experimental uncertainties. We have used such systems to investigate the size of relativistic effects, the role of meson-exchange currents, and the importance of quark degrees of freedom in the nucleus. Complete calculations for momentum-dependent potentials have been performed, and the properties of the three-body bound state for these potentials have been studied. Few-body calculations of the electromagnetic form factors of the deuteron and pion have been carried out using a front-form formulation of relativistic quantum mechanics. The decomposition of the operators transforming convariantly under the Poincare group into kinematical and dynamical parts has been studies. New ways for constructing interactions between particles, as well as interactions which lead to the production of particles, have been constructed in the context of a relativistic quantum mechanics. To compute scattering amplitudes in a nonperturbative way, classes of operators have been generated out of which the phase operator may be constructed. Finally, we have worked out procedures for computing Clebsch-Gordan and Racah coefficients on a computer, as well as giving procedures for dealing with the multiplicity problem
Multilayer optical calculations
Byrnes, Steven J
2016-01-01
When light hits a multilayer planar stack, it is reflected, refracted, and absorbed in a way that can be derived from the Fresnel equations. The analysis is treated in many textbooks, and implemented in many software programs, but certain aspects of it are difficult to find explicitly and consistently worked out in the literature. Here, we derive the formulas underlying the transfer-matrix method of calculating the optical properties of these stacks, including oblique-angle incidence, absorption-vs-position profiles, and ellipsometry parameters. We discuss and explain some strange consequences of the formulas in the situation where the incident and/or final (semi-infinite) medium are absorptive, such as calculating $T>1$ in the absence of gain. We also discuss some implementation details like complex-plane branch cuts. Finally, we derive modified formulas for including one or more "incoherent" layers, i.e. very thick layers in which interference can be neglected. This document was written in conjunction with ...
Weldon Spring dose calculations
In response to a request by the Oak Ridge Operations (ORO) Office of the Department of Energy (DOE) for assistance to the Department of the Army (DA) on the decommissioning of the Weldon Spring Chemical Plant, the Health and Safety Research Division of the Oak Ridge National Laboratory (ORNL) performed limited dose assessment calculations for that site. Based upon radiological measurements from a number of soil samples analyzed by ORNL and from previously acquired radiological data for the Weldon Spring site, source terms were derived to calculate radiation doses for three specific site scenarios. These three hypothetical scenarios are: a wildlife refuge for hunting, fishing, and general outdoor recreation; a school with 40 hr per week occupancy by students and a custodian; and a truck farm producing fruits, vegetables, meat, and dairy products which may be consumed on site. Radiation doses are reported for each of these scenarios both for measured uranium daughter equilibrium ratios and for assumed secular equilibrium. Doses are lower for the nonequilibrium case
Molecular Dynamics Calculations
1996-01-01
The development of thermodynamics and statistical mechanics is very important in the history of physics, and it underlines the difficulty in dealing with systems involving many bodies, even if those bodies are identical. Macroscopic systems of atoms typically contain so many particles that it would be virtually impossible to follow the behavior of all of the particles involved. Therefore, the behavior of a complete system can only be described or predicted in statistical ways. Under a grant to the NASA Lewis Research Center, scientists at the Case Western Reserve University have been examining the use of modern computing techniques that may be able to investigate and find the behavior of complete systems that have a large number of particles by tracking each particle individually. This is the study of molecular dynamics. In contrast to Monte Carlo techniques, which incorporate uncertainty from the outset, molecular dynamics calculations are fully deterministic. Although it is still impossible to track, even on high-speed computers, each particle in a system of a trillion trillion particles, it has been found that such systems can be well simulated by calculating the trajectories of a few thousand particles. Modern computers and efficient computing strategies have been used to calculate the behavior of a few physical systems and are now being employed to study important problems such as supersonic flows in the laboratory and in space. In particular, an animated video (available in mpeg format--4.4 MB) was produced by Dr. M.J. Woo, now a National Research Council fellow at Lewis, and the G-VIS laboratory at Lewis. This video shows the behavior of supersonic shocks produced by pistons in enclosed cylinders by following exactly the behavior of thousands of particles. The major assumptions made were that the particles involved were hard spheres and that all collisions with the walls and with other particles were fully elastic. The animated video was voted one of two
I took only few topics to investigate, some on which I had some personal interest, and others that I felt rather crucial for the design. In this document I report my calculations on these various subjects. Therefore this document represents my tangible contribution to TRISTAN design. I give in the following the list of the topics which are discussed in this document. 1. Increase of the vertical betatron emmitance by skew quadrupoles in the electron storage ring. 2. Bremsstrahlung. 3. Dipole correcting system for electron ring. 4. Wigglers at low energies 5. Steady state compensation of beam loading in the single beam mode in the electron storage ring. 6. Coupled bunch longitudinal instability for electron ring. 7. Ion production and trapping in the electron storage ring for TRISTAN. 8. Estimate of the longitudinal impedance for the TRISTAN electron storage ring. (author)
Isaacson, A.D.
1978-08-01
Using an approximate evaluation of Miller's golden rule formula to calculate autoionization widths which allows for the consideration only of L/sup 2/ functions, the positions and lifetimes of the lowest /sup 1/,/sup 3/P autoionizing states of He have been obtained to reasonable accuracy. This method has been extended to molecular problems, and the ab initio configuration interaction potential energy and width surfaces for the He(2/sup 3/S) + H/sub 2/ system have been obtained. Quantum mechanical close-coupling calculations of ionization cross sections using the complex V* - (i/2) GAMMA-potential have yielded rate constants in good agreement with the experimental results of Lindinger, et al. The potential energy surface of the He(2/sup 1/S) + H/sub 2/ system has also been obtained and exhibits not only a high degree of anisotropy, but also contains a relative maximum for a perpendicular (C/sub 2//sub v/) approach which appears to arise from s-p hybridization of the outer He orbital. However, similar ab initio calculations on the He(2/sup 1/S) + Ar system do not show such anomalous structure. In addition, the complex poles of the S-matrix (Siegert eigenvalues) were calculated for several autoionizing states of He and H/sup -/, with encouraging results even for quite modest basis sets. This method was extended to molecular problems, and results obtained for the He(2/sup 3/S) + H and He(2/sup 1/S) + H systems. 75 references.
Relativistic few body calculations
A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ5γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs
Parallel nearest neighbor calculations
Trease, Harold
We are just starting to parallelize the nearest neighbor portion of our free-Lagrange code. Our implementation of the nearest neighbor reconnection algorithm has not been parallelizable (i.e., we just flip one connection at a time). In this paper we consider what sort of nearest neighbor algorithms lend themselves to being parallelized. For example, the construction of the Voronoi mesh can be parallelized, but the construction of the Delaunay mesh (dual to the Voronoi mesh) cannot because of degenerate connections. We will show our most recent attempt to tessellate space with triangles or tetrahedrons with a new nearest neighbor construction algorithm called DAM (Dial-A-Mesh). This method has the characteristics of a parallel algorithm and produces a better tessellation of space than the Delaunay mesh. Parallel processing is becoming an everyday reality for us at Los Alamos. Our current production machines are Cray YMPs with 8 processors that can run independently or combined to work on one job. We are also exploring massive parallelism through the use of two 64K processor Connection Machines (CM2), where all the processors run in lock step mode. The effective application of 3-D computer models requires the use of parallel processing to achieve reasonable "turn around" times for our calculations.
Exoplanet Equilibrium Chemistry Calculations
Blumenthal, Sarah; Harrington, J.; Bowman, M.; Blecic, J.
2013-10-01
Recently, Agundez et al. (2012, A&A 548, A73) used a chemical kinetics code to study a model HD 209458b (equilibrium temperature of 1450 K, assuming full redistribution and 0 albedo). They found that thermochemistry dominates most of the dayside, but that significant compositional gradients may exist across the dayside. We calculate equilibrium-chemistry molecular abundances for several model exoplanets, using NASA's open-source Chemical Equilibrium Abundances code (McBride and Gordon 1996). We vary the degree of radiation redistribution to the dark side, ranging from total redistribution to instantaneous reradiation. Atomically, both the solar abundance multiple and the carbon fraction vary. Planet substellar temperatures range from just above 1200 K, where photochemistry should no longer be important, to those of hot planets (3000 K). We present synthetic abundance images for the key spectroscopic molecules CO, CH4, and H2O for several hot-Jupiter model planets. This work was supported by the NASA Planetary Atmospheres grant NNX12AI69G.
Relative Hazard Calculation Methodology
The methodology presented in this document was developed to provide a means of calculating the RH ratios to use in developing useful graphic illustrations. The RH equation, as presented in this methodology, is primarily a collection of key factors relevant to understanding the hazards and risks associated with projected risk management activities. The RH equation has the potential for much broader application than generating risk profiles. For example, it can be used to compare one risk management activity with another, instead of just comparing it to a fixed baseline as was done for the risk profiles. If the appropriate source term data are available, it could be used in its non-ratio form to estimate absolute values of the associated hazards. These estimated values of hazard could then be examined to help understand which risk management activities are addressing the higher hazard conditions at a site. Graphics could be generated from these absolute hazard values to compare high-hazard conditions. If the RH equation is used in this manner, care must be taken to specifically define and qualify the estimated absolute hazard values (e.g., identify which factors were considered and which ones tended to drive the hazard estimation)
One of the most important aspects in relation to the quality assurance in any analytical activity is the estimation of measurement uncertainty. There is general agreement that 'the expression of the result of a measurement is not complete without specifying its associated uncertainty'. An analytical process is the mechanism for obtaining methodological information (measurand) of a material system (population). This implies the need for the definition of the problem, the choice of methods for sampling and measurement and proper execution of these activities for obtaining information. The result of a measurement is only an approximation or estimate of the value of the measurand, which is complete only when accompanied by an estimate of the uncertainty of the analytical process. According to the 'Vocabulary of Basic and General Terms in Metrology' measurement uncertainty' is the parameter associated with the result of a measurement that characterizes the dispersion of the values that could reasonably be attributed to the measurand (or magnitude). This parameter could be a standard deviation or a confidence interval. The uncertainty evaluation requires detailed look at all possible sources, but not disproportionately. We can make a good estimate of the uncertainty concentrating efforts on the largest contributions. The key steps of the process of determining the uncertainty in the measurements are: - the specification of the measurand; - identification of the sources of uncertainty - the quantification of individual components of uncertainty, - calculate the combined standard uncertainty; - report of uncertainty.
