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)
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...
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.
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
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.
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
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.)
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
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)
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
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 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,...
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
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
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
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...
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
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...
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)
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
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)
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
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...
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.
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.
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
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
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
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
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)
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.
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.
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
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)
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
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
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
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 ...
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.
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)
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.
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
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.
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
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.
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-...
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.
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
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
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
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
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
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
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.
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.)
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)
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
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.
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
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)
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.
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....
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
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
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.
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
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
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
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.
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.
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…
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
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
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.
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.
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...
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...
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)
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.
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
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)
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
[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
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 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.
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
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.
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.
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
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
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
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
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).
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...
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.
RTU Comparison Calculator Enhancement Plan
Miller, James D.; Wang, Weimin; Katipamula, Srinivas
2014-03-31
Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.
Benchmark calculations for EGS5
In the past few years, EGS4 has undergone an extensive upgrade to EGS5, in particularly in the areas of low-energy electron physics, low-energy photon physics, PEGS cross section generation, and the coding from Mortran to Fortran programming. Benchmark calculations have been made to assure the accuracy, reliability and high quality of the EGS5 code system. This study reports three benchmark examples that show the successful upgrade from EGS4 to EGS5 based on the excellent agreements among EGS4, EGS5 and measurements. The first benchmark example is the 1969 Crannell Experiment to measure the three-dimensional distribution of energy deposition for 1-GeV electrons shower in water and aluminum tanks. The second example is the 1995 Compton-scattered spectra measurements for 20-40 keV, linearly polarized photon by Namito et. al., in KEK, which was a main part of the low-energy photon expansion work for both EGS4 and EGS5. The third example is the 1986 heterogeneity benchmark experiment by Shortt et. al., who used a monoenergetic 20-MeV electron beam to hit the front face of a water tank containing both air and aluminum cylinders and measured spatial depth dose distribution using a small solid-state detector. (author)
RTU Comparison Calculator Enhancement Plan
Miller, James D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Wang, Weimin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Katipamula, Srinivas [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
2015-07-01
Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.
Selfconsistent calculations for hyperdeformed nuclei
Molique, H.; Dobaczewski, J.; Dudek, J.; Luo, W.D. [Universite Louis Pasteur, Strasbourg (France)
1996-12-31
Properties of the hyperdeformed nuclei in the A {approximately} 170 mass range are re-examined using the self-consistent Hartree-Fock method with the SOP parametrization. A comparison with the previous predictions that were based on a non-selfconsistent approach is made. The existence of the {open_quotes}hyper-deformed shell closures{close_quotes} at the proton and neutron numbers Z=70 and N=100 and their very weak dependence on the rotational frequency is suggested; the corresponding single-particle energy gaps are predicted to play a role similar to that of the Z=66 and N=86 gaps in the super-deformed nuclei of the A {approximately} 150 mass range. Selfconsistent calculations suggest also that the A {approximately} 170 hyperdeformed structures have neglegible mass asymmetry in their shapes. Very importantly for the experimental studies, both the fission barriers and the {open_quotes}inner{close_quotes} barriers (that separate the hyperdeformed structures from those with smaller deformations) are predicted to be relatively high, up to the factor of {approximately}2 higher than the corresponding ones in the {sup 152}Dy superdeformed nucleus used as a reference.
Cross sections and polarization of impact radiation have been calculated for the excitation of Be+(2s) and Mg+(3s) ions in collisions with ground-state He and Ne atom targets in the energy range E/sub cm/ = 0.5--100 keV. Each ion-atom pair has been treated as a quasi-one-electron three-particle system consisting of the valence electron of the ion, the closed-shell ion core, and the closed-shell rare-gas atom. The interactions among these three have been represented by model potentials. Charge transfer and excitation of the rare-gas target atoms are neglected. We have obtained three- and seven-state (in the case of Mg+) close-coupling solutions to the impact-parameter equations, assuming a rectilinear trajectory for the motion of the two heavy particles. Comparisons are made of theoretical predictions based on two Bottcher-type model potential (V/sub B/1 and V/sub B/2) and the simple Hartree-Fock frozen-core potentials (V/sub HF/) for the electron--rare-gas interaction. The predictions based on V/sub HF/ agree better with experimental results than do those based on V/sub B/1 or V/sub B/2, especially in the case of Be+-Mg+--He collisions
Calculation of electron scattering on atoms and ions
Bray, I.
1995-02-01
This paper reviews the applications of the convergent close-coupling (CCC) method to electron scattering on light atoms and ions. Particular emphasis is given to those areas where other theories have difficulty, e g. total ionization cross sections and the associated spin asymmetries. It begins with the simplest application to the Temkin-Poet model problem of electron-hydrogen scattering, which is used to validate the CCC approach. Subsequently, results are given for electron impact ionization of various initial states of the targets H(1s,2s), He(1{sup 1}S,2{sup 3.1}S), He{sup +}(1s), Li(2s), O{sup 5+}(2s) and Na(3s). 50 refs., 10 figs.
Calculation of electron scattering on atoms and ions
This paper reviews the applications of the convergent close-coupling (CCC) method to electron scattering on light atoms and ions. Particular emphasis is given to those areas where other theories have difficulty, e g. total ionization cross sections and the associated spin asymmetries. It begins with the simplest application to the Temkin-Poet model problem of electron-hydrogen scattering, which is used to validate the CCC approach. Subsequently, results are given for electron impact ionization of various initial states of the targets H(1s,2s), He(11S,23.1S), He+(1s), Li(2s), O5+(2s) and Na(3s). 50 refs., 10 figs
Calculation Methods for Wallenius’ Noncentral Hypergeometric Distribution
Fog, Agner
2008-01-01
conditional distribution of independent binomial variates given their sum. No reliable calculation method for Wallenius' noncentral hypergeometric distribution has hitherto been described in the literature. Several new methods for calculating probabilities from Wallenius' noncentral hypergeometric...
76 FR 71431 - Civil Penalty Calculation Methodology
2011-11-17
... TRANSPORTATION Federal Motor Carrier Safety Administration Civil Penalty Calculation Methodology AGENCY: Federal... its civil penalty methodology. Part of this evaluation includes a forthcoming explanation of the Uniform Fine Assessment (UFA) algorithm, which FMCSA currently uses for calculation of civil...
Dynamics Calculation of Travel Wave Tube
无
2011-01-01
During the dynamics calculating of the travel tube, we must obtain the field map in the tube. The field map can be affected by not only the beam loading, but also the attenuation coefficient. The calculation of the attenuation coefficient
A New Approach for Calculating Vacuum Susceptibility
宗红石; 平加伦; 顾建中
2004-01-01
Based on the Dyson-Schwinger approach, we propose a new method for calculating vacuum susceptibilities. As an example, the vector vacuum susceptibility is calculated. A comparison with the results of the previous approaches is presented.
Carbon cycle modeling calculations for the IPCC
We carried out essentially all the carbon cycle modeling calculations that were required by the IPCC Working Group 1. Specifically, IPCC required two types of calculations, namely, ''inverse calculations'' (input was CO2 concentrations and the output was CO2 emissions), and the ''forward calculations'' (input was CO2 emissions and output was CO2 concentrations). In particular, we have derived carbon dioxide concentrations and/or emissions for several scenarios using our coupled climate-carbon cycle modelling system
Lattice Dynamics Calculation in MGB2
In Present report, We have introduced a new theoretical results for MgB2 by using home design programme Lattice Dynamics. we have calculated partial and total density of states (PDOS, TDOS), infrared and Raman spectrums and specific heat capacity. Dispersion curves in different symmetry points are calculated and found that there is agreement with other calculations. Also we have tried to investigate the Boron Isotope effect on the calculated properties
CORRECTED CALCULATION OF HORIZONTAL GATING SYSTEMS
I. A. Zayatz
2015-05-01
Full Text Available In the course of fulfillment of work the specified calculations of horizontal gating systems for various parts produced in dispensable molds were carried out. The results of work showed that the weight removal value in gating systems fluctuates in big intervals and the specified calculation of horizontal gating systems enables to calculate precisely their weight that allows to calculate quantity of metal in metal charge.
Final disposal room structural response calculations
Finite element calculations have been performed to determine the structural response of waste-filled disposal rooms at the WIPP for a period of 10,000 years after emplacement of the waste. The calculations were performed to generate the porosity surface data for the final set of compliance calculations. The most recent reference data for the stratigraphy, waste characterization, gas generation potential, and nonlinear material response have been brought together for this final set of calculations
Expeller performance has been formulated in terms of its capability to create suction pressure at the throat. This formulation has been used to assess the effectiveness of evacuating combustible gases from a pipeline section from one end using dual expellers mounted in parallel on two adjacent blow-down stacks. A general formulation was derived to address any situation of asymmetry in the stack resistance, asymmetry in the expellers' power as well overall pipeline resistance to suction flow. Solutions of the closed-form equations were obtained and presented on performance graphs showing the ratio of the suction flow using dual expellers to that using either one in a single mode. It was found that there are conditions at which expelling with dual expellers exceed that of either expeller operating alone. It was also shown that when asymmetric expellers are used, where one expeller is more powerful than the other, the benefits of using two expellers is realized up to a limiting degree of asymmetry, beyond which the weaker expeller could be stalled and then reverse flow
Comolli, A.G.; Johanson, E.S.; Panvelker, S.V.; Popper, G.A.; Stalzer, R.H.
1991-10-01
The overall purpose of the program is to achieve higher yields of better quality transportation and turbine fuels and to lower the capital and production costs in order to make the products from direct coal liquefaction competitive with other fossil fuel products.
Two-stage, close coupled catalytic liquefaction of coal. [Catalysts: FeOOH and NiMo
Comolli, A.G.; Johanson, E.S.; Panvelker, S.V.; Popper, G.A.; Stalzer, R.H.
1991-10-01
The overall purpose of the program is to achieve higher yields of better quality transportation and turbine fuels and to lower the capital and production costs in order to make the products from direct coal liquefaction competitive with other fossil fuel products.
Thermohydraulic calculation of WWER-type NPP
Technique of thermohydraulic calculation of the WWER-type NPP in unsteady processes is described. Effective algorithm for solving hydrodynamics equations without regard for acoustic effects permitting to use enough large time integration step is given. Calculation of two-dimensional temperature fields in fuel element is considered. Method for calculating a pressurizer, steam generators and pumps is described as well
Quantum Transport Calculations Using Periodic Boundary Conditions
Wang, Lin-Wang
2004-01-01
An efficient new method is presented to calculate the quantum transports using periodic boundary conditions. This method allows the use of conventional ground state ab initio programs without big changes. The computational effort is only a few times of a normal ground state calculations, thus is makes accurate quantum transport calculations for large systems possible.
47 CFR 1.1623 - Probability calculation.
2010-10-01
... 47 Telecommunication 1 2010-10-01 2010-10-01 false Probability calculation. 1.1623 Section 1.1623 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRACTICE AND PROCEDURE Random Selection Procedures for Mass Media Services General Procedures § 1.1623 Probability calculation. (a) All calculations shall...
10 CFR 766.102 - Calculation methodology.
2010-01-01
... 10 Energy 4 2010-01-01 2010-01-01 false Calculation methodology. 766.102 Section 766.102 Energy... ASSESSMENT OF DOMESTIC UTILITIES Procedures for Special Assessment § 766.102 Calculation methodology. (a) Calculation of Domestic Utilities' Annual Assessment Ratio to the Fund. Domestic utilities shall be...
7 CFR 760.1106 - Payment calculation.
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Payment calculation. 760.1106 Section 760.1106 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF... Payment calculation. (a) Preliminary, unadjusted LCP payments are calculated for a producer by...
7 CFR 1416.104 - Payment calculation.
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Payment calculation. 1416.104 Section 1416.104 Agriculture Regulations of the Department of Agriculture (Continued) COMMODITY CREDIT CORPORATION, DEPARTMENT... PROGRAMS Livestock Compensation Program § 1416.104 Payment calculation. (a) LCP payments are calculated...
7 CFR 1416.504 - Payment calculation.
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Payment calculation. 1416.504 Section 1416.504 Agriculture Regulations of the Department of Agriculture (Continued) COMMODITY CREDIT CORPORATION, DEPARTMENT... PROGRAMS Tropical Fruit Disaster Program § 1416.504 Payment calculation. (a) Payments are calculated...
Three-dimensional rf structure calculations
The calculation of three-dimensional rf structures is rapidly approaching adolescence, after having been in its infancy for the last four years. This paper will show the kinds of calculations that are currently being performed in the frequency domain and is a companion paper to one in which time-domain calculations are described. 13 refs., 14 figs
40 CFR 89.207 - Credit calculation.
2010-07-01
... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Credit calculation. 89.207 Section 89... Trading Provisions § 89.207 Credit calculation. (a) Requirements for calculating NO X credits from Tier 1 engines rated at or above 37 kW. (1) For each participating engine family, emission credits (positive...
Two-dimensional sensitivity calculation code: SENSETWO
A SENSETWO code for the calculation of cross section sensitivities with a two-dimensional model has been developed, on the basis of first order perturbation theory. It uses forward neutron and/or gamma-ray fluxes and adjoint fluxes obtained by two-dimensional discrete ordinates code TWOTRAN-II. The data and informations of cross sections, geometry, nuclide density, response functions, etc. are transmitted to SENSETWO by the dump magnetic tape made in TWOTRAN calculations. The required input for SENSETWO calculations is thus very simple. The SENSETWO yields as printed output the cross section sensitivities for each coarse mesh zone and for each energy group, as well as the plotted output of sensitivity profiles specified by the input. A special feature of the code is that it also calculates the reaction rate with the response function used as the adjoint source in TWOTRAN adjoint calculation and the calculated forward flux from the TWOTRAN forward calculation. (author)
For elastic scattering and electron impact excitation of the 4p5s states in Kr, we present independently normalized, absolute angle-differential cross sections over the entire angular range (0° − 180°). Excellent agreement is obtained between the present experimental data and theoretical predictions from a fully relativistic B-spline R-matrix (close-coupling) model.
Microscopic Calculations of 240Pu Fission
Younes, W; Gogny, D
2007-09-11
Hartree-Fock-Bogoliubov calculations have been performed with the Gogny finite-range effective interaction for {sup 240}Pu out to scission, using a new code developed at LLNL. A first set of calculations was performed with constrained quadrupole moment along the path of most probable fission, assuming axial symmetry but allowing for the spontaneous breaking of reflection symmetry of the nucleus. At a quadrupole moment of 345 b, the nucleus was found to spontaneously scission into two fragments. A second set of calculations, with all nuclear moments up to hexadecapole constrained, was performed to approach the scission configuration in a controlled manner. Calculated energies, moments, and representative plots of the total nuclear density are shown. The present calculations serve as a proof-of-principle, a blueprint, and starting-point solutions for a planned series of more comprehensive calculations to map out a large set of scission configurations, and the associated fission-fragment properties.