Ahrens, Thomas J.
2001-01-01
We examined the von Mises and Mohr-Coulomb strength models with and without damage effects and developed a model for dilatancy. The models and results are given in O'Keefe et al. We found that by incorporating damage into the models that we could in a single integrated impact calculation, starting with the bolide in the atmosphere produce final crater profiles having the major features found in the field measurements. These features included a central uplift, an inner ring, circular terracing and faulting. This was accomplished with undamaged surface strengths of approximately 0.1 GPa and at depth strengths of approximately 1.0 GPa. We modeled the damage in geologic materials using a phenomenological approach, which coupled the Johnson-Cook damage model with the CTH code geologic strength model. The objective here was not to determine the distribution of fragment sizes, but rather to determine the effect of brecciated and comminuted material on the crater evolution, fault production, ejecta distribution, and final crater morphology.
Configuration space Faddeev calculations
The detailed study of few-body systems provides one of the most precise tools for studying the dynamics of nuclei. Our research program consists of a careful theoretical study of the nuclear few-body systems. During the past year we have completed several aspects of this program. We have continued our program of using the trinucleon system to investigate the validity of various realistic nucleon-nucleon potentials. Also, the effects of meson-exchange currents in nuclear systems have been studied. Initial calculations using the configuration-space Faddeev equations for nucleon-deuteron scattering have been completed. With modifications to treat relativistic systems, few-body methods can be applied to phenomena that are sensitive to the structure of the individual hadrons. We have completed a review of Relativistic Hamiltonian Dynamics in Nuclear and Particle Physics for Advances in Nuclear Physics. Although it is called a review, it is a large document that contains a significant amount of new research
Bluteau, M M; Badnell, N R
2015-01-01
With construction of ITER progressing and existing tokamaks carrying out ITER-relevant experiments, accurate fundamental and derived atomic data for numerous ionization stages of tungsten (W) is required to assess the potential effect of this species upon fusion plasmas. The results of fully relativistic, partially radiation damped, Dirac $R$-matrix electron-impact excitation calculations for the W$^{44+}$ ion are presented. These calculations use a configuration interaction and close-coupling expansion that opens-up the 3d-subshell, which does not appear to have been considered before in a collision calculation. As a result, it is possible to investigate the arrays, [3d$^{10}$4s$^2-$3d$^9$4s$^2$4f] and [3d$^{10}$4s$^2-$3d$^9$4s4p4d], which are predicted to contain transitions of diagnostic importance for the soft x-ray region. Our $R$-matrix collision data are compared with previous $R$-matrix results by Ballance and Griffin as well as our own relativistically corrected, Breit-Pauli distorted wave and plane-...
Surface retention capacity calculation
David, Vaclav; Dostal, Tomas
2010-05-01
Flood wave transformation in the floodplain is the phenomenon which is researched within interdisciplinary project NIVA - Water Retention in Floodplains and Possibilities of Retention Capacity Increase. The project focuses on broad range of floodplain ecosystem services and mitigation of flooding is one of them. Despite main influence on flood wave transformation is due to flow retardation, retention in surface depressions within floodplain has been analyzed to get better overview of whole transformation process. Detail digital relief model (DRM) has been used for given purposes to be able to analyze terrain depressions volumes. The model was developed with use of stereophotogrammetric evaluation of airborne images with high resolution of 10 cm. It was essential for purposes of presented analysis not to apply pit removal routines which are often used for generation of DRM for hydrological modelling purposes. First, the methodology of analysis was prepared and tested on artificial surface. This surface was created using random raster generation, filtration and resampling with final resolution of 1000 x 1000 units and height of maximum 10 units above datum. The methodology itself is based on analysis of areas inundated by water at different elevation levels. Volume is than calculated for each depression using extraction of terrain elevations under corresponding water level. The method was then applied on the area of Lužnice River floodplain section to assess retention capacity of real floodplain. The floodplain had to be cut into sections perpendicular to main river orientation for analyses as the method was tested for square shaped area without any significant inclination. Results obtained by mentioned analysis are presented in this paper. Acknowledgement Presented research was accomplished within national project NIVA - Water Retention in Floodplains and Possibilities of Retention Capacity Increase, nr. QH82078. The project is funded by Ministry of Agriculture of
The rating reliability calculator
Solomon David J
2004-04-01
Full Text Available Abstract Background Rating scales form an important means of gathering evaluation data. Since important decisions are often based on these evaluations, determining the reliability of rating data can be critical. Most commonly used methods of estimating reliability require a complete set of ratings i.e. every subject being rated must be rated by each judge. Over fifty years ago Ebel described an algorithm for estimating the reliability of ratings based on incomplete data. While his article has been widely cited over the years, software based on the algorithm is not readily available. This paper describes an easy-to-use Web-based utility for estimating the reliability of ratings based on incomplete data using Ebel's algorithm. Methods The program is available public use on our server and the source code is freely available under GNU General Public License. The utility is written in PHP, a common open source imbedded scripting language. The rating data can be entered in a convenient format on the user's personal computer that the program will upload to the server for calculating the reliability and other statistics describing the ratings. Results When the program is run it displays the reliability, number of subject rated, harmonic mean number of judges rating each subject, the mean and standard deviation of the averaged ratings per subject. The program also displays the mean, standard deviation and number of ratings for each subject rated. Additionally the program will estimate the reliability of an average of a number of ratings for each subject via the Spearman-Brown prophecy formula. Conclusion This simple web-based program provides a convenient means of estimating the reliability of rating data without the need to conduct special studies in order to provide complete rating data. I would welcome other researchers revising and enhancing the program.
Thermal reliability and performance improvement of close-coupled catalytic converter
Hijikata, Toshihiko; Kurachi, Hiroshi; Katsube, Fumio [NGK Insulators, Ltd., Nagoya (Japan); Honacker, H. van
1996-09-01
This paper proposes a high temperature catalytic converter design using a ceramic substrate and intumescent matting. It also describes the improvement of converter performance using an advanced thin wall ceramic substrate. Due to future tightening of emission regulations and improvement of fuel economy, higher exhaust gas temperatures are suggested. Therefore, reduction of thermal reliability of an intumescent mat will be a concern because the catalytic converter will be exposed to high temperatures. For this reason, a new design converter has been developed using a dual cone structure for both the inlet and outlet cones. This minimizes heat conduction through the cone and decreases the temperature affecting the mat area. This design converter, without the use of a heat-shield, reduces the converter surface temperature to 441 C despite a catalyst bed temperature of 1,050 C. The long term durability of the converter is demonstrated by the hot vibration test. Since the new design converter does not need a heat-shield, the catalyst diameter can be enlarged by the width of the air gap used in the current design converter. By using an advanced thin wall ceramic substrate, such as 0.11 mm/620 kcpsm (4 mil/400 cpsi), it is possible to improve emission performance and pressure drop compared with the conventional 0.16 mm/620 kcpsm (6 mil/400 cpsi) ceramic substrate.
A mathematical basis for automated structured grid generation with close coupling to the flow solver
Barnette, D.W.
1998-02-01
The first two truncation error terms resulting from finite differencing the convection terms in the two-dimensional Navier-Stokes equations are examined for the purpose of constructing two-dimensional grid generation schemes. These schemes are constructed such that the resulting grid distributions drive the error terms to zero. Two sets of equations result, one for each error term, that show promise in generating grids that provide more accurate flow solutions and possibly faster convergence. One set results in an algebraic scheme that drives the first truncation term to zero, and the other a hyperbolic scheme that drives the second term to zero. Also discussed is the possibility of using the schemes in sequentially constructing a grid in an iterative algorithm involving the flow solver. In essence, the process is envisioned to generate not only a flow field solution but the grid as well, rendering the approach a hands-off method for grid generation
Melt metal sheet breaking mechanism of close-coupled gas atomization
OUYANG Hong-wu; HUANG Bai-yun; CHEN Xin; YU Wen-tao
2005-01-01
The gas atomization is the process that a liquid mass is disintegrated into a collection of liquid melt droplets by the impact of high velocity gas stream and solidified into metal particles. However, the liquid melt sheet breaking mechanism has not been fully understood. So the experimental research was carried out under the condition of lower melt superheat. The results reveal that there are three approaches about melt metal sheet's breakage: from the edges of sheets, from inner surface of sheets, and disrupted by other droplets and sheets. The approach of melt sheet breakage is dependent on its thickness. The thicker sheets (above 25 μm) are disintegrated mainly by the way of droplet's departing from edges, and the thinner sheets (below 10 μm) are chiefly breaking from the inner surface.
Jensen, Rasmus Eskild
coupled work practices emphasize the importance of establishing mutual shared dependencies across project members and locations to establish an incentive for more interaction. Sharing dependencies across horizontal and vertical hierarchies connected project members, which enabled knowledge sharing...
Calculation of electrons scattering on hydrogenic targets
Bray, I. [Flinders Univ. of South Australia, Adelaide, SA (Australia). Electronic Structure of Materials Centre; Stelbovics, A.T. [Murdoch Univ., Perth, WA (Australia). School of Mathematical and Physical Sciences
1994-10-01
This review is structured in the following way. Firstly, it gives an outline of the various electron scattering methods currently in use, then discusses their strengths and weaknesses, and contrast these with the Convergent Close-Coupling (CCC) method. This will be followed by a section devoted to the detailed description of the CCC method. Subsequently, various comparisons of experiment, the CCC method, and those of other available theories will be presented for a number of targets. It concentrates on issues of greatest interest, namely where treatment of the target continuum is of great importance, or where there are unresolved discrepancies with experiment. Lastly, it indicates what is considered to be outstanding problems and suggests future directions for our approach to electron scattering problems. 124 refs., 10 figs.