Argosy 4 - A programme for lattice calculations
This report contains a detailed description of the methods of calculation used in the Argosy 4 computer programme, and of the input requirements and printed results produced by the programme. An outline of the physics of the Argosy method is given. Section 2 describes the lattice calculation, including the burn up calculation, section 3 describes the control rod calculation and section 4 the reflector calculation. In these sections the detailed equations solved by the programme are given. In section 5 input requirements are given, and in section 6 the printed output obtained from an Argosy calculation is described. In section 7 are noted the principal differences between Argosy 4 and earlier versions of the Argosy programme
Methodology of shielding calculation for nuclear reactors
A methodology of calculation that coupling a serie of computer codes in a net that make the possibility to calculate the radiation, neutron and gamma transport, is described, for deep penetration problems, typical of nuclear reactor shielding. This net of calculation begining with the generation of constant multigroups, for neutrons and gamma, by the AMPX system, coupled to ENDF/B-IV data library, the transport calculation of these radiations by ANISN, DOT 3.5 and Morse computer codes, up to the calculation of absorbed doses and/or equivalents buy SPACETRAN code. As examples of the calculation method, results from benchmark n0 6 of Shielding Benchmark Problems - ORNL - RSIC - 25, namely Neutron and Secondary Gamma Ray fluence transmitted through a Slab of Borated Polyethylene, are presented. (Author)
GPU-based calculations in digital holography
Madrigal, R.; Acebal, P.; Blaya, S.; Carretero, L.; Fimia, A.; Serrano, F.
2013-05-01
In this work we are going to apply GPU (Graphical Processing Units) with CUDA environment for scientific calculations, concretely high cost computations on the field of digital holography. For this, we have studied three typical problems in digital holography such as Fourier transforms, Fresnel reconstruction of the hologram and the calculation of vectorial diffraction integral. In all cases the runtime at different image size and the corresponding accuracy were compared to the obtained by traditional calculation systems. The programs have been carried out on a computer with a graphic card of last generation, Nvidia GTX 680, which is optimized for integer calculations. As a result a large reduction of runtime has been obtained which allows a significant improvement. Concretely, 15 fold shorter times for Fresnel approximation calculations and 600 times for the vectorial diffraction integral. These initial results, open the possibility for applying such kind of calculations in real time digital holography.
Some Calculations for Cold Fusion Superheavy Elements
X. H. Zhong; Li, L.; Ning, P. Z.
2004-01-01
The Q value and optimal exciting energy of the hypothetical superheavy nuclei in cold fusion reaction are calculated with relativistic mean field model and semiemperical shell model mass equation(SSME) and the validity of the two models is tested. The fusion barriers are also calculated with two different models and reasonable results are obtained. The calculations can give useful references for the experiments in the superheavy nuclei synthesized in cold fusion reactions.
Reactor calculation benchmark PCA blind test results
Further improvement in calculational procedures or a combination of calculations and measurements is necessary to attain 10 to 15% (1 sigma) accuracy for neutron exposure parameters (flux greater than 0.1 MeV, flux greater than 1.0 MeV, and dpa). The calculational modeling of power reactors should be benchmarked in an actual LWR plant to provide final uncertainty estimates for end-of-life predictions and limitations for plant operations. 26 references, 14 figures, 6 tables
Comparison of methods for calculating water erosion
Svobodová, Pavlína
2011-01-01
Bachelor thesis presents a comparison of methods for calculating water erosion. The aim is to summarize available evidence concerning the problems of water erosion. There are presented some methods how to calculate average annual erosion of soils, and selected models for calculating the erosion immediately. There are also listed possible erosion control measures through which we can at least slow the effects of erosion, rather than stop completely.
Handbook for the calculation of reactor protections
This note constitutes the first edition of a Handbook for the calculation of reactor protections. This handbook makes it possible to calculate simply the different neutron and gamma fluxes and consequently, to fix the minimum quantities of materials necessary under general safety conditions both for the personnel and for the installations. It contains a certain amount of nuclear data, calculation methods, and constants corresponding to the present state of our knowledge. (authors)
First principles phonon calculations in materials science
Togo, Atsushi; Tanaka, Isao
2015-01-01
Phonon plays essential roles in dynamical behaviors and thermal properties, which are central topics in fundamental issues of materials science. The importance of first principles phonon calculations cannot be overly emphasized. Phonopy is an open source code for such calculations launched by the present authors, which has been world-widely used. Here we demonstrate phonon properties with fundamental equations and show examples how the phonon calculations are applied in materials science.
Dynamic calculations of pressurized water reactor internals
A mathematical model is briefly described for the calculation of oscillations in the WWER-440 reactor internals. The model was developed for improved safety of the type of reactors. It allows calculating vibrations resistance of reactor components, mainly during accidents, such as loss of coolant accidents. Some results are given of the calculation of forces acting in the rupture of the reactor inlet and outlet pipes. (Z.M.)
How to Calculate Sample Size and Why
Kim, Jeehyoung; Seo, Bong Soo
2013-01-01
Why Calculating the sample size is essential to reduce the cost of a study and to prove the hypothesis effectively. How Referring to pilot studies and previous research studies, we can choose a proper hypothesis and simplify the studies by using a website or Microsoft Excel sheet that contains formulas for calculating sample size in the beginning stage of the study. More There are numerous formulas for calculating the sample size for complicated statistics and studies, but most studies can us...
Benchmark calculations on simple reactor systems
The development of some calculation methods is described. Tests of these and other methods on benchmark problems are reported. The following items are treated: 1) Criticality of spheres and slabs for monoenergetic neutrons with Carlviks method. 2) High precision S sub (n) calculations on critical slabs. 3) Comparison of angular quadrature methods in S sub (n) calculations. 4) Tests of a standard ANISN program. 5) Presence of complex time eigenvalues in a fundamental problem. (Author)
Large scale calculations for hadron spectroscopy
The talk reviews some recent Monte Carlo calculations for Quantum Chromodynamics, performed on Euclidean lattices of rather large extent. Purpose of the calculations is to provide accurate determinations of quantities, such as interquark potentials or mass eigenvalues, which are relevant for hadronic spectroscopy. Results obtained in quenched QCD on 163 x 32 lattices are illustrated, and a discussion of computational resources and techniques required for the calculations is presented. 18 refs.,3 figs., 2 tabs
Calculation of plasma characteristics of the sun
Muhammad Abbas Bari; Zhong Jia-Yong; Chen Miu; Zhao Jing; Zhang Jie
2006-01-01
The ionization level and free electron density of most abundant elements (C, N, O, Mg, Al, Si, S, and Fe) in the sun are calculated from the centre of the sun to the surface of the photosphere. The model and computations are made under the assumption of local thermodynamic equilibrium (LTE). The Saha equation has been used to calculate the ionization level of elements and the electron density. Temperature values for calculations along the solar radius are taken from referebces.
Evaluating Energy Sector Investments: Calculating Volatility
Edson de Oliveira Pamplona
2013-01-01
Full Text Available A major task in assessing risks of investment projects is defining the approach to calculating the project’s volatility. Looking at assorted estimation techniques, this paper calculates their volatilities. The techniques originate from authors in the area and involve project-specific variables of uncertainty. These techniques are applied to a case of electricity distribution through real options. Results are then compared. The difference between the calculated volatilities was low, leaving, in the case of the project evaluated here, the decision unchanged. The paper’s contribution consists of providing a detailed presentation of calculating volatility by the methods cited and by comparing the results obtained by its application.
Pile Load Capacity – Calculation Methods
Wrana Bogumił
2015-12-01
Full Text Available The article is a review of the current problems of the foundation pile capacity calculations. The article considers the main principles of pile capacity calculations presented in Eurocode 7 and other methods with adequate explanations. Two main methods are presented: α – method used to calculate the short-term load capacity of piles in cohesive soils and β – method used to calculate the long-term load capacity of piles in both cohesive and cohesionless soils. Moreover, methods based on cone CPTu result are presented as well as the pile capacity problem based on static tests.
Surface Tension Calculation of Undercooled Alloys
无
2001-01-01
Based on the Butler equation and extrapolated thermodynamic data of undercooled alloys from those of liquid stable alloys, a method for surface tension calculation of undercooled alloys is proposed. The surface tensions of liquid stable and undercooled Ni-Cu (xNi=0.42) and Ni-Fe (xNi=0.3 and 0.7) alloys are calculated using STCBE (Surface Tension Calculation based on Butler Equation) program. The agreement between calculated values and experimental data is good enough, and the temperature dependence of the surface tension can be reasonable down to 150-200 K under the liquid temperature of the alloys.
Do young calendrical calculators improve with age?
O'Connor, N; Hermelin, B
1992-07-01
The calendrical calculation performance of two 10-year-old children of the same intelligence level (IQ 90) but different calendrical ability, was compared with the performance of eight adult idiot-savant calculators. The calculating speeds of the two 10-year olds fell within the range of the reaction times of the adult savants. No improvement was detectable in a series of successive trials over time, either in speed or accuracy. It is concluded that the young calculators have already inferred rules about calendrical structure and that their performance cannot be accounted for by practice alone, but these savants use cognitive strategies to aid their performance. PMID:1634593
Ajili, Yosra; Hammami, Kamel; Jaidane, Nejm Eddine; Lanza, Mathieu; Kalugina, Yulia N; Lique, François; Hochlaf, Majdi
2013-07-01
We closely compare the accuracy of multidimensional potential energy surfaces (PESs) generated by the recently developed explicitly correlated coupled cluster (CCSD(T)-F12) methods in connection with the cc-pVXZ-F12 (X = D, T) and aug-cc-pVTZ basis sets and those deduced using the well-established orbital-based coupled cluster techniques employing correlation consistent atomic basis sets (aug-cc-pVXZ, X = T, Q, 5) and extrapolated to the complete basis set (CBS) limit. This work is performed on the benchmark rare gas-hydrogen halide interaction (HCl-He) system. These PESs are then incorporated into quantum close-coupling scattering dynamical calculations in order to check the impact of the accuracy of the PES on the scattering calculations. For this system, we deduced inelastic collisional data including (de-)excitation collisional and pressure broadening cross sections. Our work shows that the CCSD(T)-F12/aug-cc-pVTZ PES describes correctly the repulsive wall, the van der Waals minimum and long range internuclear distances whereas cc-pVXZ-F12 (X = D,T) basis sets are not diffuse enough for that purposes. Interestingly, the collision cross sections deduced from the CCSD(T)-F12/aug-cc-pVTZ PES are in excellent agreement with those obtained with CCSD(T)/CBS methodology. The position of the resonances and the general shape of these cross sections almost coincide. Since the cost of the electronic structure computations is reduced by several orders of magnitude when using CCSD(T)-F12/aug-cc-pVTZ compared to CCSD(T)/CBS methodology, this approach can be recommended as an alternative for generation of PESs of molecular clusters and for the interpretation of accurate scattering experiments as well as for a wide production of collisional data to be included in astrophysical and atmospherical models. PMID:23443908
Calculated optical absorption of different perovskite phases
Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel
2015-01-01
We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden-Popper and Dion-Jacobson phases) with a bandgap in the visible part of the solar spectrum. The calculations show that for different classes...... are found in the classes of oxynitride and organometal halide perovskites with strong direct transitions....
ASME Code Calculations for the CC Cryostat
Luther, R.D.; /Fermilab
1987-11-04
This engineering note contains the ASHE Code calculations for the CC Cryostat prepared by the manufacturer, Richmond-Lox Equipment Company. Most of these were taken from calculations initially prepared by Fermilab personne1and pub1ished in Eng. Note 68.
Atomic Structure Calculations for Neutral Oxygen
Alonizan, Norah; Qindeel, Rabia; Ben Nessib, Nabil
2016-01-01
Energy levels and oscillator strengths for neutral oxygen have been calculated using the Cowan (CW), SUPERSTRUCTURE (SS), and AUTOSTRUCTURE (AS) atomic structure codes. The results obtained with these atomic codes have been compared with MCHF calculations and experimental values from the National Institute of Standards and Technology (NIST) database.
Stability Test for Transient-Temperature Calculations
Campbell, W.
1984-01-01
Graphical test helps assure numerical stability of calculations of transient temperature or diffusion in composite medium. Rectangular grid forms basis of two-dimensional finite-difference model for heat conduction or other diffusion like phenomena. Model enables calculation of transient heat transfer among up to four different materials that meet at grid point.
40 CFR 1065.650 - Emission calculations.
2010-07-01
... following sequence of preliminary calculations on recorded concentrations: (i) Correct all THC and CH4.... (iii) Calculate all THC and NMHC concentrations, including dilution air background concentrations, as... NMHC to background corrected mass of THC. If the background corrected mass of NMHC is greater than...
7 CFR 760.406 - Payment calculation.
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Payment calculation. 760.406 Section 760.406 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF... calculation. (a) Under this subpart, separate payment rates for eligible livestock owners and...
Nielsen, Claus Werner; Nielsen, Ole-Kenneth
2009-01-01
Many countries are in the process of mapping their national CO2 emissions, but only few have managed to produce an overall report at municipal level yet. Denmark, however, has succeeded in such a project. Using a new national IT-based calculation model, municipalities can calculate the extent of...
7 CFR 760.909 - Payment calculation.
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Payment calculation. 760.909 Section 760.909 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF... Payment calculation. (a) Under this subpart separate payment rates are established for eligible...
Calculated Atomic Volumes of the Actinide Metals
Skriver, H.; Andersen, O. K.; Johansson, B.
1979-01-01
The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium.......The equilibrium atomic volume is calculated for the actinide metals. It is possible to account for the localization of the 5f electrons taking place in americium....
7 CFR 1416.704 - Payment calculation.
2010-01-01
... 7 Agriculture 10 2010-01-01 2010-01-01 false Payment calculation. 1416.704 Section 1416.704 Agriculture Regulations of the Department of Agriculture (Continued) COMMODITY CREDIT CORPORATION, DEPARTMENT... PROGRAMS 2005 Hurricane Tree Assistance Program § 1416.704 Payment calculation. (a) An approved...
7 CFR 760.307 - Payment calculation.
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Payment calculation. 760.307 Section 760.307 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF... calculation. (a) An eligible livestock producer will be eligible to receive payments for grazing losses...
7 CFR 760.1203 - Payment calculation.
2010-01-01
... 7 Agriculture 7 2010-01-01 2010-01-01 false Payment calculation. 760.1203 Section 760.1203 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF... calculation. (a) Producers must be paid for feed losses of higher costs only for one of the three years,...
30 CFR 5.30 - Fee calculation.
2010-07-01
... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Fee calculation. 5.30 Section 5.30 Mineral Resources MINE SAFETY AND HEALTH ADMINISTRATION, DEPARTMENT OF LABOR TESTING, EVALUATION, AND APPROVAL OF MINING PRODUCTS FEES FOR TESTING, EVALUATION, AND APPROVAL OF MINING PRODUCTS § 5.30 Fee calculation....
47 CFR 65.306 - Calculation accuracy.
2010-10-01
... 47 Telecommunication 3 2010-10-01 2010-10-01 false Calculation accuracy. 65.306 Section 65.306 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES (CONTINUED) INTERSTATE RATE OF RETURN PRESCRIPTION PROCEDURES AND METHODOLOGIES Exchange Carriers § 65.306 Calculation...
Calculating the Greeks by Cubature formulas
Teichmann, Josef
2004-01-01
We provide cubature formulas for the calculation of derivatives of expected values in the spririt of Terry Lyons and Nicolas Victoir. In financial mathematics derivatives of option prices with respect to initial values, so called Greeks, are of particular importance as hedging parameters. Cubature formulas allow to calculate these quantities very quickly. Simple examples are added to the theoretical exposition.
Data base to compare calculations and observations
Meteorological and climatological data bases were compared with known tritium release points and diffusion calculations to determine if calculated concentrations could replace measure concentrations at the monitoring stations. Daily tritium concentrations were monitored at 8 stations and 16 possible receptors. Automated data retrieval strategies are listed
Investment Return Calculations and Senior School Mathematics
Fitzherbert, Richard M.; Pitt, David G. W.
2010-01-01
The methods for calculating returns on investments are taught to undergraduate level business students. In this paper, the authors demonstrate how such calculations are within the scope of senior school students of mathematics. In providing this demonstration the authors hope to give teachers and students alike an illustration of the power and the…
Hyperspherical calculations for four-nucleon systems
We develop hyperspherical calculations on the bound states of four-nucleon systems and particularly the fundamental level and the first 0+ excited states. With neglect of the Coulomb effect, we analyze the convergence of the optimal subset expansion for the binding energies calculated for central or realistic potentials. 35 refs
Statistics review 4: Sample size calculations
Whitley, Elise; Ball, Jonathan
2002-01-01
The present review introduces the notion of statistical power and the hazard of under-powered studies. The problem of how to calculate an ideal sample size is also discussed within the context of factors that affect power, and specific methods for the calculation of sample size are presented for two common scenarios, along with extensions to the simplest case.
Calculation of resonance integral for fuel cluster
The procedure for calculating the shielding correction, formulated in the previous paper [6], was broadened and applied for a cluster of cylindrical rods. The sam analytical method as in the previous paper was applied. A combination of Gauss method with the method of Almgren and Porn used for solving the same type of integral was used to calculate the geometry functions. CLUSTER code was written for ZUSE-Z-23 computer to calculate the shielding corrections for pairs of fuel rods in the cluster. Computing time for one pair of fuel rods depends on the number of closely placed rod, and for two closely placed rods it is about 3 hours. Calculations were done for clusters containing 7 and 19 UO2 rods. results show that calculated values of resonance integrals are somewhat higher than the values obtained by Helstrand empirical formula. Taking into account the results for two rods from the previous paper it can be noted that the calculated and empirical values for clusters with 2 and 7 rods are in agreement since the deviations do not exceed the limits of experimental error (±2%). In case of larger cluster with 19 rods deviations are higher than the experimental error. Most probably the calculated values exceed the experimental ones result from the fact that in this paper the shielding correction is calculated only in the region up to 1 keV
Direct calculation of wind turbine tip loss
Wood, D.H.; Okulov, Valery; Bhattacharjee, D.
2016-01-01
. We develop three methods for the direct calculation of the tip loss. The first is the computationally expensive calculation of the velocities induced by the helicoidal wake which requires the evaluation of infinite sums of products of Bessel functions. The second uses the asymptotic evaluation of...
Calculation of Temperature Rise in Calorimetry.
Canagaratna, Sebastian G.; Witt, Jerry
1988-01-01
Gives a simple but fuller account of the basis for accurately calculating temperature rise in calorimetry. Points out some misconceptions regarding these calculations. Describes two basic methods, the extrapolation to zero time and the equal area method. Discusses the theoretical basis of each and their underlying assumptions. (CW)
40 CFR 91.1307 - Credit calculation.
2010-07-01
... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Credit calculation. 91.1307 Section 91...) CONTROL OF EMISSIONS FROM MARINE SPARK-IGNITION ENGINES In-Use Credit Program for New Marine Engines § 91.1307 Credit calculation. For each participating engine family, emission credits (positive or...
Lewis Carroll's Formula for Calendar Calculating.
Spitz, Herman H.
1993-01-01
This paper presents Lewis Carroll's formula for mentally calculating the day of the week of a given date. The paper concludes that such formulas are too complex for individuals of low intelligence to learn by themselves, and thus "idiots savants" who perform such calendar calculations must be using other systems. (JDD)
Quantum Monte Carlo calculations of light nuclei
Quantum Monte Carlo calculations using realistic two- and three-nucleon interactions are presented for nuclei with up to eight nucleons. We have computed the ground and a few excited states of all such nuclei with Greens function Monte Carlo (GFMC) and all of the experimentally known excited states using variational Monte Carlo (VMC). The GFMC calculations show that for a given Hamiltonian, the VMC calculations of excitation spectra are reliable, but the VMC ground-state energies are significantly above the exact values. We find that the Hamiltonian we are using (which was developed based on 3H, 4He, and nuclear matter calculations) underpredicts the binding energy of p-shell nuclei. However our results for excitation spectra are very good and one can see both shell-model and collective spectra resulting from fundamental many-nucleon calculations. Possible improvements in the three-nucleon potential are also be discussed
Calculation of neutron kerma in tissues
Neutron kerma of normal and tumor tissues has been calculated using the tissues elemental concentration. A program developed in Math cad contains the kerma factors of C, H, O, N, Na, Mg, P, S, Cl, K, etc. that are in normal and tumor human tissues. Having the elemental composition of any human tissue the neutron kerma can be calculated. The program was tested using the elemental composition of tumor tissues such as sarcoma, melanoma, carcinoma and adenoid cystic, also neutron kerma for adipose and muscle tissue for normal adult was calculated. The results are in agreement with those published in literature. The neutron kerma for water was also calculated because in some dosimetric calculations water is used to describe normal and tumor tissues. From this comparison was found that at larger energies kerma factors are approximately the same, but energies less than 100 eV the differences are large. (Author)
Calculation of neutron kerma in tissues
Vega C, H.R.; Manzanares A, E. [Unidades Academicas de Estudios Nucleares, Ing. Electrica y Matematicas, Universidad Autonoma de Zacatecas, A.P. 336, 98000 Zacatecas (Mexico)]. E-mail: rvega@cantera.reduaz.mx
2004-07-01
Neutron kerma of normal and tumor tissues has been calculated using the tissues elemental concentration. A program developed in Math cad contains the kerma factors of C, H, O, N, Na, Mg, P, S, Cl, K, etc. that are in normal and tumor human tissues. Having the elemental composition of any human tissue the neutron kerma can be calculated. The program was tested using the elemental composition of tumor tissues such as sarcoma, melanoma, carcinoma and adenoid cystic, also neutron kerma for adipose and muscle tissue for normal adult was calculated. The results are in agreement with those published in literature. The neutron kerma for water was also calculated because in some dosimetric calculations water is used to describe normal and tumor tissues. From this comparison was found that at larger energies kerma factors are approximately the same, but energies less than 100 eV the differences are large. (Author)
Semantic Similarity Calculation of Chinese Word
Liqiang Pan
2014-08-01
Full Text Available This paper puts forward a two layers computing method to calculate semantic similarity of Chinese word. Firstly, using Latent Dirichlet Allocation (LDA subject model to generate subject spatial domain. Then mapping word into topic space and forming topic distribution which is used to calculate semantic similarity of word(the first layer computing. Finally, using semantic dictionary "HowNet" to deeply excavate semantic similarity of word (the second layer computing. This method not only overcomes the problem that it’s not specific enough merely using LDA to calculate semantic similarity of word, but also solves the problems such as new words (haven’t been added in dictionary and without considering specific context when calculating semantic similarity based on semantic dictionary "HowNet". By experimental comparison, this thesis proves feasibility,availability and advantages of the calculation method.
Tools for calculations in color space
Sjodahl, Malin
2013-01-01
Both the higher energy and the initial state colored partons contribute to making exact calculations in QCD color space more important at the LHC than at its predecessors. This is applicable whether the method of assessing QCD is fixed order calculation, resummation, or parton showers. In this talk we discuss tools for tackling the problem of performing exact color summed calculations. We start with theoretical tools in the form of the (standard) trace bases and the orthogonal multiplet bases (for which a general method of construction was recently presented). Following this, we focus on two new packages for performing color structure calculations: one easy to use Mathematica package, ColorMath, and one C++ package, ColorFull, which is suitable for more demanding calculations, and for interfacing with event generators.
Modeling tire deformation for power loss calculations
Whicker, D.; Rohde, S.M.
1981-01-01
A combined thermo-mechanical model for calculating tire power loss has been developed at GMR. This paper presents the techniques for developing the realistic finite element models needed in both the thermal and deformation portions of the combined model. It also describes the techniques used in calculating deformed tire shapes. First, procedures are outlined for automatically generating a finite element discretization of a tire. Then, this discretization, together with information about the properties of tire materials, is used to develop a finite element model of the tire. This model is used in MSC NASTRAN to calculate compliances, i.e., the response of the tire to inflation and to unit loads applied at points on the tire surface. These compliances are then used in an algorithm which calculates the deformed shape of a tire loaded against the pavement surface. Sample results are presented to show the agreement between calculated and measured tire deformation.
Dose calculation system for remotely supporting radiotherapy
The dose calculation system IMAGINE is being developed keeping in mind remotely supporting external radiation therapy using photon beams. The system is expected to provide an accurate picture of the dose distribution in a patient body, using a Monte Carlo calculation that employs precise models of the patient body and irradiation head. The dose calculation will be performed utilising super-parallel computing at the dose calculation centre, which is equipped with the ITBL computer, and the calculated results will be transferred through a network. The system is intended to support the quality assurance of current, widely carried out radiotherapy and, further, to promote the prevalence of advanced radiotherapy. Prototypes of the modules constituting the system have already been constructed and used to obtain basic data that are necessary in order to decide on the concrete design of the system. The final system will be completed in 2007. (authors)
Processed evaluated nuclear data for reactor calculations
The neutron multiplication factor and the neutron flux distribution are calculated repeatedly in nuclear reactor core design calculations. Most of the other parameters of interest are derived from them. A long chain of calculations needs to be performed, which requires a set of input group constants, and the accuracy of the calculations depends on them. Basic data, such as the measured cross sections and other nuclear parameters, are too voluminous to be used for such calculations directly in routine applications, Techniques have been developed to reduce the amount of information in several steps. In the lecture notes the data reduction techniques are briefly described, with emphasis on the classifications of the data resulting from individual steps. (author)
Accuracy of calculation of neutron detection efficiency
The problems of the accuracy for the scintillator spectrometer calculation of neutron recording efficiency value are discussed. The calculation is performed by the method of direct simulation of neutron interaction with the scintillator substance. The preliminary calculations show that a contribution to efficiency of neutron recording in the range of energies of 10 through 50 MeV due to interaction of neutrons with carbon is mostly determined by reactions 12(in n' 2α)4He and 12(n, n' p)11B. The effciency calculation results are given for the cylindrical crystal of stilbene. Measurements of the neutron recording efficiency in the range of energies from 10 MeV indicate a good agreement between the calculation and the experiment
Non-perturbative background field calculations
New methods are developed for calculating one loop functional determinants in quantum field theory. Instead of relying on a calculation of all the eigenvalues of the small fluctuation equation, these techniques exploit the ability of the proper time formalism to reformulate an infinite dimensional field theoretic problem into a finite dimensional covariant quantum mechanical analog, thereby allowing powerful tools such as the method of Jacobi fields to be used advantageously in a field theory setting. More generally the methods developed herein should be extremely valuable when calculating quantum processes in non-constant background fields, offering a utilitarian alternative to the two standard methods of calculation: perturbation theory in the background field or taking the background field into account exactly. The formalism developed also allows for the approximate calculation of covariances of partial differential equations from a knowledge of the solutions of a homogeneous ordinary differential equation. copyright 1988 Academic Press, Inc
Benchmark calculations of sodium fast critical experiments
The high expectations from fast critical experiments impose the additional requirements on reliability of final reconstructed values, obtained in experiments at critical facility. Benchmark calculations of critical experiments are characterized by impossibility of complete experiment reconstruction, the large amounts of input data (dependent and independent) with very different reliability. It should also take into account different sensitivity of the measured and appropriate calculated characteristics to the identical changes of geometry parameters, temperature, and isotopic composition of individual materials. The calculations of critical facility experiments are produced for the benchmark models, generated by the specific reconstructing codes with its features when adjusting model parameters, and using the nuclear data library. The generated benchmark model, providing the agreed calculated and experimental values for one or more neutronic characteristics can lead to considerable differences for other key characteristics. The sensitivity of key neutronic characteristics to the extra steel allocation in the core, and ENDF/B nuclear data sources is performed using a few calculated models of BFS-62-3A and BFS1-97 critical assemblies. The comparative analysis of the calculated effective multiplication factor, spectral indices, sodium void reactivity, and radial fission-rate distributions leads to quite different models, providing the best agreement the calculated and experimental neutronic characteristics. This fact should be considered during the refinement of computational models and code-verification purpose. (author)
Simulation of fires based on flow calculation
The fire simulation based on flow calculation is described in the publication, and the calculated result is compared with the results obtained from fire tests. The tests have been made in Germany in a nuclear power plant removed from service. The simulation describes the flow field of the entire building, the main features of the construction effecting on it and the edge conditions. The fire is described as a given source, the value of which varies as a function of time. Heat transfer into the constructions is described using a separate heat transfer program. The result obtained from calculation describes the flow and temperature fields formed in a fire generally correctly. Due to the used sparse calculation network the results contain locally large deviations. The discrete-transfer radiation calculation method used for calculation of burning and heat transfer, and testing of it are described in the appendix. The method describes the heat radiation propagating diagonally to the calculation network better than the six-flux method used before
Development of Fast running DNBR Calculation Code
Kwon, Hyuk; Seo, K. W.; Kim, S. J.; Hwang, D. H. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2010-10-15
SMART core adopted a core protection(SCOPS) and a supervising system(SCOMS) to satisfy the SAFDL for AOO and normal operation. Generally, the criteria is limited to the DNBR limit so that the DNBR calculation module is required in the protection and the supervising system of core. There are CPU time limit and calculation robustness as some requirements of the DNBR calculation module in SCOPS and SCOMS caused by hardware limitations. The non-iterative few channel methods are needed to satisfy the requirements. Non-iterative numerical method is similar to the CETOP algorithm originated from ref. 1. The method is known as the non-iterative prediction and correction method. An optimum number of channels for core lumping model is selected as 4- channel which is same channel number of CETOP model. A compensation model of lumped channel is needed to ensure that the 4-channel thermal hydraulic field is nearly equivalent to that field of 1/8-core model that is calculated by MATRA-S. The code called FAST that is fast running DNBR calculation is developed to satisfy the requirements of CPU time and calculation robustness. Present paper is described of characteristics and calculation results of developed FAST code
Neutron shielding calculation for VVER NPP
There are two methods for neutron transport (shielding) calculation used in Energoproject, Prague, the method of discrete ordinates (code TORT-DORT) and the Monte Carlo method (codes MCNP and module within the code SCALE). The task concerning neutron dose rates calculation near casks with VVER spent fuel are presented as an example. Measured neutron dose rates of real loaded C-30 casks for VVER spent fuel assemblies are compared with calculated values in the frame of the international benchmark calculation task. A part of the task realized by the Atomic Energy Research (AER) organization concerning neutron shielding is calculated. The cask C-30 is used in Slovak Jaslovske Bohunice NPP for transport of spent fuel assemblies to the storage facility. The benchmark task has been calculated by the two-dimensional code DORT originated from Oak Ridge National Laboratory. The code solves transport problems using the method of discrete ordinates (SN - method). Calculated neutron dose rates in azimuth and vertical directions show good agreement with the experiment within the range of the measurement errors. In comparison with the other codes the results of DORT are approximately 20% lower. There have been analysed differences between one- and two- dimensional approach and influence of the flux-to-dose rate conversion factors set
Upper Subcritical Calculations Based on Correlated Data
Sobes, Vladimir [ORNL; Rearden, Bradley T [ORNL; Mueller, Don [ORNL; Marshall, William BJ J [ORNL; Scaglione, John M [ORNL; Dunn, Michael E [ORNL
2015-01-01
The American National Standards Institute and American Nuclear Society standard for Validation of Neutron Transport Methods for Nuclear Criticality Safety Calculations defines the upper subcritical limit (USL) as “a limit on the calculated k-effective value established to ensure that conditions calculated to be subcritical will actually be subcritical.” Often, USL calculations are based on statistical techniques that infer information about a nuclear system of interest from a set of known/well-characterized similar systems. The work in this paper is part of an active area of research to investigate the way traditional trending analysis is used in the nuclear industry, and in particular, the research is assessing the impact of the underlying assumption that the experimental data being analyzed for USL calculations are statistically independent. In contrast, the multiple experiments typically used for USL calculations can be correlated because they are often performed at the same facilities using the same materials and measurement techniques. This paper addresses this issue by providing a set of statistical inference methods to calculate the bias and bias uncertainty based on the underlying assumption that the experimental data are correlated. Methods to quantify these correlations are the subject of a companion paper and will not be discussed here. The newly proposed USL methodology is based on the assumption that the integral experiments selected for use in the establishment of the USL are sufficiently applicable and that experimental correlations are known. Under the assumption of uncorrelated data, the new methods collapse directly to familiar USL equations currently used. We will demonstrate our proposed methods on real data and compare them to calculations of currently used methods such as USLSTATS and NUREG/CR-6698. Lastly, we will also demonstrate the effect experiment correlations can have on USL calculations.