Calculation of electrons scattering on hydrogenic targets
This review is structured in the following way. Firstly, it gives an outline of the various electron scattering methods currently in use, then discusses their strengths and weaknesses, and contrast these with the Convergent Close-Coupling (CCC) method. This will be followed by a section devoted to the detailed description of the CCC method. Subsequently, various comparisons of experiment, the CCC method, and those of other available theories will be presented for a number of targets. It concentrates on issues of greatest interest, namely where treatment of the target continuum is of great importance, or where there are unresolved discrepancies with experiment. Lastly, it indicates what is considered to be outstanding problems and suggests future directions for our approach to electron scattering problems. 124 refs., 10 figs
Calculation of multiphoton ionization processes
Chang, T. N.; Poe, R. T.
1976-01-01
We propose an accurate and efficient procedure in the calculation of multiphoton ionization processes. In addition to the calculational advantage, this procedure also enables us to study the relative contributions of the resonant and nonresonant intermediate states.
HEU benchmark calculations and LEU preliminary calculations for IRR-1
We performed neutronics calculations for the Soreq Research Reactor, IRR-1. The calculations were done for the purpose of upgrading and benchmarking our codes and methods. The codes used were mainly WIMS-D/4 for cell calculations and the three dimensional diffusion code CITATION for full core calculations. The experimental flux was obtained by gold wire activation methods and compared with our calculated flux profile. The IRR-1 is loaded with highly enriched uranium fuel assemblies, of the plate type. In the framework of preparation for conversion to low enrichment fuel, additional calculations were done assuming the presence of LEU fresh fuel. In these preliminary calculations we investigated the effect on the criticality and flux distributions of the increase of U-238 loading, and the corresponding uranium density.(author)
A comparison of carbon calculators
International attention to carbon dioxide emissions is turning to an individual's contribution, or 'carbon footprint.' Calculators that estimate an individual's CO2 emissions have become more prevalent on the internet. Even with similar inputs, however, these calculators can generate varying results, often by as much as several metric tons per annum per individual activity. This paper examines the similarities and differences among ten US-based calculators. Overall, the calculators lack consistency, especially for estimates of CO2 emissions from household electricity consumption. In addition, most calculators lack information about their methods and estimates, which impedes comparison and validation. Although carbon calculators can promote public awareness of carbon emissions from individual behavior, this paper reveals the need for improved consistency and transparency in the calculators
Invert Effective Thermal Conductivity Calculation
The objective of this calculation is to evaluate the temperature-dependent effective thermal conductivities of a repository-emplaced invert steel set and surrounding ballast material. The scope of this calculation analyzes a ballast-material thermal conductivity range of 0.10 to 0.70 W/m · K, a transverse beam spacing range of 0.75 to 1.50 meters, and beam compositions of A 516 carbon steel and plain carbon steel. Results from this calculation are intended to support calculations that identify waste package and repository thermal characteristics for Site Recommendation (SR). This calculation was developed by Waste Package Department (WPD) under Office of Civilian Radioactive Waste Management (OCRWM) procedure AP-3.12Q, Revision 1, ICN 0, Calculations
Global nuclear-structure calculations
The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to ε2 and ε4 used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and Β-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential
Measurement and calculation of evaporation
Plesničar, Leja
2015-01-01
The thesis presents three selected methods of measurement and calculation of the evapotranspiration on research plot at Hajdrihova 28 in Ljubljana. First method is measurement by evaporation pan type A and the other two methods are empirical equations for potential evapotranspiration calculation: FAO Penman-Monteith equation and Thornthwait equation. The results obtained for all three methods are compared with each other. Calculated results according to the FAO Penman-Monteith equation wer...
Calculation of Spectra of Solids:
Lindgård, Per-Anker
1975-01-01
The Gilat-Raubenheimer method simplified to tetrahedron division is used to calculate the real and imaginary part of the dynamical response function for electrons. A frequency expansion for the real part is discussed. The Lindhard function is calculated as a test for numerical accuracy....... The conduction electron susceptibility is calculated for Gd, Tb and Dy using the RAPW energy bands by Keeton and Louks....
CAVEAT calculations of shock interactions
CAVEAT is a computer code for calculating the time-varying fluid dynamics of several adjacent materials in two or three space dimensions. Using an extended Godunov technique and adaptive meshing, the code allows for large slippage at material interfaces. To exhibit the capability for calculating strong distortions we have performed a variety of calculations describing the interaction of shocks with rigid wedges, cylinders, and spheres and deformable cylindrical, spherical, and conical shells in two space dimensions. Comparison of the results with experimental data and analytical solutions demonstrates the considerable accuracy that can be expected from calculations with this code
We report new potential energy surfaces for the ground state Ar–NO(X2Π) van der Waals system calculated using the unrestricted Hartree-Fock (UHF) method with the addition of the Becke-Roussel correlation functional and exchange-hole dipole moment dispersion correction (XDM). We compare UHFBR-XDM surfaces and those previously reported by Alexander from coupled cluster CCSD(T) calculations [J. Chem. Phys. 111, 7426 (1999)]. The bound states of Ar–NO have been investigated with these new UHFBR-XDM surfaces, including relative energy-level spacing, adiabatic bender states and wave functions, and spectroscopic data. These results have been found to be in good agreement with calculations based on the CCSD(T) PESs. These new PESs are used to investigate the inelastic scattering of NO(X) by Ar. Full close-coupling integral cross sections at collision energies of 442 cm−1, 1774 cm−1 and differential cross sections at collision energy of 530 cm−1 were determined for transitions out of the lowest NO(X) rotational level (j = ω = 1/2,f). These cross sections are in good agreement with those calculated with CCSD(T) and accordingly in good agreement with the most recent initial and final state resolved experimental data. The UHFBR-XDM scheme yields high-quality potential surfaces with computational cost comparable to the Hartree-Fock method and our results may serve as a benchmark for application of this scheme to collisions between larger molecules
Calculations of effective atomic number
Kaliman, Z. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia); Orlic, N. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia)], E-mail: norlic@ffri.hr; Jelovica, I. [Department of Physics, Faculty of Arts and Sciences, Omladinska 14, Rijeka (Croatia)
2007-09-21
We present and discuss effective atomic number (Z{sub eff}) obtained by different methods of calculations. There is no unique relation between the computed values. This observation led us to the conclusion that any Z{sub eff} is valid only for given process. We illustrate calculations for different subshells of atom Z=72 and for M3 subshell of several other atoms.
Calculation of two Belyi pairs
Dremov, V. A.
2008-01-01
We calculate two Belyi pairs using the properties of Mulase-Penkava differential. Details are provided including accurate construction of coordinates, variables and equations. The calculation is a part of the work which results in a catalogue arXiv:0710.2658
CELSS scenario analysis: Breakeven calculations
Mason, R. M.
1980-01-01
A model of the relative mass requirements of food production components in a controlled ecological life support system (CELSS) based on regenerative concepts is described. Included are a discussion of model scope, structure, and example calculations. Computer programs for cultivar and breakeven calculations are also included.
Shielding calculational system for plutonium
A computer calculational system has been developed and assembled specifically for calculating dose rates in AEC plutonium fabrication facilities. The system consists of two computer codes and all nuclear data necessary for calculation of neutron and gamma dose rates from plutonium. The codes include the multigroup version of the Battelle Monte Carlo code for solution of general neutron and gamma shielding problems and the PUSHLD code for solution of shielding problems where low energy gamma and x-rays are important. The nuclear data consists of built in neutron and gamma yields and spectra for various plutonium compounds, an automatic calculation of age effects and all cross-sections commonly used. Experimental correlations have been performed to verify portions of the calculational system. (23 tables, 7 figs, 16 refs) (U.S.)
Closure and Sealing Design Calculation
T. Lahnalampi; J. Case
2005-08-26
The purpose of the ''Closure and Sealing Design Calculation'' is to illustrate closure and sealing methods for sealing shafts, ramps, and identify boreholes that require sealing in order to limit the potential of water infiltration. In addition, this calculation will provide a description of the magma that can reduce the consequences of an igneous event intersecting the repository. This calculation will also include a listing of the project requirements related to closure and sealing. The scope of this calculation is to: summarize applicable project requirements and codes relating to backfilling nonemplacement openings, removal of uncommitted materials from the subsurface, installation of drip shields, and erecting monuments; compile an inventory of boreholes that are found in the area of the subsurface repository; describe the magma bulkhead feature and location; and include figures for the proposed shaft and ramp seals. The objective of this calculation is to: categorize the boreholes for sealing by depth and proximity to the subsurface repository; develop drawing figures which show the location and geometry for the magma bulkhead; include the shaft seal figures and a proposed construction sequence; and include the ramp seal figure and a proposed construction sequence. The intent of this closure and sealing calculation is to support the License Application by providing a description of the closure and sealing methods for the Safety Analysis Report. The closure and sealing calculation will also provide input for Post Closure Activities by describing the location of the magma bulkhead. This calculation is limited to describing the final configuration of the sealing and backfill systems for the underground area. The methods and procedures used to place the backfill and remove uncommitted materials (such as concrete) from the repository and detailed design of the magma bulkhead will be the subject of separate analyses or calculations. Post
Closure and Sealing Design Calculation
The purpose of the ''Closure and Sealing Design Calculation'' is to illustrate closure and sealing methods for sealing shafts, ramps, and identify boreholes that require sealing in order to limit the potential of water infiltration. In addition, this calculation will provide a description of the magma that can reduce the consequences of an igneous event intersecting the repository. This calculation will also include a listing of the project requirements related to closure and sealing. The scope of this calculation is to: summarize applicable project requirements and codes relating to backfilling nonemplacement openings, removal of uncommitted materials from the subsurface, installation of drip shields, and erecting monuments; compile an inventory of boreholes that are found in the area of the subsurface repository; describe the magma bulkhead feature and location; and include figures for the proposed shaft and ramp seals. The objective of this calculation is to: categorize the boreholes for sealing by depth and proximity to the subsurface repository; develop drawing figures which show the location and geometry for the magma bulkhead; include the shaft seal figures and a proposed construction sequence; and include the ramp seal figure and a proposed construction sequence. The intent of this closure and sealing calculation is to support the License Application by providing a description of the closure and sealing methods for the Safety Analysis Report. The closure and sealing calculation will also provide input for Post Closure Activities by describing the location of the magma bulkhead. This calculation is limited to describing the final configuration of the sealing and backfill systems for the underground area. The methods and procedures used to place the backfill and remove uncommitted materials (such as concrete) from the repository and detailed design of the magma bulkhead will be the subject of separate analyses or calculations. Post-closure monitoring will not
Calculation of thermal diffuse scattering
Wakabayashi, N.; Nicklow, R. M.; Katano, S.; Ishii, Y.; Child, H. R.; Smith, H. G.; Fernandez-Baca, J. A.