Energy of plate tectonics calculation and projection
N. H. Swedan
2013-02-01
Full Text Available Mathematics and observations suggest that the energy of the geological activities resulting from plate tectonics is equal to the latent heat of melting, calculated at mantle's pressure, of the new ocean crust created at midocean ridges following sea floor spreading. This energy varies with the temperature of ocean floor, which is correlated with surface temperature. The objective of this manuscript is to calculate the force that drives plate tectonics, estimate the energy released, verify the calculations based on experiments and observations, and project the increase of geological activities with surface temperature rise caused by climate change.
Stopping-power calculations for semiconductors
The method developed by Brandt and Reinheimer which explicitly includes the effect of the semiconductor gap has been used to calculate the proton and α-particle stopping powers of the valence-electron gas of C (diamond), ZnTe, and U. These values, as well as those existing for Si and Ge, have been combined with the stopping contribution of the electronic core obtained from the statistical atomic model of Bonderup. Stopping powers have also been calculated using the statistical model alone. The calculated curves, which are valid for all incident projectile energies, reproduce the overall features of the semiempirical slowing-down curves, but not always the absolute values
The WFIRST Galaxy Survey Exposure Time Calculator
Hirata, Christopher M.; Gehrels, Neil; Kneib, Jean-Paul; Kruk, Jeffrey; Rhodes, Jason; Wang, Yun; Zoubian, Julien
2013-01-01
This document describes the exposure time calculator for the Wide-Field Infrared Survey Telescope (WFIRST) high-latitude survey. The calculator works in both imaging and spectroscopic modes. In addition to the standard ETC functions (e.g. background and SN determination), the calculator integrates over the galaxy population and forecasts the density and redshift distribution of galaxy shapes usable for weak lensing (in imaging mode) and the detected emission lines (in spectroscopic mode). The source code is made available for public use.
Calculation of external dose from distributed source
This paper discusses a relatively simple calculational method, called the point kernel method (Fo68), for estimating external dose from distributed sources that emit photon or electron radiations. The principles of the point kernel method are emphasized, rather than the presentation of extensive sets of calculations or tables of numerical results. A few calculations are presented for simple source geometries as illustrations of the method, and references and descriptions are provided for other caluclations in the literature. This paper also describes exposure situations for which the point kernel method is not appropriate and other, more complex, methods must be used, but these methods are not discussed in any detail
Neutronic parameters calculations of a CANDU reactor
Neutronic calculations that reproduce in a simplified way some aspects of a CANDU reactor design were performed. Starting from some prefixed reactor parameters, cylindrical and uniform iron adjuster rods were designed. An appropriate refueling scheme was established, defininig in a 2 zones model their dimensions and exit burnups. The calculations have been done using the codes WIMS-D4 (cell), SNOD (reactivity device simulations) and PUMA (reactor). Comparing with similar calculations done with codes and models usually employed for CANDU design, it is concluded that the models and methods used are appropriate. (Author)
Assessment of seismic margin calculation methods
Kennedy, R.P.; Murray, R.C.; Ravindra, M.K.; Reed, J.W.; Stevenson, J.D.
1989-03-01
Seismic margin review of nuclear power plants requires that the High Confidence of Low Probability of Failure (HCLPF) capacity be calculated for certain components. The candidate methods for calculating the HCLPF capacity as recommended by the Expert Panel on Quantification of Seismic Margins are the Conservative Deterministic Failure Margin (CDFM) method and the Fragility Analysis (FA) method. The present study evaluated these two methods using some representative components in order to provide further guidance in conducting seismic margin reviews. It is concluded that either of the two methods could be used for calculating HCLPF capacities. 21 refs., 9 figs., 6 tabs.
Fluidization calculation on nuclear fuel kernel coating
The fluidization of nuclear fuel kernel coating was calculated. The bottom of the reactor was in the from of cone on top of the cone there was a cylinder, the diameter of the cylinder for fluidization was 2 cm and at the upper part of the cylinder was 3 cm. Fluidization took place in the cone and the first cylinder. The maximum and the minimum velocity of the gas of varied kernel diameter, the porosity and bed height of varied stream gas velocity were calculated. The calculation was done by basic program
Subcritical calculation of the nuclear material warehouse
In this work the subcritical calculation of the nuclear material warehouse of the Reactor TRIGA Mark III labyrinth in the Mexico Nuclear Center is presented. During the adaptation of the nuclear warehouse (vault I), the fuel was temporarily changed to the warehouse (vault II) and it was also carried out the subcritical calculation for this temporary arrangement. The code used for the calculation of the effective multiplication factor, it was the Monte Carlo N-Particle Extended code known as MCNPX, developed by the National Laboratory of Los Alamos, for the particles transport. (Author)
The WFIRST Galaxy Survey Exposure Time Calculator
Hirata, Christopher M; Kneib, Jean-Paul; Kruk, Jeffrey; Rhodes, Jason; Wang, Yun; Zoubian, Julien
2012-01-01
This document describes the exposure time calculator for the Wide-Field Infrared Survey Telescope (WFIRST) high-latitude survey. The calculator works in both imaging and spectroscopic modes. In addition to the standard ETC functions (e.g. background and S/N determination), the calculator integrates over the galaxy population and forecasts the density and redshift distribution of galaxy shapes usable for weak lensing (in imaging mode) and the detected emission lines (in spectroscopic mode). The source code is made available for public use.
Hamming generalized corrector for reactivity calculation
Suescun-Diaz, Daniel; Ibarguen-Gonzalez, Maria C.; Figueroa-Jimenez, Jorge H. [Pontificia Universidad Javeriana Cali, Cali (Colombia). Dept. de Ciencias Naturales y Matematicas
2014-06-15
This work presents the Hamming method generalized corrector for numerically resolving the differential equation of delayed neutron precursor concentration from the point kinetics equations for reactivity calculation, without using the nuclear power history or the Laplace transform. A study was carried out of several correctors with their respective modifiers with different time step calculations, to offer stability and greater precision. Better results are obtained for some correctors than with other existing methods. Reactivity can be calculated with precision of the order h{sup 5}, where h is the time step. (orig.)
Ti-84 Plus graphing calculator for dummies
McCalla
2013-01-01
Get up-to-speed on the functionality of your TI-84 Plus calculator Completely revised to cover the latest updates to the TI-84 Plus calculators, this bestselling guide will help you become the most savvy TI-84 Plus user in the classroom! Exploring the standard device, the updated device with USB plug and upgraded memory (the TI-84 Plus Silver Edition), and the upcoming color screen device, this book provides you with clear, understandable coverage of the TI-84's updated operating system. Details the new apps that are available for download to the calculator via the USB cabl
Using Inverted Indices for Accelerating LINGO Calculations
Kristensen, Thomas Greve; Nielsen, Jesper; Pedersen, Christian Nørgaard Storm
2011-01-01
The ever growing size of chemical data bases calls for the development of novel methods for representing and comparing molecules. One such method called LINGO is based on fragmenting the SMILES string representation of molecules. Comparison of molecules can then be performed by calculating the...... queries. The previous best method for rapidly calculating the LINGOsim similarity matrix required specialised hardware to yield a significant speedup over existing methods. By representing LINGO multisets in the verbose representation and using inverted indices it is possible to calculate LINGOsim...
Equivalent-spherical-shield neutron dose calculations
Neutron doses through 162-cm-thick spherical shields were calculated to be 1090 and 448 mrem/h for regular and magnetite concrete, respectively. These results bracket the measured data, for reinforced regular concrete, of /approximately/600 mrem/h. The calculated fraction of the high-energy (>20 MeV) dose component also bracketed the experimental data. The measured and calculated doses were for a graphite beam stop bombarded with 100 nA of 800-MeV protons. 6 refs., 2 figs., 1 tab
Hamming generalized corrector for reactivity calculation
This work presents the Hamming method generalized corrector for numerically resolving the differential equation of delayed neutron precursor concentration from the point kinetics equations for reactivity calculation, without using the nuclear power history or the Laplace transform. A study was carried out of several correctors with their respective modifiers with different time step calculations, to offer stability and greater precision. Better results are obtained for some correctors than with other existing methods. Reactivity can be calculated with precision of the order h5, where h is the time step. (orig.)
Assessment of seismic margin calculation methods
Seismic margin review of nuclear power plants requires that the High Confidence of Low Probability of Failure (HCLPF) capacity be calculated for certain components. The candidate methods for calculating the HCLPF capacity as recommended by the Expert Panel on Quantification of Seismic Margins are the Conservative Deterministic Failure Margin (CDFM) method and the Fragility Analysis (FA) method. The present study evaluated these two methods using some representative components in order to provide further guidance in conducting seismic margin reviews. It is concluded that either of the two methods could be used for calculating HCLPF capacities. 21 refs., 9 figs., 6 tabs
Pairing schemes for HFB calculations of nuclei
Duguet, T; Bonche, P
2005-01-01
Several pairing schemes currently used to describe superfluid nuclei through Hartree-Fock-Bogolyubov (HFB) calculations are briefly reviewed. We put a particular emphasis on the regularization recipes used in connection with zero-range forces and on the density dependence which usually complement their definition. Regarding the chosen regularization process, the goal is not only to identify the impact it may or may not have on pairing properties of nuclei through spherical 1D HFB calculations but also to assess its tractability for systematic axial 2D and 3D mean-field and beyond-mean-field calculations.
RA-0 reactor. New neutronic calculations
An updating of the neutronic calculations performed at the RA-0 reactor, located at the Natural, Physical and Exact Sciences Faculty of Cordoba National University, are herein described. The techniques used for the calculation of a reactor like the RA-0 allows prediction in detail of the flux behaviour in the core's interior and in the reflector, which will be helpful for experiments design. In particular, the use of WIMSD4 code to make calculations on the reactor implies a novelty in the possible applications of this code to solve the problems that arise in practice. (Author)
Semidirect algorithms in electron propagator calculations
Zakrzewski, V.G.; Ortiz, J.V. [Univ. of New Mexico, Albuquerque, NM (United States)
1994-12-31
Electron propagator calculations have been executed with a semi-direct algorithm that generates only a subset of transformed electron repulsion integrals and that takes advantage of Abelian point group symmetry. Diagonal self-energy expressions that are advantageous for large molecules are employed. Illustrative calculations with basis sets in excess of 200 functions include evaluations of the ionization energies of C{sup 2{minus}}{sub 7} and Zn(C{sub 5}H{sub 5}){sub 2}. In the former application, a bound dianion is obtained for a D{sub 3h} structure. In the latter, many final states of the same symmetry are calculated without difficulty.
Calculation of profitability in computer tomography (CT)
The comments do not refer to a specific type of whole body computer tomography which made it necessary to base the calculations on mean values with regard to both initial costs and operating costs. The calculation of the receipts was based on the resulting costs, mean long-term utilization of the unit and on a reasonable period of amortization. The model calculation indicates that the break-even point is reached with 1,920 annual examinations and a five-year amortization period. (orig.) 891 MG/orig. 892 MB
Importance iteration in MORSE Monte Carlo calculations
An expression to calculate point values (the expected detector response of a particle emerging from a collision or the source) is derived and implemented in the MORSE-SGC/S Monte Carlo code. It is outlined how these point values can be smoothed as a function of energy and as a function of the optical thickness between the detector and the source. The smoothed point values are subsequently used to calculate the biasing parameters of the Monte Carlo runs to follow. The method is illustrated by an example, which shows that the obtained biasing parameters lead to a more efficient Monte Carlo calculation. (orig.)
Resonance integral calculations for high temperature reactors
Methods of calculation of resonance integrals of finite dilution and temperature are given for both, homogeneous and heterogeneous geometries, together with results obtained from these methods as applied to the design of high temperature reactors. (author)
Temperature calculation in fire safety engineering
Wickström, Ulf
2016-01-01
This book provides a consistent scientific background to engineering calculation methods applicable to analyses of materials reaction-to-fire, as well as fire resistance of structures. Several new and unique formulas and diagrams which facilitate calculations are presented. It focuses on problems involving high temperature conditions and, in particular, defines boundary conditions in a suitable way for calculations. A large portion of the book is devoted to boundary conditions and measurements of thermal exposure by radiation and convection. The concepts and theories of adiabatic surface temperature and measurements of temperature with plate thermometers are thoroughly explained. Also presented is a renewed method for modeling compartment fires, with the resulting simple and accurate prediction tools for both pre- and post-flashover fires. The final chapters deal with temperature calculations in steel, concrete and timber structures exposed to standard time-temperature fire curves. Useful temperature calculat...
Calculation models for a nuclear reactor
Determination of different parameters of nuclear reactors requires neutron transport calculations. Due to complicity of geometry and material composition of the reactor core, neutron calculations were performed for simplified models of the real arrangement. In frame of the present work two models were used for calculations. First, an elementary cell model was used to prepare cross section data set for a homogenized-core reactor model. The homogenized-core reactor model was then used to perform neutron transport calculation. The nuclear reactor is a tank-shaped thermal reactor. The semi-cylindrical core arrangement consists of aluminum made fuel bundles immersed in water which acts as a moderator as well as a coolant. Each fuel bundle consists of aluminum cladded fuel rods arranged in square lattices. (author)
Multigrid Methods in Electronic Structure Calculations
Briggs, E L; Bernholc, J
1996-01-01
We describe a set of techniques for performing large scale ab initio calculations using multigrid accelerations and a real-space grid as a basis. The multigrid methods provide effective convergence acceleration and preconditioning on all length scales, thereby permitting efficient calculations for ill-conditioned systems with long length scales or high energy cut-offs. We discuss specific implementations of multigrid and real-space algorithms for electronic structure calculations, including an efficient multigrid-accelerated solver for Kohn-Sham equations, compact yet accurate discretization schemes for the Kohn-Sham and Poisson equations, optimized pseudo\\-potentials for real-space calculations, efficacious computation of ionic forces, and a complex-wavefunction implementation for arbitrary sampling of the Brillioun zone. A particular strength of a real-space multigrid approach is its ready adaptability to massively parallel computer architectures, and we present an implementation for the Cray-T3D with essen...