We have developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single-crystal specimens in a diffractometer with no energy analysis. We assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtain for single crystals of Si, diamond and NiAl at the wide-angle neutron diffractometer (WAND) at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations.
Calculation of thermal diffuse scattering
The authors developed a computer program to calculate the thermal diffuse scattering (TDS) intensity distribution for single crystal specimens in a diffractometer with no energy analysis. They assumed that the phonon frequencies are approximated by those of elastic waves and that the elastic constants, density and lattice parameters of the system under study are known. The results of the calculations were compared to experimental data obtained for single crystals of Si, diamond and NiAl at the Wide Angle neutron Diffractometer at the HFIR at Oak Ridge National Laboratory. Excellent agreement was found between the calculations and the experimental observations
Practical astronomy with your calculator
Duffett-Smith, Peter
1989-01-01
Practical Astronomy with your Calculator, first published in 1979, has enjoyed immense success. The author's clear and easy to follow routines enable you to solve a variety of practical and recreational problems in astronomy using a scientific calculator. Mathematical complexity is kept firmly in the background, leaving just the elements necessary for swiftly making calculations. The major topics are: time, coordinate systems, the Sun, the planetary system, binary stars, the Moon, and eclipses. In the third edition there are entirely new sections on generalised coordinate transformations, nutr
Bulut, N; Castillo, J F; Jambrina, P G; Kłos, J; Roncero, O; Aoiz, F J; Bañares, L
2015-12-17
Accurate quantum reactive scattering time-dependent wave packet close-coupling calculations have been carried out to determine total reaction probabilities and integral cross sections for the O(+) + H2 → OH(+) + H reaction in a range of collision energies from 10(-3) eV up to 1.0 eV for the H2 rovibrational states (v = 0; j = 0, 1, 2) and (v = 1; j = 0) using the potential energy surface (PES) by Martı́nez et al. As expected for a barrierless reaction, the reaction cross section decays rapidly with collision energy, Ec, following a behavior that nearly corresponds to that predicted by the Langevin model. Rotational excitation of H2 into j = 1, 2 has a very moderate effect on reactivity, similarly to what happens with vibrational excitation below Ec ≈ 0.3 eV. However, at higher collision energies the cross section increases notably when H2 is promoted to v = 1. This effect is explained by resorting to the effective potentials in the entrance channel. The integral cross sections have been used to calculate rate constants in the temperature range 200-1000 K. A good overall agreement has been found with the available experimental data on integral cross sections and rate constants. In addition, time-independent quantum mechanical and quasi-classical trajectory (QCT) calculations have been performed on the same PES aimed to compare the various methodologies and to discern the detailed mechanism of the title reaction. In particular, the analysis of individual trajectories has made it possible to explain, in terms of the coupling between reagent relative velocity and the topography of the PES, the presence of a series of alternating maxima and minima in the collision energy dependence of the QCT reaction probabilities for the reactions with H2(v=0,1,j=0), which are absent in the quantum mechanical calculations. PMID:25822338
Relativistic calculations of atomic structure
Fricke, Burkhard
1984-01-01
A review of relativistic atomic structure calculations is given with a emphasis on the Multiconfigurational-Dirac-Fock method. Its problems and deficiencies are discussed together with the contributions which go beyond the Dirac-Fock procedure.
Calculations of turbulent separated flows
Zhu, J.; Shih, T. H.
1993-01-01
A numerical study of incompressible turbulent separated flows is carried out by using two-equation turbulence models of the K-epsilon type. On the basis of realizability analysis, a new formulation of the eddy-viscosity is proposed which ensures the positiveness of turbulent normal stresses - a realizability condition that most existing two-equation turbulence models are unable to satisfy. The present model is applied to calculate two backward-facing step flows. Calculations with the standard K-epsilon model and a recently developed RNG-based K-epsilon model are also made for comparison. The calculations are performed with a finite-volume method. A second-order accurate differencing scheme and sufficiently fine grids are used to ensure the numerical accuracy of solutions. The calculated results are compared with the experimental data for both mean and turbulent quantities. The comparison shows that the present model performs quite well for separated flows.
Adriano Kozoroski Reis
2012-03-01
Full Text Available O objetivo geral deste trabalho é verificar os meios de disseminação da Educação Fiscal no Brasil, especificamente nos 27 estados da federação, distribuídos nas regiões Norte, Nordeste, Sudeste, Sul e Centro-Oeste. Como objetivos específicos tem-se: determinar mecanismos para a gestão transparente e eficiente dos recursos públicos; mostrar formas de divulgação destas ações para a sociedade e apresentar maneiras para a sociedade exercer o pleno exercício da cidadania. A metodologia utilizada é de pesquisa descritiva e bibliográfica, associada ao desempenho de órgãos públicos na disseminação da educação fiscal. A trajetória metodológica divide-se em três fases: a primeira, “Fundamentação Teórica”, em que são abordados os temas relacionados ao assunto pesquisado. Trata-se de temas atinentes a Finanças Públicas, Sistema Tributário Nacional, Direito Constitucional, Controle Externo e Educação Fiscal. Na segunda fase apresenta-se a “Pesquisa de Campo”, com a utilização de questionários aplicados aos profissionais ligados aos programas de educação fiscal. Na terceira e última fase apresenta-se uma “Proposta de Modelo de Gestão para Educação Fiscal”. No final conclui-se que a perspectiva de avanço no programa de Educação Fiscal e a integração da sociedade ao controle social e transparente da gestão pública necessitam de um modelo de gestão capaz de avaliar os resultados do programa. The aim of this study is to test the means of dissemination of Fiscal Education in Brazil specifically in the 27 states of the federation, distributed in North, Northeast, Southeast, South and Midwest. The specific objectives are to: Determine mechanisms for efficient and transparent management of public resources; Show forms of disclosure of these actions to society; and present ways for society to exercise full citizenship. The methodology used is descriptive and literature associated with the performance
The calculation of pressure vessels
The calculation guidelines of the Arbeitsgemeinschaft Druckbehaelter (task group for pressure vessels) have been revised with the following objective: conversion to international standards (SI), adaption to the latest state of guidelines for production and testing, revision of the contents of individual regulations. Another target of the cooperating interest groups of producers, operators, and supervisory bodies was a harmonization of the approaches for calculation with other German guidelines, in particular the Technische Regeln fuer Dampfkessel (technical regulations for steam boilers). (orig./RW)
Calculation method of Tesla coil
Коломієць, Роман Олександрович
2015-01-01
Tesla coil, despite the simplicity of its design may be called one of the least studied electronic devices. The article is an attempt to bring in various experimental results of general theoretical framework, which is the basis of exact calculation method of Tesla coils. Such calculation should be the starting point to create devices based on it. In order to develop such methods were considered the general principles of designing Tesla coil, reviewed the most famous mathematical models of its...
Hydraulic calculation of pressure pipes
Mikhalev, M. A.
2012-01-01
In the present time there is only one classic method for hydraulic calculation of pressure pipes. In it fluid flow velocity and pipeline diameter are considered as given values.The paper proposes a procedure for physical modeling and hydraulic calculation of pressure pipes, based on the theory of similarity. Methods for obtaining similarity criteria from combinations of similarity numbers were discussed. Similarity numbers and criteria and criteria equations were defined.
Multifragmentation calculated with relativistic forces
A saturating hamiltonian is presented in a relativistically covariant formalism. The interaction is described by scalar and vector mesons, with coupling strengths adjusted to the nuclear matter. No explicit density dependence is assumed. The hamiltonian is applied in a QMD calculation to determine the fragment distribution in O + Br collision at different energies (50 - 200 MeV/u) to test the applicability of the model at low energies. The results are compared with experiment and with previous non-relativistic calculations. (orig.)
Methods of core neutronic calculation
Core neutronic calculations lead to the determination of geometry, composition, controls systems and to the core exploitation limits in agreement with the expected performances, with safety rules, technological choices and fuel management methods. Neutronic calculations object are described with physics justifications of hypothesis and approximations. A description and a definition of reactivity and power distribution are also given. A panorama of calculation methods used in the conception of fast breeder and pressure water reactors, are described with numerical aspects and general interest considerations related to the field of these methods and to the industrial options chosen. A complete industrial uses panorama of methods derived from the classical or generalized perturbation theory is followed by the qualification and the definition of the validity field of numerical codes.(A.B.). 88 refs., 6 figs
Parameters calculation of shielding experiment
The radiation transport methodology comparing the calculated reactions and dose rates for neutrons and gama-rays, with experimental measurements obtained on iron shield, irradiated in the YAYOI reactor is evaluated. The ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system, for cross sections generation collapsed by the ANISN code were used. The transport calculations were made using the DOT 3.5 code, adjusting the boundary iron shield source spectrum to the reactions and dose rates, measured at the beginning of shield. The neutron and gamma ray distributions calculated on the iron shield presented reasonable agreement with experimental measurements. An experimental arrangement using the IEA-R1 reactor to determine a shielding benchmark is proposed. (Author)
PHEBUS-FPTO Benchmark calculations
This report summarizes a set of pre-test predictions made for the first Phebus-FP test, FPT-O. There were many different calculations, performed by various organizations and they represent the first attempt to calculate the whole experimental sequence, from bundle to containment. Quantitative agreement between the various calculations was not good but the particular models in the code responsible for disagreements were mostly identified. A consensus view was formed as to how the test would proceed. It was found that a successful execution of the test will require a different operating procedure than had been assumed here. Critical areas which require close attention are the need to devize a strategy for the power and flow in the bundle that takes account of uncertainties in the modelling and the shroud conductivity and the necessity to develop a reliable method to achieve the desired thermalhydraulic conditions in the containment
Insertion device calculations with mathematica
Carr, R. [Stanford Synchrotron Radiation Lab., CA (United States); Lidia, S. [Univ. of California, Davis, CA (United States)
1995-02-01
The design of accelerator insertion devices such as wigglers and undulators has usually been aided by numerical modeling on digital computers, using code in high level languages like Fortran. In the present era, there are higher level programming environments like IDL{reg_sign}, MatLab{reg_sign}, and Mathematica{reg_sign} in which these calculations may be performed by writing much less code, and in which standard mathematical techniques are very easily used. The authors present a suite of standard insertion device modeling routines in Mathematica to illustrate the new techniques. These routines include a simple way to generate magnetic fields using blocks of CSEM materials, trajectory solutions from the Lorentz force equations for given magnetic fields, Bessel function calculations of radiation for wigglers and undulators and general radiation calculations for undulators.
Canister Transfer Facility Criticality Calculations
J.E. Monroe-Rammsy
2000-10-13
The objective of this calculation is to evaluate the criticality risk in the surface facility for design basis events (DBE) involving Department of Energy (DOE) Spent Nuclear Fuel (SNF) standardized canisters (Civilian Radioactive Waste Management System [CRWMS] Management and Operating Contractor [M&O] 2000a). Since some of the canisters will be stored in the surface facility before they are loaded in the waste package (WP), this calculation supports the demonstration of concept viability related to the Surface Facility environment. The scope of this calculation is limited to the consideration of three DOE SNF fuels, specifically Enrico Fermi SNF, Training Research Isotope General Atomic (TRIGA) SNF, and Mixed Oxide (MOX) Fast Flux Test Facility (FFTF) SNF.
Friction and wear calculation methods
Kragelsky, I V; Kombalov, V S
1981-01-01
Friction and Wear: Calculation Methods provides an introduction to the main theories of a new branch of mechanics known as """"contact interaction of solids in relative motion."""" This branch is closely bound up with other sciences, especially physics and chemistry. The book analyzes the nature of friction and wear, and some theoretical relationships that link the characteristics of the processes and the properties of the contacting bodies essential for practical application of the theories in calculating friction forces and wear values. The effect of the environment on friction and wear is a
Ab Initio Calculations of Oxosulfatovanadates
Frøberg, Torben; Johansen, Helge
1996-01-01
Restricted Hartree-Fock and multi-configurational self-consistent-field calculations together with secondorder perturbation theory have been used to study the geometry, the electron density, and the electronicspectrum of (VO2SO4)-. A bidentate sulphate attachment to vanadium was found to be stable...... with anO-V-O angle of 72.5 degrees . The calculated spectrum shows bands in reasonable agreement with anexperimental spectrum which has been attributed to (VO2SO4)-. The geometry and the electron density fortwo binuclear vanadium complexes proposed as intermediates in the vanadium catalyzed SO2...
Data Acquisition and Flux Calculations
Rebmann, C.; Kolle, O; Heinesch, B;
2012-01-01
In this chapter, the basic theory and the procedures used to obtain turbulent fluxes of energy, mass, and momentum with the eddy covariance technique will be detailed. This includes a description of data acquisition, pretreatment of high-frequency data and flux calculation.......In this chapter, the basic theory and the procedures used to obtain turbulent fluxes of energy, mass, and momentum with the eddy covariance technique will be detailed. This includes a description of data acquisition, pretreatment of high-frequency data and flux calculation....
Molecular calculations with B functions
Steinborn, E O; Ema, I; López, R; Ramírez, G
1998-01-01
A program for molecular calculations with B functions is reported and its performance is analyzed. All the one- and two-center integrals, and the three-center nuclear attraction integrals are computed by direct procedures, using previously developed algorithms. The three- and four-center electron repulsion integrals are computed by means of Gaussian expansions of the B functions. A new procedure for obtaining these expansions is also reported. Some results on full molecular calculations are included to show the capabilities of the program and the quality of the B functions to represent the electronic functions in molecules.
Design basis accident calculation problems
Sudden failures of the primary circuit is the design basis accident of pressurized water reactors, being liable to affect the other two barriers separating the fission products from the environment. The calculation of the thermohydraulic behavior of the core and primary circuit is at present based, for the CEA, on the RELAP 4 code. However a second-generation code, POSEIDON, is being developed by the CEA, EDF and FRAMATOME to obtain a better description of the physical phenomena and a better estimate of safety margins. Other difficult problems arise in connection with the calculation of structural stresses and the behavior of the vessel during decompression
Sparsifying preconditioner for soliton calculations
Lu, Jianfeng
2015-01-01
We develop a robust and efficient method for soliton calculations for nonlinear Schr\\"odinger equations. The method is based on the recently developed sparsifying preconditioner combined with Newton's iterative method. The performance of the method is demonstrated by numerical examples of gap solitons in the context of nonlinear optics.
Giavitto, Jean-Louis; Reichenmann, François
2012-01-01
Alan Turing a non seulement défini l'objet d'étude de l'informatique, le calcul, mais aussi révolutionné notre rapport aux machines. Il a fondé l'informatique comme un domaine scientifique autonome et a ouvert le chemin vers un nouveau continent à explorer et à habiter.
CALCULATION OF MAGNETIC OIL CLARIFIER
Puzik, S. O.; National Aviation University; Shevchuk, V. S.; National Aviation University; Baranivskiy, Y. O.; National Aviation University; Mykhailenko, O. O.; National Aviation University
2013-01-01
Technology of oil cleaning from iron-containing impurities that shows the feasibility of magnetic cleaners applying was investigated. Comparative analysis of the types of magnetic clarifier was carried out. Procedure of calculating the dimension type of oil clarifier, which makes it possible to obtain high purity grade oil, was offered.
Dead reckoning calculating without instruments
Doerfler, Ronald W
1993-01-01
No author has gone as far as Doerfler in covering methods of mental calculation beyond simple arithmetic. Even if you have no interest in competing with computers you'll learn a great deal about number theory and the art of efficient computer programming. -Martin Gardner
ITER Port Interspace Pressure Calculations
Carbajo, Juan J [ORNL; Van Hove, Walter A [ORNL
2016-01-01
The ITER Vacuum Vessel (VV) is equipped with 54 access ports. Each of these ports has an opening in the bioshield that communicates with a dedicated port cell. During Tokamak operation, the bioshield opening must be closed with a concrete plug to shield the radiation coming from the plasma. This port plug separates the port cell into a Port Interspace (between VV closure lid and Port Plug) on the inner side and the Port Cell on the outer side. This paper presents calculations of pressures and temperatures in the ITER (Ref. 1) Port Interspace after a double-ended guillotine break (DEGB) of a pipe of the Tokamak Cooling Water System (TCWS) with high temperature water. It is assumed that this DEGB occurs during the worst possible conditions, which are during water baking operation, with water at a temperature of 523 K (250 C) and at a pressure of 4.4 MPa. These conditions are more severe than during normal Tokamak operation, with the water at 398 K (125 C) and 2 MPa. Two computer codes are employed in these calculations: RELAP5-3D Version 4.2.1 (Ref. 2) to calculate the blowdown releases from the pipe break, and MELCOR, Version 1.8.6 (Ref. 3) to calculate the pressures and temperatures in the Port Interspace. A sensitivity study has been performed to optimize some flow areas.
On calculation of photoneutron yields
A simple analytical expression has been obtained for the photon track lengths in the region of nuclei giant resonance by summing the cross-sections of the bremsstrahlung from thin layers. The photoneutron yields from thick Cu and Pb targets calculated for verifying this expression are in a good agreement with the experimental results obtained by other authors
Professional Growth & Support Spending Calculator
Education Resource Strategies, 2013
2013-01-01
This "Professional Growth & Support Spending Calculator" helps school systems quantify all current spending aimed at improving teaching effectiveness. Part I provides worksheets to analyze total investment. Part II provides a system for evaluating investments based on purpose, target group, and delivery. In this Spending Calculator…
Sparsifying preconditioner for soliton calculations
Lu, Jianfeng; Ying, Lexing
2016-06-01
We develop a robust and efficient method for soliton calculations for nonlinear Schrödinger equations. The method is based on the recently developed sparsifying preconditioner combined with Newton's iterative method. The performance of the method is demonstrated by numerical examples of gap solitons in the context of nonlinear optics.
Relativistic multiple scattering Xα calculations
A one component relativistic theory has recently been developed and tested on isolated atoms and on molecules through the molecular scattered-wave formalism of Johnson, while its application to energy-band calculations (through a relativistic augmented-plane-wave program) has also been considered
Prenatal radiation exposure. Dose calculation
The unborn child requires special protection. In this context, the indication for an X-ray examination is to be checked critically. If thereupon radiation of the lower abdomen including the uterus cannot be avoided, the examination should be postponed until the end of pregnancy or alternative examination techniques should be considered. Under certain circumstances, either accidental or in unavoidable cases after a thorough risk assessment, radiation exposure of the unborn may take place. In some of these cases an expert radiation hygiene consultation may be required. This consultation should comprise the expected risks for the unborn while not perturbing the mother or the involved medical staff. For the risk assessment in case of an in-utero X-ray exposition deterministic damages with a defined threshold dose are distinguished from stochastic damages without a definable threshold dose. The occurrence of deterministic damages depends on the dose and the developmental stage of the unborn at the time of radiation. To calculate the risks of an in-utero radiation exposure a three-stage concept is commonly applied. Depending on the amount of radiation, the radiation dose is either estimated, roughly calculated using standard tables or, in critical cases, accurately calculated based on the individual event. The complexity of the calculation thereby increases from stage to stage. An estimation based on stage one is easily feasible whereas calculations based on stages two and especially three are more complex and often necessitate execution by specialists. This article demonstrates in detail the risks for the unborn child pertaining to its developmental phase and explains the three-stage concept as an evaluation scheme. It should be noted, that all risk estimations are subject to considerable uncertainties.