Representation and calculation of economic uncertainties
Schjær-Jacobsen, Hans
2002-01-01
Management and decision making when certain information is available may be a matter of rationally choosing the optimal alternative by calculation of the utility function. When only uncertain information is available (which is most often the case) decision-making calls for more complex methods of...... representation and calculation and the basis for choosing the optimal alternative may become obscured by uncertainties of the utility function. In practice, several sources of uncertainties of the required information impede optimal decision making in the classical sense. In order to be able to better handle the...... uncertain economic numbers are discussed. When solving economic models for decision-making purposes calculation of uncertain functions will have to be carried out in addition to the basic arithmetical operations. This is a challenging numerical problem since improper methods of calculation may introduce...
Nuclear structure calculations for astrophysical applications
Here we present calculated results on such diverse properties as nuclear energy levels, ground-state masses and shapes, β-decay properties and fission-barrier heights. Our approach to these calculations is to use a unified theoretical framework within which the above properties can all be studied. The results are obtained in the macroscopic-microscopic approach in which a microscopic nuclear-structure single-particle model with extensions is combined with a macroscopic model, such as the liquid drop model. In this model the total potential energy of the nucleus may be calculated as a function of shape. The maxima and minima in this function correspond to such features as the ground state, fission saddle points and shape-isomeric states. Various transition rate matrix elements are determined from wave-functions calculated in the single-particle model with pairing and other relevant residual interactions taken into account
Benchmark calculations of power distribution within assemblies
The main objective of this Benchmark is to compare different techniques for fine flux prediction based upon coarse mesh diffusion or transport calculations. We proposed 5 ''core'' configurations including different assembly types (17 x 17 pins, ''uranium'', ''absorber'' or ''MOX'' assemblies), with different boundary conditions. The specification required results in terms of reactivity, pin by pin fluxes and production rate distributions. The proposal for these Benchmark calculations was made by J.C. LEFEBVRE, J. MONDOT, J.P. WEST and the specification (with nuclear data, assembly types, core configurations for 2D geometry and results presentation) was distributed to correspondents of the OECD Nuclear Energy Agency. 11 countries and 19 companies answered the exercise proposed by this Benchmark. Heterogeneous calculations and homogeneous calculations were made. Various methods were used to produce the results: diffusion (finite differences, nodal...), transport (Pij, Sn, Monte Carlo). This report presents an analysis and intercomparisons of all the results received
A novel algorithmic method for piezoresistance calculation
A novel algorithmic method, based on the different stress distribution on the surface of thin film in an SOI microstructure, is put forward to calculate the value of the silicon piezoresistance on the sensitive film. In the proposed method, we take the Ritz method as an initial theoretical model to calculate the rate of piezoresistance ΔR/R through an integral (the closed area Ω where the surface piezoresistance of the film lies as the integral area and the product of stress σ and piezoresistive coefficient π as the integral object) and compare the theoretical values with the experimental results. Compared with the traditional method, this novel calculation method is more accurate when applied to calculating the value of the silicon piezoresistance on the sensitive film of an SOI pieoresistive pressure sensor. (semiconductor devices)
Methods of bone marrow dose calculation
Several methods of bone marrow dose calculation for photon irradiation were analised. After a critical analysis, the author proposes the adoption, by the Instituto de Radioprotecao e Dosimetria/CNEN, of Rosenstein's method for dose calculations in Radiodiagnostic examinations and Kramer's method in case of occupational irradiation. It was verified by Eckerman and Simpson that for monoenergetic gamma emitters uniformly distributed within the bone mineral of the skeleton the dose in the bone surface can be several times higher than dose in skeleton. In this way, is also proposed the Calculation of tissue-air ratios for bone surfaces in some irradiation geometries and photon energies to be included in the Rosenstein's method for organ dose calculation in Radiodiagnostic examinations. (Author)
Historical river flow rates for dose calculations
Annual average river flow rates are required input to the LADTAP Computer Code for calculating offsite doses from liquid releases of radioactive materials to the Savannah River. The source of information on annual river flow rates used in dose calculations varies, depending on whether calculations are for retrospective releases or prospective releases. Examples of these types of releases are: Retrospective - releases from routine operations (annual environmental reports) and short term release incidents that have occurred. Prospective - releases that might be expected in the future from routine or abnormal operation of existing or new facilities (EIS's, EID'S, SAR'S, etc.). This memorandum provides historical flow rates at the downstream gauging station at Highway 301 for use in retrospective dose calculations and derives flow rate data for the Beaufort-Jasper and Port Wentworth water treatment plants
Reactor physics calculations in the Nordic countries
The seventh biennial meeting on reactor physics calculations in the Nordic countries was arranged by VTT Energy on May 8-9, 1995. 26 papers on different subjects in the field of reactor physics were presented by 45 participants representing research establishments, technical universities, utilities, consultants and suppliers. Resent development and verification of the program systems of ABB Atom, Risoe, Scandpower, Studsvik and VTT Energy were the main topic of the meeting. Benchmarking of the two assembly codes CASMO-4 and HELIOS is proceeding. Cross section data calculated with CASMO-HEX have been validated for the Loviisa reactors. On core analysis ABB atom gives a description on its latest core simulator version POLCA7 with the calculation Core Master 2 and the BWR core supervision system Core Watch. Transient calculations with HEXTRAN, HEXTRAN- PLIM, TRAB, RAMONA, SIMULATE-3K and a code based on PRESTO II/POLCA7 were also presented
Program package for 2D burnup calculation
The program package for 2 dimension burnup calculation was developed for TRIGA Mark III reactor. The package consists of 3 modules: PRESIX, SIXTUS-2, and BURN; 1 library, and 2 input files. PRESIX module prepared cross sections for diffusion calculation. SIXTUS-2 module, a two dimensional diffusion code in hexagonal geometry, calculates keff, neutron fluxes and power distributions. BURN module performs the burnup of fuel elements and stored the result in the ELEM.DAT file. PRESIX.LIB is two group cross section library for major reactor core components prepared using WIMS-D4 code. PRES.INP, the first input file, reads information on reactor power and core loading pattern. ELEM.DAT, the second input file, is prepared for specific TRIGA reactor and dependent on operation history. To verify the reactor model and computational methods, the calculated excess reactivities were compared to the measurement. The results are in good agreement. (author)
Slide Rule For Calculating Curing Schedules
Heater, Don
1995-01-01
Special-purpose slide rule devised for calculating schedules for storing and curing adhesives, sealants, and other materials characterized by known curing times and shelf lives. Prevents mistakes commonly made in determining storage and curing schedules.
Calculation of eigenfunction fluxes in nuclear systems
A new Monte Carlo method is being developed to calculate eigenfunction fluxes in critical or near-critical nuclear systems. The correct estimation of fluxes is essential for radiation protection and shielding near these systems, in addition to isotope production, isotope depletion, nuclear criticality and other applications. The proposed method applies to Monte Carlo criticality eigenvalue calculations in which the fission sites in one generation are used as fission sources in subsequent generations. The usual Monte Carlo power iteration method for such problems often calculates fluxes (eigenfunctions) that are inaccurate and very different in symmetric parts of a problem geometry. The proposed method calculates flux distributions by estimating an approximate fission matrix. The way the fission matrix is estimated and used differs from other recent works. Preliminary results are promising. (authors)
Precipitates/Salts Model Sensitivity Calculation
The objective and scope of this calculation is to assist Performance Assessment Operations and the Engineered Barrier System (EBS) Department in modeling the geochemical effects of evaporation on potential seepage waters within a potential repository drift. This work is developed and documented using procedure AP-3.12Q, ''Calculations'', in support of ''Technical Work Plan For Engineered Barrier System Department Modeling and Testing FY 02 Work Activities'' (BSC 2001a). The specific objective of this calculation is to examine the sensitivity and uncertainties of the Precipitates/Salts model. The Precipitates/Salts model is documented in an Analysis/Model Report (AMR), ''In-Drift Precipitates/Salts Analysis'' (BSC 2001b). The calculation in the current document examines the effects of starting water composition, mineral suppressions, and the fugacity of carbon dioxide (CO2) on the chemical evolution of water in the drift
Fair and Reasonable Rate Calculation Data
Department of Transportation — This dataset provides guidelines for calculating the fair and reasonable rates for U.S. flag vessels carrying preference cargoes subject to regulations contained at...
Numerical calculations in quantum field theories
Four lecture notes are included: (1) motivation for numerical calculations in Quantum Field Theory; (2) numerical simulation methods; (3) Monte Carlo studies of Quantum Chromo Dynamics; and (4) systems with fermions. 23 references
Numerical Calculation of Model Rocket Trajectories.
Keeports, David
1990-01-01
Discussed is the use of model rocketry to teach the principles of Newtonian mechanics. Included are forces involved; calculations for vertical launches; two-dimensional trajectories; and variations in mass, drag, and launch angle. (CW)
Thermal calculations for water cooled research reactors
The formulae and the more important numerical data necessary for thermic calculations on the core of a research reactor, cooled with low pressure water, are presented. Most of the problems met by the designer and the operator are dealt with (calculations margins, cooling after shut-down). Particular cases are considered (gas release, rough walls, asymmetric cooling slabs etc.), which are not generally envisaged in works on general thermics
Molecular transport calculations with Wannier functions
Thygesen, K. S.; Jacobsen, K. W.
2005-01-01
We present a scheme for calculating coherent electron transport in atomic-scale contacts. The method combines a formally exact Green's function formalism with a mean-field description of the electronic structure based on the Kohn-Sham scheme of density functional theory. We use an accurate plane-wave electronic structure method to calculate the eigenstates which are subsequently transformed into a set of localized Wannier functions (WFs). The WFs provide a highly efficient basis set which at ...
Software Metrics: Calculation and Optimization of Thresholds
Abhishek Kumar Maheswari
2011-01-01
In this article, we present a algorithmic method for the calculation of thresholds (the starting point for a new state) for a software metric set. To this aim, machine learning and data mining techniques are utilized. We define a data-driven methodology that can be used for efficiency optimization of existing metric sets, for the simplification of complex classification models, and for the calculation of thresholds for a metric set in an environment where no metric set yet exists. The methodo...
Energy of plate tectonics calculation and projection
N. H. Swedan
2013-01-01
Mathematics and observations suggest that the energy of the geological activities resulting from plate tectonics is equal to the latent heat of melting, calculated at mantle's pressure, of the new ocean crust created at midocean ridges following sea floor spreading. This energy varies with the temperature of ocean floor, which is correlated with surface temperature. The objective of this manuscript is to calculate the force that drives plate tectonics, estimate the energy released, verify the...
Validation of fluorescence transition probability calculations
M. G. PiaINFN, Sezione di Genova; P. Saracco(INFN, Sezione di Genova); Manju Sudhaka(INFN, Sezione di Genova)
2015-01-01
A systematic and quantitative validation of the K and L shell X-ray transition probability calculations according to different theoretical methods has been performed against experimental data. This study is relevant to the optimization of data libraries used by software systems, namely Monte Carlo codes, dealing with X-ray fluorescence. The results support the adoption of transition probabilities calculated according to the Hartree-Fock approach, which manifest better agreement with experimen...
PROSPECTS OF MANAGEMENT ACCOUNTING AND COST CALCULATION
Marian ŢAICU
2014-11-01
Full Text Available Progress in improving production technology requires appropriate measures to achieve an efficient management of costs. This raises the need for continuous improvement of management accounting and cost calculation. Accounting information in general, and management accounting information in particular, have gained importance in the current economic conditions, which are characterized by risk and uncertainty. The future development of management accounting and cost calculation is essential to meet the information needs of management.
A calculational model for the NRU reactor
A new computer model to calculate neutronic properties of the NRU research reactor is being implemented at the Chalk River Nuclear Laboratories (CRNL). The model is founded on numerous theoretical studies, on analysis of NRU support experiments done in a zero power reactor, and on comparison with measurements in the NRU reactor. This paper examines the elements of the new calculational model, concentrating on the unique features of NRU and their influences on neutron behaviour
A calculational model for the NRU reactor
A new computer model to calculate neutronic properties of the NRU research reactor is being implemented at the Chalk River Nuclear Laboratories (CRNL). The model is founded on numerous theoretical studies, on analysis of NRU support experiments done in a zero power reactor, and on comparison with measurement in the NRU reactor. This paper examines the elements of the new calculational model, concentrating on the unique features of NRU and their influences on neutron behaviour
Calculation of the resonant ionization of helium
Autoionizing resonances in the compound system of an electron and a helium ion are observed in kinematically-complete ionization experiments for electrons on helium atoms. The differential cross section is calculated for comparison with these experiments in an equivalent-local form of the distorted-wave impulse approximation. Resonant scattering amplitudes are calculated by a six-state momentum-space coupled-channels method. 10 refs., 1 tab., 2 figs
Making calculated energy certificate for choosen building
Hafner, Rok
2015-01-01
The graduation thesis addresses four given energy efficiency certificates for the preschool in Škofja Loka, calculated according to the valid legislation and work methodology. The building in question was built in the seventies of last century and had it's efficiency improved in 2014. The state of the building before improvements has both measured and calculated efficiency certificates made using the KI Energija 2014 program, while the two energy efficiency certificates for the...
A Java Interface for Roche Lobe Calculations
Leahy, D. A.; Leahy, J. C.
2015-09-01
A JAVA interface for calculating various properties of the Roche lobe has been created. The geometry of the Roche lobe is important for studying interacting binary stars, particularly those with compact objects which have a companion which fills the Roche lobe. There is no known analytic solution to the Roche lobe problem. Here the geometry of the Roche lobe is calculated numerically to high accuracy and made available to the user for arbitrary input mass ratio, q.
Full CI benchmark calculations on CH3
Bauschlicher, Charles W., Jr.; Taylor, Peter R.
1987-01-01
Full CI calculations have been performed on the CH3 radical. The full CI results are compared to those obtained using CASSCF/multireference CI and coupled-pair functional methods, both at the equilibrium CH distance and at geometries with the three CH bonds extended. In general, the performance of the approximate methods is similar to that observed in calculations on other molecules in which one or two bonds were stretched.
Source term calculations of the ALMR
This report contains the results of a thermochemical study on the aspects of fission product release in sodium cooled reactors. An overview of the relevant thermochemical data (excess Gibbs energies of mixing) of sodium systems is presented. Phase equilibrium calculations of the thermochemical behavior of one fuel pin and of the reactor vessel were performed. In these calculations, 30 elements and approximately 100 compounds are involved. (orig.)
Source term calculations of the ALMR
Schram, R.P.C.; Cordfunke, E.H.P.; Huntelaar, M.E.
1995-07-01
This report contains the results of a thermochemical study on the aspects of fission product release in sodium cooled reactors. An overview of the relevant thermochemical data (excess Gibbs energies of mixing) of sodium systems is presented. Phase equilibrium calculations of the thermochemical behavior of one fuel pin and of the reactor vessel were performed. In these calculations, 30 elements and approximately 100 compounds are involved. (orig.).
Providing driving rain data for hygrothermal calculations
Kragh, Mikkel Kristian
1996-01-01
Due to a wish for driving rain data as input for hygrothermal calculations, this report deals with utilizing commonly applied empirical relations and standard meteorological data, in an attempt to provide realistic estimates rather than exact correlations.......Due to a wish for driving rain data as input for hygrothermal calculations, this report deals with utilizing commonly applied empirical relations and standard meteorological data, in an attempt to provide realistic estimates rather than exact correlations....
VVER-related burnup credit calculations
The calculations related to a VVER burnup credit calculational benchmark proposed to the Eastern and Central European research community in collaboration with the OECD/NEA/NSC Burnup Credit Criticality Benchmark Working Group (working under WPNCS - Working Party on Nuclear Criticality Safety) are described. The results of a three-year effort by analysts from the Czech Republic, Finland, Germany, Hungary, Russia, Slovakia and the United Kingdom are summarized and commented on. (author)
Noble gas sputtering calculations using TRIM
In conjunction with our experimental work on saddle field ion sputtering, we have attempted to apply the Monte Carlo program TRIM (Transport of Ions in Matter) to calculate the sputter yields for a variety of noble gas sputtering applications. Comparison with experiments are shown. Information extracted from these analyses have proved useful in optimizing the experimental sputtering parameters. Calculated sputter yields obtained utilizing TRIM are presented for noble gas sputtering of a variety of materials common to nuclear target production
Efficient Finite Element Calculation of Nγ
Clausen, Johan; Damkilde, Lars; Krabbenhøft, K.
2007-01-01
This paper deals with the computational aspects of the Mohr-Coulomb material model, in particular the calculation of the bearing capacity factor Nγfor a strip and a circular footing.......This paper deals with the computational aspects of the Mohr-Coulomb material model, in particular the calculation of the bearing capacity factor Nγfor a strip and a circular footing....
INTERNAL CALCULATION IN TERM BUSINESS DECISION MAKING
Jugoslav Aničić, Miloje Jelić, Jasmina M. Đurović, Srećko Radoičić, Živojin B. Prokopović
2014-01-01
Business-financial decision making represent prime activity of top management. Growing complexity in the business ,market and rapid technological change require fast and appropriate answer of top management. Confident and efficient system of internal calculation gives confident base, for making financial decision and strategic as well. Companies of industrial sector in Serbia can significantly improve their business performance by improving internal calculation systems. The preservation and s...
Calculation Methodology for Flexible Arithmetic Processing
García Chamizo, Juan Manuel; Mora Pascual, Jerónimo Manuel; Mora Mora, Higinio; Signes Pont, María Teresa
2003-01-01
A new operation model of flexible calculation that allows us to adjust the operation delay depending on the available time is presented. The operation method design uses look-up tables and progressive construction of the result. The increase in the operators’ granularity opens up new possibilities in calculation methods and microprocessor design. This methodology, together with the advances in technology, enables the functions of an arithmetic unit to be implemented on the basis of techniques...
A revised calculational model for fission
A semi-empirical parametrization has been developed to calculate the fission contribution to evaporative de-excitation of nuclei with a very wide range of charge, mass and excitation-energy and also the nuclear states of the scission products. The calculational model reproduces measured values (cross-sections, mass distributions, etc.) for a wide range of fissioning systems: Nuclei from Ta to Cf, interactions involving nucleons up to medium energy and light ions. (author)
Variational calculations on the hydrogen molecular ion
Taylor, J. M.; Yan, Zong-Chao; Dalgarno, A.; Babb, J. F.
1998-01-01
We present high-precision non-relativistic variational calculations of bound vibrational-rotational state energies for the $H_2^+$ and $D_2^+$ molecular ions in each of the lowest electronic states of $\\Sigma_g$, $\\Sigma_u$, and $\\Pi_u$ symmetry. The calculations are carried out including coupling between $\\Sigma$ and $\\Pi$ states but without using the Born-Oppenheimer or any adiabatic approximation. Convergence studies are presented which indicate that the resulting energies for low-lying le...
R-matrix calculation for photoionization
无
2000-01-01
We have employed the R-matrix method to calculate differe ntial cross sections for photoionization of helium leaving helium ion in an exci ted state for incident photon energy between the N=2 and N=3 thresholds (69～73 eV) of He+ ion. Differential cross sections for photoionization in the N=2 level at emission angle 0° are provide. Our results are in good agreem ent with available experimental data and theoretical calculations.
Calculation of mixed core safety parameters
The purpose of this presentation is the reactor physics explanation of the most important nuclear safety parameters in mixed TRIGA cores as well as their calculation methods and appropriate computer codes. Nuclear core parameters, such as power density peaking factors and temperature reactivity coefficients are considered. The computer codes adapted, tested and widely available for TRIGA nuclear calculations are presented. Thermal-hydraulics aspects of safety analysis are not treated
Users enlist consultants to calculate costs, savings
1982-05-24
Consultants who calculate payback provide expertise and a second opinion to back up energy managers' proposals. They can lower the costs of an energy-management investment by making complex comparisons of systems and recommending the best system for a specific application. Examples of payback calculations include simple payback for a school system, a university, and a Disneyland hotel, as well as internal rate of return for a corporate office building and a chain of clothing stores. (DCK)
Sample size calculation in medical studies
Pourhoseingholi, Mohamad Amin; Vahedi, Mohsen; Rahimzadeh, Mitra
2013-01-01
Optimum sample size is an essential component of any research. The main purpose of the sample size calculation is to determine the number of samples needed to detect significant changes in clinical parameters, treatment effects or associations after data gathering. It is not uncommon for studies to be underpowered and thereby fail to detect the existing treatment effects due to inadequate sample size. In this paper, we explain briefly the basic principles of sample size calculations in medica...
Three dimensional diffusion calculations of nuclear reactors
This work deals with the three dimensional calculation of nuclear reactors using the code TRITON. The purposes of the work were to perform three-dimensional computations of the core of the Soreq nuclear reactor and of the power reactor ZION and to validate the TRITON code. Possible applications of the TRITON code in Soreq reactor calculations and in power reactor research are suggested. (H.K.)
Improved Calculation of Thermal Fission Energy
Ma, X. B.; Zhong, W. L.; Wang, L. Z.; Y. X. Chen; Cao, J
2012-01-01
Thermal fission energy is one of the basic parameters needed in the calculation of antineutrino flux for reactor neutrino experiments. It is useful to improve the precision of the thermal fission energy calculation for current and future reactor neutrino experiments, which are aimed at more precise determination of neutrino oscillation parameters. In this article, we give new values for thermal fission energies of some common thermal reactor fuel isotopes, with improvements on three aspects. ...
DOWNSCALE APPLICATION OF BOILER THERMAL CALCULATION APPROACH
Zelený, Zbynĕk; Hrdlička, Jan
2016-01-01
Commonly used thermal calculation methods are intended primarily for large scale boilers. Hot water small scale boilers, which are commonly used for home heating have many specifics, that distinguish them from large scale boilers especially steam boilers. This paper is focused on application of thermal calculation procedure that is designed for large scale boilers, on a small scale boiler for biomass combustion of load capacity 25 kW. Special issue solved here is influence of formation of dep...
PROSPECTS OF MANAGEMENT ACCOUNTING AND COST CALCULATION
Marian ŢAICU
2014-01-01
Progress in improving production technology requires appropriate measures to achieve an efficient management of costs. This raises the need for continuous improvement of management accounting and cost calculation. Accounting information in general, and management accounting information in particular, have gained importance in the current economic conditions, which are characterized by risk and uncertainty. The future development of management accounting and cost calculation is essential to me...
Thermodynamic calculation of a district energy cycle
This paper presents a calculation model for a nuclear district energy circuit. Such a circuit means the combination of a steam reforming plant with heat supply from a high-temperature nuclear reactor and a methanation plant with heat production for district heating or electricity production. The model comprises thermodynamic calculations for the endothermic methane reforming reaction as well as the exothermic CO-hydrogenation in adiabatic reactors and allows the optimization of the district energy circuit under consideration. (orig.)
Towards Density Functional Calculations from Nuclear Forces
Schwenk, A; Polonyi, J.
2004-01-01
We propose a method for microscopic calculations of nuclear ground-state properties in the framework of density functional theory. We discuss how the density functional is equivalent to the effective action for the density, thereby establishing a constructive framework for density functional calculations from nuclear forces. The presented approach starts from non-interacting nucleons in a background potential (a simple approximation for the mean field). The nuclear forces are then gradually t...
A revised calculational model for fission
Atchison, F.
1998-09-01
A semi-empirical parametrization has been developed to calculate the fission contribution to evaporative de-excitation of nuclei with a very wide range of charge, mass and excitation-energy and also the nuclear states of the scission products. The calculational model reproduces measured values (cross-sections, mass distributions, etc.) for a wide range of fissioning systems: Nuclei from Ta to Cf, interactions involving nucleons up to medium energy and light ions. (author)
Characteristic parameters of drift chambers calculation
We present here the methods we used to analyse the characteristic parameters of drift chambers. The algorithms to calculate the electric potential in any point for any drift chamber geometry are presented. We include the description of the programs used to calculate the electric field, the drift paths, the drift velocity and the drift time. The results and the errors are discussed. (Author) 7 refs
Green's function calculations of light nuclei
Sun, ZhongHao; Wu, Qiang; Xu, FuRong
2016-09-01
The influence of short-range correlations in nuclei was investigated with realistic nuclear force. The nucleon-nucleon interaction was renormalized with V lowk technique and applied to the Green's function calculations. The Dyson equation was reformulated with algebraic diagrammatic constructions. We also analyzed the binding energy of 4He, calculated with chiral potential and CD-Bonn potential. The properties of Green's function with realistic nuclear forces are also discussed.
Core-wide calculations by HELIOS code
The transport method of HELIOS is called the CCCP method, because it is based on current coupling and collision probabilities. The system to be calculated consists of space elements that are coupled with each other and with the boundaries by interface currents. The angular dependence of the interface or coupling currents can be discretized in various ways. This is done by partitioning the directional half-sphere into a number of θ polar levels, and each θ level into a number of φ azimuthal intervals. In two dimensional calculations the discretization of the azimuthal level is dominant. In the last issue of the HELIOS code (version 1.10) the maximum value of azimuthal discretization is increased from 4 to 12. This gives the possibility to calculate large (core-wide or near core-wide) systems with appropriate accuracy, which extends the applicability of the HELIOS program. This paper presents the experience gained from HELIOS calculations of large systems having several WWER-440 assemblies. The examined parameter is the core-wide power distribution, which was inadequately calculated by former versions of HELIOS. The application of high azimuthal discretization gives substantial improvement in accuracy, compared to reference solutions calculated by MCNP Monte-Carlo code. Although HELIOS is designed to calculate assembly-wide systems, it is now applicable to core-wide systems. Using its possibilities, the area of application is extended to calculate reference solutions for core-wide programs or to examine spectral changes of few-group cross sections due to burnup in real situations. Some potential areas of application are presented in the paper, together with the limitations of those applications. (Author)
Subsurface Shielding Source Term Specification Calculation
The purpose of this calculation is to establish appropriate and defensible waste-package radiation source terms for use in repository subsurface shielding design. This calculation supports the shielding design for the waste emplacement and retrieval system, and subsurface facility system. The objective is to identify the limiting waste package and specify its associated source terms including source strengths and energy spectra. Consistent with the Technical Work Plan for Subsurface Design Section FY 01 Work Activities (CRWMS M and O 2001, p. 15), the scope of work includes the following: (1) Review source terms generated by the Waste Package Department (WPD) for various waste forms and waste package types, and compile them for shielding-specific applications. (2) Determine acceptable waste package specific source terms for use in subsurface shielding design, using a reasonable and defensible methodology that is not unduly conservative. This calculation is associated with the engineering and design activity for the waste emplacement and retrieval system, and subsurface facility system. The technical work plan for this calculation is provided in CRWMS M and O 2001. Development and performance of this calculation conforms to the procedure, AP-3.12Q, Calculations
Application of backtracking algorithm to depletion calculations
Based on the theory of linear chain method for analytical depletion calculations, the burn-up matrix is decoupled by the divide and conquer strategy and the linear chain with Markov characteristic is formed. The density, activity and decay heat of every nuclide in the chain can be calculated by analytical solutions. Every possible reaction path of the nuclide must be considered during the linear chain establishment process. To confirm the calculation precision and efficiency, the algorithm which can cover all the reaction paths of the nuclide and search the paths automatically according to to problem description and precision restrictions should be sought. Through analysis and comparison of several kinds of searching algorithms, the backtracking algorithm was selected to search and calculate the linear chains using Depth First Search (DFS) method. The depletion program can solve the depletion problem adaptively and with high fidelity. The solution space and time complexity of the program were analyzed. The new developed depletion program was coupled with Monte Carlo program MCMG-II to calculate the benchmark burn-up problem of the first core of China Experimental Fast Reactor (CEFR). The initial verification and validation of the program was performed by the calculation. (author)
Multigroup neutron dose calculations for proton therapy
We have developed tools for the preparation of coupled multigroup proton/neutron cross section libraries. Our method is to use NJOY to process evaluated nuclear data files for incident particles below 150 MeV and MCNPX to produce data for higher energies. We modified the XSEX3 program of the MCNPX code system to produce Legendre expansions of scattering matrices generated by sampling the physics models that are comparable to the output of the GROUPR routine of NJOY. Our code combines the low and high energy scattering data with user input stopping powers and energy deposition cross sections that we also calculated using MCNPX. Our code also calculates momentum transfer coefficients for the library and optionally applies an energy straggling model to the scattering cross sections and stopping powers. The motivation was initially for deterministic solution of space radiation shielding calculations using Attila, but noting that proton therapy treatment planning may neglect secondary neutron dose assessments because of difficulty and expense, we have also investigated the feasibility of multi group methods for this application. We have shown that multigroup MCNPX solutions for secondary neutron dose compare well with continuous energy solutions and are obtainable with less than half computational cost. This efficiency comparison neglects the cost of preparing the library data, but this becomes negligible when distributed over many multi group calculations. Our deterministic calculations illustrate recognized obstacles that may have to be overcome before discrete ordinates methods can be efficient alternatives for proton therapy neutron dose calculations
Software program for teletherapy dosimetry calculations
Using this program, one can calculate the routine treatment time, TDF, CRE and output calibration. For treatment time calculations, the central axis depth dose values (BJR Suppl. No.25, 1996) for square fields, the output values for square fields, the wedge factor for corresponding angles and field sizes and tray factor for slotted and plain tray have to be fed into the database file. When the desired menu is selected, SSD or SAD, and required data for the treatment time calculations such as planned dose, planned fractions, number of fields, field size, depth of the tumor, with or without wedges, types of tray used in case of shielding and treatment date are entered and this program calculates and gives the result with parameters PDD/TAR, BSF, output of the machine. Also, the factors involved in the manipulation for the verification and self-satisfaction are displayed. The calculated treatment time will be accurate since it uses the current day decay correction. Print option is also available. All the data used for the calculations will be stored in a file so that one can read out at any instant, using the patients file menu
''FULL-CORE'' VVER-440 calculation benchmark
Because of the difficulties with experimental validation of power distribution predicted by macro-code on the pin by pin level we decided to prepare a calculation benchmark named ''FULL-CORE'' VVER-440. This benchmark is a two-dimensional (2D) calculation benchmark based on the VVER-440 reactor core cold state geometry with taking into account the geometry of explicit radial reflector. The main task of this benchmark is to test the pin by pin power distribution in fuel assemblies predicted by macro-codes that are used for neutron-physics calculations especially for VVER-440 reactors. The proposal of this benchmark was presented at the 21st Symposium of AER in 2011. The reference solution has been calculated by MCNP code using Monte Carlo method and the results have been published in the AER community. The results of reference calculation were presented at the 22nd Symposium of AER in 2012. In this paper we will compare the available macro-codes results of this calculation benchmark.