AGING FACILITY CRITICALITY SAFETY CALCULATIONS
The purpose of this design calculation is to revise and update the previous criticality calculation for the Aging Facility (documented in BSC 2004a). This design calculation will also demonstrate and ensure that the storage and aging operations to be performed in the Aging Facility meet the criticality safety design criteria in the ''Project Design Criteria Document'' (Doraswamy 2004, Section 4.9.2.2), and the functional nuclear criticality safety requirement described in the ''SNF Aging System Description Document'' (BSC [Bechtel SAIC Company] 2004f, p. 3-12). The scope of this design calculation covers the systems and processes for aging commercial spent nuclear fuel (SNF) and staging Department of Energy (DOE) SNF/High-Level Waste (HLW) prior to its placement in the final waste package (WP) (BSC 2004f, p. 1-1). Aging commercial SNF is a thermal management strategy, while staging DOE SNF/HLW will make loading of WPs more efficient (note that aging DOE SNF/HLW is not needed since these wastes are not expected to exceed the thermal limits form emplacement) (BSC 2004f, p. 1-2). The description of the changes in this revised document is as follows: (1) Include DOE SNF/HLW in addition to commercial SNF per the current ''SNF Aging System Description Document'' (BSC 2004f). (2) Update the evaluation of Category 1 and 2 event sequences for the Aging Facility as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004c, Section 7). (3) Further evaluate the design and criticality controls required for a storage/aging cask, referred to as MGR Site-specific Cask (MSC), to accommodate commercial fuel outside the content specification in the Certificate of Compliance for the existing NRC-certified storage casks. In addition, evaluate the design required for the MSC that will accommodate DOE SNF/HLW. This design calculation will achieve the objective of providing the criticality safety results to support the preliminary design of the Aging
Consolidated fuel decay heat calculations
Wittekind, W.D.
1994-06-24
The radiological decay heat generated from all irradiated fuel presently in K East (KE) and K West (KW) Basins was calculated in support of consolidated fuel storage. There are four sources of heat inflow into the fuel storage basins: (1) radiological decay heat from irradiated fuel; (2) mechanical heat from operating machinery (e.g., pumps); (3) heat flow from surroundings (mainly the ground through the concrete walls into the basin water if it is maintained below ambient); and (4) exothermic chemical reactions of uranium oxidation (although at basin temperatures this reaction rate is slow). This report details the radiological decay heat from irradiated fuel source in the K basins. Decay heat calculations using ORIGEN2 (Wittekind 1994 and Schmittroth 1993) for irradiated fuel presently (April 1994) in KE and KW Basins gave results for January 31 of each year.
CONTRIBUTION FOR MINING ATMOSPHERE CALCULATION
Franica Trojanović
1989-12-01
Full Text Available Humid air is an unavoidable feature of mining atmosphere, which plays a significant role in defining the climate conditions as well as permitted circumstances for normal mining work. Saturated humid air prevents heat conduction from the human body by means of evaporation. Consequently, it is of primary interest in the mining practice to establish the relative air humidity either by means of direct or indirect methods. Percentage of water in the surrounding air may be determined in various procedures including tables, diagrams or particular calculations, where each technique has its specific advantages and disadvantages. Classical calculation is done according to Sprung's formula, in which case partial steam pressure should also be taken from the steam table. The new method without the use of diagram or tables, established on the functional relation of pressure and temperature on saturated line, is presented here for the first time (the paper is published in Croatian.
Calculation of potassium critical temperature
The paper describes the algorithm of the functional prediction which is based on the selforganization of nonlinear algebraic models. The calculation procedure includes the module for the recognition of the dependence type hitch allows to restrict the number of choice of the prediction functions at the each step of the model building. The characteristic property of this algorithm is bootstrap method application as the external criteria of the selforganization. The calculation module is built using APL*PLUS and the user-friendly interface is implemented using Clipper 5.01 under Windows control. When using the algorithm and the programs, the critical point of potassium has been predicted on the base of the solubility curves of liquid and steam. 9 refs.; 1 fig.; 1 tab
Algorithm project weight calculation aircraft
Г. В. Абрамова
2013-07-01
Full Text Available The paper describes the process of a complex technical object design on the example of the aircraft, using information technology such as CAD/CAM/CAE-systems, presents the basic models of aircraft which are developed in the process of designing and reflect the different aspects of its structure and function. The idea of control parametric model at complex technical object design is entered, which is a set of initial data for the development of design stations and enables the optimal complex technical object control at all stages of design using modern computer technology. The paper discloses a process of weight design, which is associated with all stages of development aircraft and its production. Usage of a scheduling algorithm that allows to organize weight calculations are carried out at various stages of planning and weighing options to optimize the use of available database of formulas and methods of calculation
Calculations of the Wigner angle
Two new methods to determine Wigner's angle in special relativity are presented. The first one consists in calculating the angle between the compositions u-bar x ν-bar and ν-bar x u-bar of the two non-collinear velocities u-bar and ν-bar. In another method we introduce a generalization in the complex plane of Einstein's addition law of parallel velocities. (author)
Calculation of Hilbert Borcherds Products
Mayer, Sebastian
2010-01-01
In Brunier and Bundschuh, “On Borcherds Products Associated with Lattices of Prime Discriminant.” Ramanujan Journal 7 (2003), 49–61, the authors use Borcherds lifts to obtain Hilbert modular forms. Another approach is to calculate Hilbert modular forms using the Jacquet--Langlands correspondence, which was implemented by Lassina Dembele in "Magma". In Mayer, "Rings of Hilbert Modular Forms for the Fields $\\Q(\\sqrt{13})$ and $\\Q(\\sqrt{17})$,'' To appear, 2009, we use Brunier and...
Archimedes' calculations of square roots
Davies, E B
2011-01-01
We reconsider Archimedes' evaluations of several square roots in 'Measurement of a Circle'. We show that several methods proposed over the last century or so for his evaluations fail one or more criteria of plausibility. We also provide internal evidence that he probably used an interpolation technique. The conclusions are relevant to the precise calculations by which he obtained upper and lower bounds on pi.
Numerical calculation of Casimir forces
Kilen, Isak Ragnvald
2012-01-01
In this thesis a set of regularized boundary integral equation are introduced that can be used to calculate the Casimir force induced by a two dimensional scalar field. The boundary integral method is compared to the functional integral method and mode summation where possible. Comparisons are done for the case of two parallel plates, two concentric circles and two adjacent circles. The results indicate that the boundary integral method correctly predicts the geometry dependence of the C...
[IOL calculation for high ametropia].
Haigis, W
2008-11-01
Long and short eyes are connected with high ametropia and constitute special problems for biometry and IOL calculations. Ultrasound measurements on these eyes, which often have altered geometries, are frequently more difficult than in normal eyes. This holds especially for long eyes, which significantly benefit from optical biometry. Measurement errors, IOL manufacturing tolerances and uncertainties regarding the effective lens position affect short eyes much more than normal eyes. The selection of a suitable IOL formula is of special importance for the refractive outcome. For short eyes, Holladay-2, HofferQ and Haigis are recommended, for long eyes Holladay-1, Holladay-2 and Haigis. In each case, optimized IOL constants must be used. If minus lenses for extremely long eyes are calculated with the same constants as plus lenses, a hyperopic refractive error is created, which can be avoided by a separate set of constants for minus lenses. For extremely short eyes the commonly used approximation of thinner lenses fails necessitating a thick lens calculation or raytracing. PMID:18998145
Decay heat calculations for reactors
Estimation of release of energy (decay heat) over an extended period of time after termination of neutron induced fission is necessary for determining the heat removal requirements when the reactor is shutdown, and for fuel storage and transport facilities as well as for accident studies. The method of decay heat estimation relies on the measurements over practical time intervals as well as on calculation for predictions over very long time intervals. Neutron cross-sections, fission yields and decay data together with operational history are the basic inputs to such. A code used to calculate decay heat would require to generate isotopic inventory that would be present at the shutdown based on operational history of the reactor and follow up the decay over an extended period of time. Aspects of decay heat estimation based on standards like ANS 5.1 and by fuel cycle analysis codes shall be discussed. A Fuel Cycle Analysis Code, ADWITA (Activation, Decay, Waste Incineration and Transmutation Analysis) which can generate inventory based on irradiation history and calculate radioactivity and decay heat for extended period of cooling, has been written. The method and data involved in Fuel Cycle Analysis Code ADWITA and some results obtained shall also be presented. (author)
Parallel plasma fluid turbulence calculations
The study of plasma turbulence and transport is a complex problem of critical importance for fusion-relevant plasmas. To this day, the fluid treatment of plasma dynamics is the best approach to realistic physics at the high resolution required for certain experimentally relevant calculations. Core and edge turbulence in a magnetic fusion device have been modeled using state-of-the-art, nonlinear, three-dimensional, initial-value fluid and gyrofluid codes. Parallel implementation of these models on diverse platforms--vector parallel (National Energy Research Supercomputer Center's CRAY Y-MP C90), massively parallel (Intel Paragon XP/S 35), and serial parallel (clusters of high-performance workstations using the Parallel Virtual Machine protocol)--offers a variety of paths to high resolution and significant improvements in real-time efficiency, each with its own advantages. The largest and most efficient calculations have been performed at the 200 Mword memory limit on the C90 in dedicated mode, where an overlap of 12 to 13 out of a maximum of 16 processors has been achieved with a gyrofluid model of core fluctuations. The richness of the physics captured by these calculations is commensurate with the increased resolution and efficiency and is limited only by the ingenuity brought to the analysis of the massive amounts of data generated
Calculation of groundwater travel time
Pre-waste-emplacement groundwater travel time is one indicator of the isolation capability of the geologic system surrounding a repository. Two distinct modeling approaches exist for prediction of groundwater flow paths and travel times from the repository location to the designated accessible environment boundary. These two approaches are: (1) the deterministic approach which calculates a single value prediction of groundwater travel time based on average values for input parameters and (2) the stochastic approach which yields a distribution of possible groundwater travel times as a function of the nature and magnitude of uncertainties in the model inputs. The purposes of this report are to (1) document the theoretical (i.e., mathematical) basis used to calculate groundwater pathlines and travel times in a basalt system, (2) outline limitations and ranges of applicability of the deterministic modeling approach, and (3) explain the motivation for the use of the stochastic modeling approach currently being used to predict groundwater pathlines and travel times for the Hanford Site. Example calculations of groundwater travel times are presented to highlight and compare the differences between the deterministic and stochastic modeling approaches. 28 refs
Calculations for electron-impact excitation and ionization of beryllium
Zatsarinny, Oleg; Fursa, Dmitry V; Bray, Igor
2016-01-01
The B-spline R-matrix and the convergent close-coupling methods are used to study electron collisions with neutral beryllium over an energy range from threshold to 100 eV. Coupling to the target continuum significantly affects the results for transitions from the ground state, but to a lesser extent the strong transitions between excited states. Cross sections are presented for selected transitions between low-lying physical bound states of beryllium, as well as for elastic scattering, momentum transfer, and ionization. The present cross sections for transitions from the ground state from the two methods are in excellent agreement with each other, and also with other available results based on nonperturbative convergent pseudo-state and time-dependent close-coupling models. The elastic cross section at low energies is dominated by a prominent shape resonance. The ionization from the $(2s2p)^3P$ and $(2s2p)^1P$ states strongly depends on the respective term. The current predictions represent an extensive set o...
AGING FACILITY CRITICALITY SAFETY CALCULATIONS
C.E. Sanders
2004-09-10
The purpose of this design calculation is to revise and update the previous criticality calculation for the Aging Facility (documented in BSC 2004a). This design calculation will also demonstrate and ensure that the storage and aging operations to be performed in the Aging Facility meet the criticality safety design criteria in the ''Project Design Criteria Document'' (Doraswamy 2004, Section 4.9.2.2), and the functional nuclear criticality safety requirement described in the ''SNF Aging System Description Document'' (BSC [Bechtel SAIC Company] 2004f, p. 3-12). The scope of this design calculation covers the systems and processes for aging commercial spent nuclear fuel (SNF) and staging Department of Energy (DOE) SNF/High-Level Waste (HLW) prior to its placement in the final waste package (WP) (BSC 2004f, p. 1-1). Aging commercial SNF is a thermal management strategy, while staging DOE SNF/HLW will make loading of WPs more efficient (note that aging DOE SNF/HLW is not needed since these wastes are not expected to exceed the thermal limits form emplacement) (BSC 2004f, p. 1-2). The description of the changes in this revised document is as follows: (1) Include DOE SNF/HLW in addition to commercial SNF per the current ''SNF Aging System Description Document'' (BSC 2004f). (2) Update the evaluation of Category 1 and 2 event sequences for the Aging Facility as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004c, Section 7). (3) Further evaluate the design and criticality controls required for a storage/aging cask, referred to as MGR Site-specific Cask (MSC), to accommodate commercial fuel outside the content specification in the Certificate of Compliance for the existing NRC-certified storage casks. In addition, evaluate the design required for the MSC that will accommodate DOE SNF/HLW. This design calculation will achieve the objective of providing the
Calculation of Thermal Scattering Kernels
A long-standing programme at General Atomic has been the development of physical models to describe the scattering of slow neutrons from the various moderators and the numerical methods necessary for the computation of thermal neutron cross-sections and scattering kernels. This paper contains a review of the recent developments and improvements in the scattering descriptions and subsequent kernels for the moderators Be, C, H2O, D2O, CH2, H2 and D2. In particular for the moderators Be and C accurate phonon spectra, obtained by the root sampling technique, are presented along with comparisons to demonstrate how well the scattering models can predict the results of cross-section and spectral measurements. While the treatment of H2O is essentially that of Nelkin, curves of calculated and experimental neutron spectra are shown, which demonstrate that the inclusion of anisotropic effects for the molecular vibrations improve the agreement between theory and experiment. Following Butler's description of neutron scattering by D2O, a scattering kernel has been obtained which predicts quite accurately integral quantities such as neutron spectra and angular as well as total scattering cross-sections. An interesting result of the curves shown is that the inter- and intramolecular interference effects tend to cancel so that an incoherent approximation is quite adequate to calculate neutron spectra in D2O for the case of infinite media or weakly space-dependent problems. By utilizing the treatment by Lin and Koenig of the vibrational modes of infinite CH2 chains, a scattering kernel has been obtained which results in very good agreement between the predicted and experimental total cross-section and neutron spectra. Curves are presented to demonstrate this agreement between theory and experiment. Neutron spectra have been calculated for liquid hydrogen at boiling using a very accurate scattering description. These spectra are shown in the paper to be very sensitive both to
Calculation of gas turbine characteristic
Mamaev, B. I.; Murashko, V. L.
2016-04-01
The reasons and regularities of vapor flow and turbine parameter variation depending on the total pressure drop rate π* and rotor rotation frequency n are studied, as exemplified by a two-stage compressor turbine of a power-generating gas turbine installation. The turbine characteristic is calculated in a wide range of mode parameters using the method in which analytical dependences provide high accuracy for the calculated flow output angle and different types of gas dynamic losses are determined with account of the influence of blade row geometry, blade surface roughness, angles, compressibility, Reynolds number, and flow turbulence. The method provides satisfactory agreement of results of calculation and turbine testing. In the design mode, the operation conditions for the blade rows are favorable, the flow output velocities are close to the optimal ones, the angles of incidence are small, and the flow "choking" modes (with respect to consumption) in the rows are absent. High performance and a nearly axial flow behind the turbine are obtained. Reduction of the rotor rotation frequency and variation of the pressure drop change the flow parameters, the parameters of the stages and the turbine, as well as the form of the characteristic. In particular, for decreased n, nonmonotonic variation of the second stage reactivity with increasing π* is observed. It is demonstrated that the turbine characteristic is mainly determined by the influence of the angles of incidence and the velocity at the output of the rows on the losses and the flow output angle. The account of the growing flow output angle due to the positive angle of incidence for decreased rotation frequencies results in a considerable change of the characteristic: poorer performance, redistribution of the pressure drop at the stages, and change of reactivities, growth of the turbine capacity, and change of the angle and flow velocity behind the turbine.
Calculational Tool for Skin Contamination Dose Assessment
Hill, R L
2002-01-01
Spreadsheet calculational tool was developed to automate the calculations preformed for dose assessment of skin contamination. This document reports on the design and testing of the spreadsheet calculational tool.
Calculation of sound propagation in fibrous materials
Tarnow, Viggo
Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements....
Atomic physics: computer calculations and theoretical analysis
Drukarev, E. G.
2004-01-01
It is demonstrated, how the theoretical analysis preceding the numerical calculations helps to calculate the energy of the ground state of helium atom, and enables to avoid qualitative errors in the calculations of the characteristics of the double photoionization.
Electronics reliability calculation and design
Dummer, Geoffrey W A; Hiller, N
1966-01-01
Electronics Reliability-Calculation and Design provides an introduction to the fundamental concepts of reliability. The increasing complexity of electronic equipment has made problems in designing and manufacturing a reliable product more and more difficult. Specific techniques have been developed that enable designers to integrate reliability into their products, and reliability has become a science in its own right. The book begins with a discussion of basic mathematical and statistical concepts, including arithmetic mean, frequency distribution, median and mode, scatter or dispersion of mea
The Dental Trauma Internet Calculator
Gerds, Thomas Alexander; Lauridsen, Eva Fejerskov; Christensen, Søren Steno Ahrensburg;
2012-01-01
Background/Aim Prediction tools are increasingly used to inform patients about the future dental health outcome. Advanced statistical methods are required to arrive at unbiased predictions based on follow-up studies. Material and Methods The Internet risk calculator at the Dental Trauma Guide...... provides prognoses for teeth with traumatic injuries based on the Copenhagen trauma database: http://www.dentaltraumaguide.org The database includes 2191 traumatized permanent teeth from 1282 patients that were treated at the dental trauma unit at the University Hospital in Copenhagen (Denmark...
Three-dimensional cavity calculations
The existence of a code that solves for the resonant electromagnetic modes of oscillation in arbitrarily-shaped three-dimensional cavities opens new possibilities in rf-structure analysis and research. The URMEL-3D code, the product of a multi-year collaboration between DESY, KFA-Juelich, and Los Alamos, has been used in some exploratory studies to determine the feasibility of using a 3-D code to calculate the properties of several practical rf structures. The results are reported here for three cases: the jungle gym, two coupled cavities, and a waveguide-cavity coupling problem
Optimization calculations at TR-2
Full text: The main objective of the optimization calculations at TR-2 is to increase the radioisotope production (Tc-99m, I-131). Irradiation time and location were optimized separately. A second objective of this study is to obtain similar activities in the irradiated samples irrespective of the irradiation positions. This study also includes the maximization of the discharge burnup levels of the HEU elements in a mixed HEU-LEU core, so both safe and economical usage of the reactor is attained. Five group structure is used for the burnup dependent cross-section libraries that are generated by EPRI-CELL code. The RABANL integral transport option of MC2-2 code was used to accurately account for the resonance self-shielding of U-238. Transport corrected effective cross sections were used for the control rod regions. The data for Mo, Tc and Te isotopes were not available in this library, so new data were generated using GGC-4 and ANISN codes. In order to have a better understanding of the neutronic interactions, especially in the epithermal energy range, 9 group structure for the cross-section libraries of all the isotopes in the core have been generated with the fore mentioned codes. 2D diffusion-depletion code GEREBUS is used for the reactivity and burnup calculations. The 9 group calculations gave higher activity values then 5 group results, but the relative variations between different core positions remained the same, as could be expected. Many new core designs and various irradiation positions have been investigated for the above mentioned purposes. The reactor core was designed as compact as possible, in order to have higher fluxes for the irradiation samples. New graphite and Be reflectors have been added to the periphery of the core to enhance the reactivity and the discharge burnup levels. The water boxes which are used for the irradiation purposes have been moved from periphery to the inside of the reactor core. These modifications have yielded higher
Calculation of transonic aileron buzz
Steger, J. L.; Bailey, H. E.