Multigroup neutron dose calculations for proton therapy
Kelsey Iv, Charles T [Los Alamos National Laboratory; Prinja, Anil K [Los Alamos National Laboratory
2009-01-01
We have developed tools for the preparation of coupled multigroup proton/neutron cross section libraries. Our method is to use NJOY to process evaluated nuclear data files for incident particles below 150 MeV and MCNPX to produce data for higher energies. We modified the XSEX3 program of the MCNPX code system to produce Legendre expansions of scattering matrices generated by sampling the physics models that are comparable to the output of the GROUPR routine of NJOY. Our code combines the low and high energy scattering data with user input stopping powers and energy deposition cross sections that we also calculated using MCNPX. Our code also calculates momentum transfer coefficients for the library and optionally applies an energy straggling model to the scattering cross sections and stopping powers. The motivation was initially for deterministic solution of space radiation shielding calculations using Attila, but noting that proton therapy treatment planning may neglect secondary neutron dose assessments because of difficulty and expense, we have also investigated the feasibility of multi group methods for this application. We have shown that multigroup MCNPX solutions for secondary neutron dose compare well with continuous energy solutions and are obtainable with less than half computational cost. This efficiency comparison neglects the cost of preparing the library data, but this becomes negligible when distributed over many multi group calculations. Our deterministic calculations illustrate recognized obstacles that may have to be overcome before discrete ordinates methods can be efficient alternatives for proton therapy neutron dose calculations.
Validation of dose calculation programmes for recycling
This report contains the results from an international project initiated by the SSI in 1999. The primary purpose of the project was to validate some of the computer codes that are used to estimate radiation doses due to the recycling of scrap metal. The secondary purpose of the validation project was to give a quantification of the level of conservatism in clearance levels based on these codes. Specifically, the computer codes RESRAD-RECYCLE and CERISE were used to calculate radiation doses to individuals during the processing of slightly contaminated material, mainly in Studsvik, Sweden. Calculated external doses were compared with measured data from different steps of the process. The comparison of calculations and measurements shows that the computer code calculations resulted in both overestimations and underestimations of the external doses for different recycling activities. The SSI draws the conclusion that the accuracy is within one order of magnitude when experienced modellers use their programmes to calculate external radiation doses for a recycling process involving material that is mainly contaminated with cobalt-60. No errors in the codes themselves were found. Instead, the inaccuracy seems to depend mainly on the choice of some modelling parameters related to the receptor (e.g., distance, time, etc.) and simplifications made to facilitate modelling with the codes (e.g., object geometry). Clearance levels are often based on studies on enveloping scenarios that are designed to cover all realistic exposure pathways. It is obvious that for most practical cases, this gives a margin to the individual dose constraint (in the order of 10 micro sievert per year within the EC). This may be accentuated by the use of conservative assumptions when modelling the enveloping scenarios. Since there can obviously be a fairly large inaccuracy in the calculations, it seems reasonable to consider some degree of conservatism when establishing clearance levels based on
Three dimensions transport calculations for PWR core
The objective of this work is to define improved 3-D core calculation methods based on the transport theory. These methods can be particularly useful and lead to more precise computations in areas of the core where anisotropy and steep flux gradients occur, especially near interface and boundary conditions and in regions of high heterogeneity (bundle with absorbent rods). In order to apply the transport theory a new method for calculating reflector constants has been developed, since traditional methods were only suited for 2-group diffusion core calculations and could not be extrapolated to transport calculations. In this thesis work, the new method for obtaining reflector constants is derived regardless of the number of energy groups and of the operator used. The core calculations results using the reflector constants thereof obtained have been validated on the EDF's power reactor Saint Laurent B1 with MOX loading. The advantages of a 3-D core transport calculation scheme have been highlighted as opposed to diffusion methods; there are a considerable number of significant effects and potential advantages to be gained in rod worth calculations for instance. These preliminary results obtained with on particular cycle will have to be confirmed by more systematic analysis. Accidents like MSLB (main steam line break) and LOCA (loss of coolant accident) should also be investigated and constitute challenging situations where anisotropy is high and/or flux gradients are steep. This method is now being validated for others EDF's PWRs' reactors, as well as for experimental reactors and other types of commercial reactors. (author)
Paramedics’ Ability to Perform Drug Calculations
Eastwood, Kathyrn J
2009-11-01
Full Text Available Background: The ability to perform drug calculations accurately is imperative to patient safety. Research into paramedics’ drug calculation abilities was first published in 2000 and for nurses’ abilities the research dates back to the late 1930s. Yet, there have been no studies investigating an undergraduate paramedic student’s ability to perform drug or basic mathematical calculations. The objective of this study was to review the literature and determine the ability of undergraduate and qualified paramedics to perform drug calculations.Methods: A search of the prehospital-related electronic databases was undertaken using the Ovid and EMBASE systems available through the Monash University Library. Databases searched included the Cochrane Central Register of Controlled Trials (CENTRAL, MEDLINE, CINAHL, JSTOR, EMBASE and Google Scholar, from their beginning until the end of August 2009. We reviewed references from articles retrieved.Results: The electronic database search located 1,154 articles for review. Six additional articles were identified from reference lists of retrieved articles. Of these, 59 were considered relevant. After reviewing the 59 articles only three met the inclusion criteria. All articles noted some level of mathematical deficiencies amongst their subjects.Conclusions: This study identified only three articles. Results from these limited studies indicate a significant lack of mathematical proficiency amongst the paramedics sampled. A need exists to identify if undergraduate paramedic students are capable of performing the required drug calculations in a non-clinical setting.[WestJEM. 2009;10:240-243.
On the relativistic calculation of spontaneous emission
In a recent work, Barut and Salamin (1988) have derived a method for calculating the relativistic decay rates in atoms, in a formulation of quantum electrodynamics based upon the electron's self-energy. The decay rate appears as the imaginary part of a formula giving a complex energy shift, the real part of the formula being the Lamb shift. The presence of the the decay rate in the imaginary part of a formula, giving an energy in its real part, may appear a bit strange. A confirmation of the Barut and Alamin calculation, by means of a quite different point of view, would be useful. Therefore in this work the Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method. This point of view is based on the balance between the energy released during the transitions of electrons from a higher state to a lower one, and the flux of the Poynting vector of the classical electromagnetic field, created by the electrons, through a sphere a large radius. The particularity of the present work lies in the direct calculation of the relativistic Dirac transition currents and the fact that the dipole and Pauli approximations are avoided. The quantum part of the relativistic calculation is based on the determination of the transition charge currents in the Darwin solutions of the Dirac equation. 13 refs
Good Practices in Free-energy Calculations
Pohorille, Andrew; Jarzynski, Christopher; Chipot, Christopher
2013-01-01
As access to computational resources continues to increase, free-energy calculations have emerged as a powerful tool that can play a predictive role in drug design. Yet, in a number of instances, the reliability of these calculations can be improved significantly if a number of precepts, or good practices are followed. For the most part, the theory upon which these good practices rely has been known for many years, but often overlooked, or simply ignored. In other cases, the theoretical developments are too recent for their potential to be fully grasped and merged into popular platforms for the computation of free-energy differences. The current best practices for carrying out free-energy calculations will be reviewed demonstrating that, at little to no additional cost, free-energy estimates could be markedly improved and bounded by meaningful error estimates. In energy perturbation and nonequilibrium work methods, monitoring the probability distributions that underlie the transformation between the states of interest, performing the calculation bidirectionally, stratifying the reaction pathway and choosing the most appropriate paradigms and algorithms for transforming between states offer significant gains in both accuracy and precision. In thermodynamic integration and probability distribution (histogramming) methods, properly designed adaptive techniques yield nearly uniform sampling of the relevant degrees of freedom and, by doing so, could markedly improve efficiency and accuracy of free energy calculations without incurring any additional computational expense.
Considering alternative calculations of weight suppression.
Schaumberg, Katherine; Anderson, Lisa M; Reilly, Erin E; Gorrell, Sasha; Anderson, Drew A; Earleywine, Mitch
2016-01-01
Weight suppression (WS)--the difference between an individual's highest adult weight and current weight-relates to eating pathology and weight gain; however, there are several methodological issues associated with its calculation. The current study presents four alternative methods of calculating WS and tests whether these methods differentially relate to maladaptive outcomes. Alternative methods of calculation included: (1) change in BMI units; (2) BMI category change; (3) percent change in weight; and (4) two different uses of regression residuals. A sample of undergraduate students (N=631) completed self-report measures of eating pathology, current and past weight, and teasing. Measures included the Eating Disorder Examination-Questionnaire and the Perceptions of Teasing Scale. Results indicated that components of WS, current weight and highest weight, were strongly related in the present sample. The traditional method of calculating WS was related to eating pathology, binge eating and teasing for both males and females. However, WS indices orthogonal to the highest weight did not correlate with eating pathology and teasing in both males and females; for females, WS indices orthogonal to current weight were also unrelated to eating pathology. Findings suggest that the link between WS and eating pathology is mitigated after accounting for an individual's highest weight. Future research should continue to assess the reliability and clinical utility of this construct and consider using alternative WS calculations. PMID:26643591
Effective action calculation in lattice QCD
A method (called the effective action method) devised to make analytic calculations in Quantum Chromodynamics in the region of strong coupling is presented. First, the author deals with developing the calculation of a strong coupling expansion of the generating functional for gauge systems on a lattice with arbitrary sources. An accompanying manual describes the implementation of this calculation on a computer. The next step consists of substituting the expressions for the one-link free energies for a specific gauge group in the result of the previous calculation. This process of substitution, together with the replacement of the sources by a bilinear combination of fermion fields, is described for the group SU(3). More details on the implementation of the substitution scheme on a computer can be found in the accompanying manual. From the effective action thus obtained in terms of meson fields and baryon fields the Green functions of the theory can be derived. As an illustrative application the effective potential determining the vacuum expectation value of the meson field is calculated. (Auth.)
Spectroscopic calculation code ASPECT and its application
The Code ASPECT is available for calculations of electronic levels of atoms and ions by the intermediate coupling scheme. This scheme is characterized by the simultaneous diagonalization of Hamiltonians for electronic repulsion, spin orbit interaction and crystal field effect. ASPECT performs the sorting of microstates involved in the electronic configuration in problem, calculation of matrix elements of these Hamiltonians, and diagonalization of the summed matrix. As input data, the calculation needs only parameter values of Slater integrals. ASPECT is also applied to calculate transition probabilities between the electronic levels obtained by this code. ASPECT is particularly focused on complex configurations containing f-electrons as met in Lanthanides and Actinides, which are not easily treated by an algebraic method. For convenience of users, Slater integral values for configurations fn of Lanthanides and Actinides are installed in the code so that users may select merely the atomic number. This document is composed of three parts. The first part (Chapter 1-3) describes quantum mechanical principles to calculate matrix elements of each unperturbed Hamiltonian and transition probabilities. The second part (Chapter 4) explains the structure of the code, and the last part (Chapter 5) serves as the manual for applications of this code, in which some samples are included. The third part (Chapter 6) is added as supplement for users who will improve this code. (author)
PWR and WWER thorium cycle calculation
The first step of the investigation of the thorium fuel cycle with HELIOS 1.8 is validation of the results obtained from the code for this particular type of fuel. To complete this first task we performed calculation of the benchmark announced by IAEA in 1995. The benchmark was based on a simplified PWR model of the assembly with reduced fuel composition. This calculation was focused on a comparison of the methods and basic nuclear data. After successful validation of the code we focused our work on calculating the PWR and WWER thorium fuel cycles. The thorium cycle begins after the first use of UO2 fuel in the reactor as separation of plutonium from the burnt fuel. Separated plutonium is mixed with thorium and used as a new nuclear fuel in the reactor. For our calculation we prepared two variants of the assembly - the first variant is a homogeneous distribution and the second one is a non-homogenised distribution of thorium fuel in the assembly. The model of non-homogenised distribution of Pu-Th fuel was designed by replacing selected rods of the classical UO2 assembly by Pu-Th rods. These selected rods are distributed symmetrically in the assembly. Other rods in the assembly remain the same as in the classical UO2 assembly. The calculated and compared values are criticality and fuel composition as a function of burnup (Authors)
Application of backtracking algorithm to depletion calculations
Based on the theory of linear chain method for analytical depletion calculations, the burnup matrix is decoupled by the divide and conquer strategy and the linear chain with Markov characteristic is formed. The density, activity and decay heat of every nuclide in the chain then can be calculated by analytical solutions. Every possible reaction path of the nuclide must be considered during the linear chain establishment process. To confirm the calculation precision and efficiency, the algorithm which can cover all the reaction paths and search the paths automatically according to the problem description and precision restrictions should be found. Through analysis and comparison of several kinds of searching algorithms, the backtracking algorithm was selected to establish and calculate the linear chains in searching process using depth first search (DFS) method, forming an algorithm which can solve the depletion problem adaptively and with high fidelity. The complexity of the solution space and time was analyzed by taking into account depletion process and the characteristics of the backtracking algorithm. The newly developed depletion program was coupled with Monte Carlo program MCMG-Ⅱ to calculate the benchmark burnup problem of the first core of China Experimental Fast Reactor (CEFR) and the preliminary verification and validation of the program were performed. (authors)
Reactor perturbation calculations by Monte Carlo methods
Whilst Monte Carlo methods are useful for reactor calculations involving complicated geometry, it is difficult to apply them to the calculation of perturbation worths because of the large amount of computing time needed to obtain good accuracy. Various ways of overcoming these difficulties are investigated in this report, with the problem of estimating absorbing control rod worths particularly in mind. As a basis for discussion a method of carrying out multigroup reactor calculations by Monte Carlo methods is described. Two methods of estimating a perturbation worth directly, without differencing two quantities of like magnitude, are examined closely but are passed over in favour of a third method based on a correlation technique. This correlation method is described, and demonstrated by a limited range of calculations for absorbing control rods in a fast reactor. In these calculations control rod worths of between 1% and 7% in reactivity are estimated to an accuracy better than 10% (3 standard errors) in about one hour's computing time on the English Electric KDF.9 digital computer. (author)
LCEs for Naval Reactor Benchmark Calculations
The purpose of this engineering calculation is to document the MCNP4B2LV evaluations of Laboratory Critical Experiments (LCEs) performed as part of the Disposal Criticality Analysis Methodology program. LCE evaluations documented in this report were performed for 22 different cases with varied design parameters. Some of these LCEs (10) are documented in existing references (Ref. 7.1 and 7.2), but were re-run for this calculation file using more neutron histories. The objective of this analysis is to quantify the MCNP4B2LV code system's ability to accurately calculate the effective neutron multiplication factor (keff) for various critical configurations. These LCE evaluations support the development and validation of the neutronics methodology used for criticality analyses involving Naval reactor spent nuclear fuel in a geologic repository
Benchmarking calculations of excitonic couplings between bacteriochlorophylls
Kenny, Elise P
2015-01-01
Excitonic couplings between (bacterio)chlorophyll molecules are necessary for simulating energy transport in photosynthetic complexes. Many techniques for calculating the couplings are in use, from the simple (but inaccurate) point-dipole approximation to fully quantum-chemical methods. We compared several approximations to determine their range of applicability, noting that the propagation of experimental uncertainties poses a fundamental limit on the achievable accuracy. In particular, the uncertainty in crystallographic coordinates yields an uncertainty of about 20% in the calculated couplings. Because quantum-chemical corrections are smaller than 20% in most biologically relevant cases, their considerable computational cost is rarely justified. We therefore recommend the electrostatic TrEsp method across the entire range of molecular separations and orientations because its cost is minimal and it generally agrees with quantum-chemical calculations to better than the geometric uncertainty. We also caution ...