1979-01-01
An implicit finite-difference computer code that uses a two-layer algebraic eddy viscosity model and exact geometric specification of the airfoil has been used to simulate transonic aileron buzz. The calculated results, which were performed on both the Illiac IV parallel computer processor and the Control Data 7600 computer, are in essential agreement with the original expository wind-tunnel data taken in the Ames 16-Foot Wind Tunnel just after World War II. These results and a description of the pertinent numerical techniques are included.
Rate calculation with colored noise
Bartsch, Thomas; Benito, R M; Borondo, F
2016-01-01
The usual identification of reactive trajectories for the calculation of reaction rates requires very time-consuming simulations, particularly if the environment presents memory effects. In this paper, we develop a new method that permits the identification of reactive trajectories in a system under the action of a stochastic colored driving. This method is based on the perturbative computation of the invariant structures that act as separatrices for reactivity. Furthermore, using this perturbative scheme, we have obtained a formally exact expression for the reaction rate in multidimensional systems coupled to colored noisy environments.
Perturbation calculations with Wilson loop
We present perturbative calculations with the Wilson loop (WL). The dimensional regularization method is used with a special attention concerning to the problem of divergences in the WL expansion in second and fourth orders, in three and four dimensions. We show that the residue in the pole, in 4d, of the fourth order graphs contribution sum is important for the charge renormalization. We compute up to second order the exact expression of the WL, in three-dimensional gauge theories with topological mass as well as its assimptotic behaviour for small and large distances. the author
Digital calculations of engine cycles
Starkman, E S; Taylor, C Fayette
1964-01-01
Digital Calculations of Engine Cycles is a collection of seven papers which were presented before technical meetings of the Society of Automotive Engineers during 1962 and 1963. The papers cover the spectrum of the subject of engine cycle events, ranging from an examination of composition and properties of the working fluid to simulation of the pressure-time events in the combustion chamber. The volume has been organized to present the material in a logical sequence. The first two chapters are concerned with the equilibrium states of the working fluid. These include the concentrations of var
The "intelligence" of calendrical calculators.
Young, R L; Nettelbeck, T
1994-09-01
Strategies of 4 men (WAIS-R range 65 to 76) when making calendar calculations were investigated. Each subject completed a battery of standardized psychological tests. Results suggested that subjects were aware of rules and regularities associated with the calendar, including knowledge of the 14 different calendar templates, one of which describes any calendar year. Their strategies were rigidly applied and could not be modified easily, even when doing so would have facilitated performance. The involvement of practice, memory, anchor dates, eidetic imagery, and mathematical algorithms were discussed. We concluded that these savants relied heavily on memory, with little manipulation of cognitive input, as opposed to transforming stimuli. PMID:7803035
Calculation of sound propagation in fibrous materials
Tarnow, Viggo
1996-01-01
Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements.......Calculations of attenuation and velocity of audible sound waves in glass wools are presented. The calculations use only the diameters of fibres and the mass density of glass wools as parameters. The calculations are compared with measurements....
Light Pipe Energy Savings Calculator
Owens, Erin; Behringer, Ernest R.
2009-04-01
Dependence on fossil fuels is unsustainable and therefore a shift to renewable energy sources such as sunlight is required. Light pipes provide a way to utilize sunlight for interior lighting, and can reduce the need for fossil fuel-generated electrical energy. Because consumers considering light pipe installation may be more strongly motivated by cost considerations than by sustainability arguments, an easy means to examine the corresponding costs and benefits is needed to facilitate informed decision-making. The purpose of this American Physical Society Physics and Society Fellowship project is to create a Web-based calculator to allow users to quantify the possible cost savings for their specific light pipe application. Initial calculations show that the illumination provided by light pipes can replace electric light use during the day, and in many cases can supply greater illumination levels than those typically given by electric lighting. While the installation cost of a light pipe is significantly greater than the avoided cost of electricity over the lifetime of the light pipe at current prices, savings may be realized if electricity prices increase.
SR 97 - Radionuclide transport calculations
Lindgren, Maria [Kemakta Konsult AB, Stockholm (Sweden); Lindstroem, Fredrik [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)
1999-12-01
An essential component of a safety assessment is to calculate radionuclide release and dose consequences for different scenarios and cases. The SKB tools for such a quantitative assessment are used to calculate the maximum releases and doses for the hypothetical repository sites Aberg, Beberg and Ceberg for the initial canister defect scenario and also for the glacial melting case for Aberg. The reasonable cases, i.e. all parameters take reasonable values, results in maximum biosphere doses of 5x10{sup -8} Sv/yr for Aberg, 3x10{sup -8} Sv/yr for Beberg and 1x10{sup -8} Sv/yr for Ceberg for peat area. These doses lie significantly below 0.15 mSv/yr. (A dose of 0.15 mSv/yr for unit probability corresponds to the risk limit of 10{sup -5} per year for the most exposed individuals recommended in regulations.) The conclusion that the maximum risk would lie well below 10{sup -5} per year is also demonstrated by results from the probabilistic calculations, which directly assess the resulting risk by combining dose and probability estimates. The analyses indicate that the risk is 2x10{sup -5} Sv/yr for Aberg, 8x10{sup -7} Sv/yr for Beberg and 3x10{sup -8} Sv/yr for Ceberg. The analysis shows that the most important parameters in the near field are the number of defective canisters and the instant release fraction. The influence from varying one parameter never changes the doses as much as an order of magnitude. In the far field the most important uncertainties affecting release and retention are associated with permeability and connectivity of the fractures in the rock. These properties affect several parameters. Highly permeable and well connected fractures imply high groundwater fluxes and short groundwater travel times. Sparsely connected or highly variable fracture properties implies low flow wetted surface along migration paths. It should, however, be remembered that the far-field parameters have little importance if the near-field parameters take their reasonable
Langage C++ et calcul scientifique
Saramito, Pierre
2005-01-01
La simulation numérique est devenue essentielle dans de nombreux domaines tels que la mécanique des fluides et des solides, la météo, l'évolution du climat, la biologie ou les semi-conducteurs. Elle permet de comprendre, de prévoir, d'accéder là où les instruments de mesures s'arrêtent. Ce livre présente des méthodes performantes du calcul scientifique : matrices creuses, résolution efficace des grands systèmes linéaires, ainsi que de nombreuses applications à la résolution par éléments fini...
Fung, Jimmy [Los Alamos National Laboratory; Schofield, Sam [LLNL; Shashkov, Mikhail J. [Los Alamos National Laboratory
2012-06-25
We did not run with a 'cylindrically painted region'. However, we did compute two general variants of the original problem. Refinement studies where a single zone at each level of refinement contains the entire internal energy at t=0 or A 'finite' energy source which has the same physical dimensions as that for the 91 x 46 mesh, but consisting of increasing numbers of zones with refinement. Nominal mesh resolution: 91 x 46. Other mesh resolutions: 181 x 92 and 361 x 184. Note, not identical to the original specification. To maintain symmetry for the 'fixed' energy source, the mesh resolution was adjusted slightly. FLAG Lagrange or full (Eulerian) ALE was used with various options for each simulation. Observation - for either Lagrange or ALE, point or 'fixed' source, calculations converge on density and pressure with mesh resolution, but not energy, (not vorticity either).
On Calculation of Amplitudes in Quantum Electrodynamics
Karplyuk, Kostyantyn; Zhmudsky, Oleksandr
2012-01-01
A new method of calculation of amplitudes of different processes in quantum electrodynamics is proposed. The method does not use the Feynman technique of trace of product of matrices calculation. The method strongly simplifies calculation of cross sections for different processes. The effectiveness of the method is shown on the cross-section calculation of Coulomb scattering, Compton scattering and electron-positron annihilation.
We present a new three-dimensional potential energy surface (PES) for the NH(X3Σ−)–Ne van der Waals system, which explicitly takes into account the NH vibrational motion. Ab initio calculations of the NH–Ne PES were carried out using the open-shell single- and double-excitation coupled cluster approach with non-iterative perturbational treatment of triple excitations [RCCSD(T)]. The augmented correlation-consistent quadruple zeta (aug-cc-pVQZ) basis set was employed. Mid-bond functions were also included in order to improve the accuracy in the van der Waals well. Using this new PES, we have studied the collisional excitation of NH(X3Σ−) by Ne. Close-coupling calculations of the collisional excitation cross sections of the fine-structure levels of NH by Ne are performed for energies up to 3000 cm−1, which yield, after thermal average, rate coefficients up to 350 K. The propensity rules between fine-structure levels are reported, and it is found that F-conserving cross sections are larger than F-changing cross sections even if the propensity rules are not as strong as for the NH–He system. The calculated rate coefficients are compared with available experimental measurements at room temperature and a fairly good agreement is found between experimental and theoretical data, confirming the good quality of the scattering calculations and also the accuracy of the potential energy surface used in this work
Calculating system reliability with SRFYDO
Morzinski, Jerome [Los Alamos National Laboratory; Anderson - Cook, Christine M [Los Alamos National Laboratory; Klamann, Richard M [Los Alamos National Laboratory
2010-01-01
SRFYDO is a process for estimating reliability of complex systems. Using information from all applicable sources, including full-system (flight) data, component test data, and expert (engineering) judgment, SRFYDO produces reliability estimates and predictions. It is appropriate for series systems with possibly several versions of the system which share some common components. It models reliability as a function of age and up to 2 other lifecycle (usage) covariates. Initial output from its Exploratory Data Analysis mode consists of plots and numerical summaries so that the user can check data entry and model assumptions, and help determine a final form for the system model. The System Reliability mode runs a complete reliability calculation using Bayesian methodology. This mode produces results that estimate reliability at the component, sub-system, and system level. The results include estimates of uncertainty, and can predict reliability at some not-too-distant time in the future. This paper presents an overview of the underlying statistical model for the analysis, discusses model assumptions, and demonstrates usage of SRFYDO.