Calculation of electric fields in imperfect dielectrics
Filippov, A.A.
1985-07-01
No existing numerical method of calculating electric fields in kinetical form allows simultaneous consideration of bias current and conductivity current. This article suggests a modification of the method of integral equations allowing computation of the field in imperfect media. The use of the method is said to be more effective than the method of equivalent discharges. The method suggested allows computation of the field while simultaneously considering conductivity current and permeability current. It also allows determination of the frequency characteristics of high voltage apparatus. Furthermore, it can be used to calculate various transient processes if the applied voltage is expanded into a Fourier series and calculations are performed individually for each member of the series.
Calculating Young's modulus for a carbon nanotube
Alzubi, Feras; Cosby, Ronald
2008-10-01
Young's modulus for an armchair single-wall carbon nanotube was calculated using an atomistic approach and density functional theory (DFT). Atomic forces and total energies for strained carbon nanotube segments were computed using Atomistix's Virtual NanoLab (VNL) and ToolKit (ATK) software. For a maximum strain of one percent, elastic moduli were calculated using both force-strain and energy-strain data. The average values found for Young's modulus were in the range 1.2 to 3.9 TPa depending on the cross-sectional area taken for the carbon nanotube, consideration of Poisson's ratio, and the calculation method used. Three possible choices of cross-sectional area for the carbon nanotube are discussed and parameter and convergence tests for the DFT computations are described.
Thermalization Calculations in a Cylindrical Shell
An approximate, semi-analytical procedure for determining the distribution and energy spectrum of the thermal and epithermal neutron flux in a weakly neutron capturing, cylindrical shell medium is considered. The shell medium is taken to represent the moderator surrounding a fuel rod in a thermal reactor. The basis for calculating the flux in most of the moderator is the energy-dependent diffusion equation. Transient corrections to the diffusion approximation are added near the medium boundaries. The effects of adjoining media are taken into account through the boundary conditions imposed on the diffusion and transient fluxes. At the inner boundary these effects are calculated by collision probability methods. Activation fluxes are derived from the calculated neutron flux distributions and compared with measurements made in the D2O moderator surrounding a uranium metal rod in the ZEEP reactor. (author)
Automated one-loop calculations with GOSAM
We present the program package GoSam which is designed for the automated calculation of one-loop amplitudes for multi-particle processes in renormalisable quantum field theories. The amplitudes, which are generated in terms of Feynman diagrams, can be reduced using either D-dimensional integrand-level decomposition or tensor reduction. GoSam can be used to calculate one-loop QCD and/or electroweak corrections to Standard Model processes and offers the flexibility to link model files for theories Beyond the Standard Model. A standard interface to programs calculating real radiation is also implemented. We demonstrate the flexibility of the program by presenting examples of processes with up to six external legs attached to the loop. (orig.)
Multiloop Calculations In Perturbative Quantum Field Theory
Blokland, I R
2004-01-01
This thesis deals with high-precision calculations in perturbative quantum field theory. In conjunction with detailed experimental measurements, perturbative quantum field theory provides the quantitative framework with which much of modern particle physics is understood. The results of three new theoretical calculations are presented. The first is a definitive resolution of a recent controversy involving the interaction of a muon with a magnetic field. Specifically, the light-by-light scattering contribution to the anomalous magnetic moment of the muon is shown to be of positive sign, thereby decreasing the discrepancy between theory and experiment. Despite this adjustment to the theoretical prediction, the remaining discrepancy might be a subtle signature of new kinds of particles. The second calculation involves the energy levels of a bound state formed from two charged particles of arbitrary masses. By employing recently developed mass expansion techniques, new classes of solutions are obtained for proble...
Are limit cycle calculations a stochastic process?
Stochasticity is typically associated with processes that produce uncertain results which, in many cases, are due to process nonlinearities and/or extreme sensitivity to initial conditions. By its name, a stochastic process should have a probabilistic or random nature; however, it is well known that many if not all, of the processes that behave stochasticly are indeed deterministic. This is the case with computer calculations to predict the stability of boiling water reactors (BWRs). This paper attempts to introduce the reader to some of the ''stochastic'' uncertainties involved in this topic, and in particular the errors introduced by the approximations used to integrate numerically the solutions in the time domain. The knowledge of this type of errors is relevant not only in BWR stability calculations but also in time domain calculations involving nonlinear or stochastic processes
Computation cluster for Monte Carlo calculations
Two computation clusters based on Rocks Clusters 5.1 Linux distribution with Intel Core Duo and Intel Core Quad based computers were made at the Department of the Nuclear Physics and Technology. Clusters were used for Monte Carlo calculations, specifically for MCNP calculations applied in Nuclear reactor core simulations. Optimization for computation speed was made on hardware and software basis. Hardware cluster parameters, such as size of the memory, network speed, CPU speed, number of processors per computation, number of processors in one computer were tested for shortening the calculation time. For software optimization, different Fortran compilers, MPI implementations and CPU multi-core libraries were tested. Finally computer cluster was used in finding the weighting functions of neutron ex-core detectors of VVER-440. (authors)
Resolving resonances in R-matrix calculations
We present a technique to obtain detailed resonance structures from R-matrix calculations of atomic cross sections for both collisional and radiative processes. The resolving resonances (RR) method relies on the QB method of Quigley-Berrington (Quigley L, Berrington K A and Pelan J 1998 Comput. Phys. Commun. 114 225) to find the position and width of resonances directly from the reactance matrix. Then one determines the symmetry parameters of these features and generates an energy mesh whereby fully resolved cross sections are calculated with minimum computational cost. The RR method is illustrated with the calculation of the photoionization cross sections and the unified recombination rate coefficients of Fe XXIV, O VI, and Fe XVII. The RR method reduces numerical errors arising from unresolved R-matrix cross sections in the computation of synthetic bound-free opacities, thermally averaged collision strengths and recombination rate coefficients. (author)
Dose calculations for intakes of ore dust
This report describes a methodology for calculating the committed effective dose for mixtures of radionuclides, such as those which occur in natural radioactive ores and dusts. The formulae are derived from first principles, with the use of reasonable assumptions concerning the nature and behaviour of the radionuclide mixtures. The calculations are complicated because these 'ores' contain a range of particle sizes, have different degrees of solubility in blood and other body fluids, and also have different biokinetic clearance characteristics from the organs and tissues in the body. The naturally occurring radionuclides also tend to occur in series, i.e. one is produced by the radioactive decay of another 'parent' radionuclide. The formulae derived here can be used, in conjunction with a model such as LUDEP, for calculating total dose resulting from inhalation and/or ingestion of a mixture of radionuclides, and also for deriving annual limits on intake and derived air concentrations for these mixtures
Calculations for TRIGA ACPR with MCNPX
The purpose of the paper is to present an MCNP model for the TRIGA pulsed reactor (ACPR) operated by INR-Pitesti. MCNPX is a Fortran90 Monte Carlo radiation transport computer code that can be used in a broad range of applications for neutrons (and for a series of other particles, too) on a continuous (or discrete) energy domain. The reactor model created has been tested in different calculations, by comparing the bank control rods efficiency against experimental measurements, the prompt neutrons generation time and the effective fractions of delayed neutrons with the Safety Analysis Report parameters. Also, neutron flux in pulsed mode inside the experimental cavity have been calculated using the model and compared with results of flux measurements. Generally, the MCNPX model is used in static criticality calculations, to determine the reactor kinetics parameters and in the design of experiments. (authors)
Parallel scalability of Hartree–Fock calculations
Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree–Fock calculations. The construction of the Fock matrix and the density matrix calculation are analyzed separately. For the former, we use a parallelization of Fock matrix construction based on a static partitioning of work followed by a work stealing phase. For the latter, we use density matrix purification from the linear scaling methods literature, but without using sparsity. When using large numbers of nodes for moderately sized problems, density matrix computations are network-bandwidth bound, making purification methods potentially faster than eigendecomposition methods
Calculation system analysis for radiation shielding
This work consists of the computational system implementation for nuclear reactor shielding analysis. The system has as objectives to facilitate the installation of the calculation framework, problem set-up, and results analysis. Several computational programmes commonly used for cross-section preparation and radiation transport were chosen for the system. This work represents the capacity necessary for nuclear reactor and particle accelerator shielding design, to aid in nuclear experiments and in the utilization of nuclear techniques that require the radiation field calculation. The system was implemented in PC-DOS environment and consists of the necessary and sufficient programs and data for generation of the cross sections, groups constants, self-shielding factors, activation sources, for the calculation of neutron and gamma-ray fluence, dose rates, and other types of response functions. (author). 11 refs., 8 figs
Calculating the Charge of a Jet
Waalewijn, Wouter J
2012-01-01
Jet charge has played an important role in experimentally testing the Parton Model and the Standard Model, and has many potential LHC applications. The energy-weighted charge of a jet is not an infrared-safe quantity, so hadronization must be taken into account. Here we develop the formalism to calculate it, cleanly separating the nonperturbative from the perturbative physics, which we compute at one-loop order. We first study the average and width of the jet charge distribution, for which the nonperturbative input is related to (dihadron) fragmentation functions. In an alternative and novel approach, we consider the full nonperturbative jet charge distribution and calculate its evolution and jet algorithm corrections, which has a natural Monte Carlo-style implementation. Our numerical results are compared to Pythia and show reasonable agreement. This calculation can directly be extended to similar track-based observables, such as the total track momentum generated by an energetic parton.
FURNACE calculations for JET neutron diagnostics
Neutron transport calculations have been performed for the JET-torus, using the two-dimensional toroidal geometry transport code system FURNACE, to predict the response of the time integrated neutron yield monitors on the variation of the plasma conditions. Calculations have been performed for the full aperture D-shaped and circular plasmas, for DD-operation and for DT-operation. For the neutron source distribution a simple model was used based on plasma-plasma interaction. For the torus rotation symmetry around the main torus axis was assumed. Curves have been produced that give the radial plasma shift as function of the ratio of the foil activations measured. It is shown that these curves are sufficiently accurate for application in the DT-phase. For application in the DD-phase, however, the flux of neutrons backscattered from the massive torus needs to be calculated more accurately. (Auth.)
Automated one-loop calculations with GOSAM
Cullen, Gavin [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Greiner, Nicolas [Illinois Univ., Urbana-Champaign, IL (United States). Dept. of Physics; Max-Planck-Institut fuer Physik, Muenchen (Germany); Heinrich, Gudrun; Reiter, Thomas [Max-Planck-Institut fuer Physik, Muenchen (Germany); Luisoni, Gionata [Durham Univ. (United Kingdom). Inst. for Particle Physics Phenomenology; Mastrolia, Pierpaolo [Max-Planck-Institut fuer Physik, Muenchen (Germany); Padua Univ. (Italy). Dipt. di Fisica; Ossola, Giovanni [New York City Univ., NY (United States). New York City College of Technology; New York City Univ., NY (United States). The Graduate School and University Center; Tramontano, Francesco [European Organization for Nuclear Research (CERN), Geneva (Switzerland)
2011-11-15
We present the program package GoSam which is designed for the automated calculation of one-loop amplitudes for multi-particle processes in renormalisable quantum field theories. The amplitudes, which are generated in terms of Feynman diagrams, can be reduced using either D-dimensional integrand-level decomposition or tensor reduction. GoSam can be used to calculate one-loop QCD and/or electroweak corrections to Standard Model processes and offers the flexibility to link model files for theories Beyond the Standard Model. A standard interface to programs calculating real radiation is also implemented. We demonstrate the flexibility of the program by presenting examples of processes with up to six external legs attached to the loop. (orig.)
Cosmology calculations almost without general relativity
Jordan, T F
2003-01-01
The Friedmann equation can be derived for a Newtonian universe. Changing mass density to energy density gives exactly the Friedmann equation of general relativity. Accounting for work done by pressure then yields the two Einstein equations that govern the expansion of the universe. Descriptions and explanations of radiation pressure and vacuum pressure are added to complete a basic kit of cosmology tools. It provides a basis for teaching cosmology to undergraduates in a way that quickly equips them to do basic calculations. This is demonstrated with calculations involving: characteristics of the expansion for densities dominated by radiation, matter, or vacuum; the closeness of the density to the critical density; how much vacuum energy compared to matter energy is needed to make the expansion accelerate; and how little is needed to make it stop. Travel time and luninosity distance are calculated in terms of the redshift and the densities of matter and vacuum energy, using a scaled Friedmann equation with the...
Radiation transport calculations for Hiroshima and Nagasaki
The methods and data used to calculate the Hiroshima and Nagasaki prompt and delayed radiation fluences for the DS02 study represent a considerable improvement over the methods and data used for the DS86 study. During the intervening sixteen years, enhancements were made in the radiation transport codes and the nuclear data that are used to describe the migration of the neutrons and gamma rays from the bomb location through the intervening air and into, out of and off the surface of the ground. Increased computational capability permits better descriptions of the weapon source spectra and their extension to higher neutron and photon energies. The weapon leakage spectra were generated in the same neutron and gamma-ray energy structures that were used in the transport calculations. No interpolation or fitting of the leakage spectra was necessary, assuring consistent and accurate representations of the data were used in the transport calculations. (J.P.N.)
KENO-IV code benchmark calculation, (6)
A series of benchmark tests has been undertaken in JAERI in order to examine the capability of JAERI's criticality safety evaluation system consisting of the Monte Carlo calculation code KENO-IV and the newly developed multigroup constants library MGCL. The present report describes the results of a benchmark test using criticality experiments about Plutonium fuel in various shape. In all, 33 cases of experiments have been calculated for Pu(NO3)4 aqueous solution, Pu metal or PuO2-polystyrene compact in various shape (sphere, cylinder, rectangular parallelepiped). The effective multiplication factors calculated for the 33 cases distribute widely between 0.955 and 1.045 due to wide range of system variables. (author)
Benchmark calculation of CANDU end shielding system
Roh, Gyuhong; Choi, Hangbok [KAERI, Taejon (Korea, Republic of)
1998-05-01
A shielding analysis was performed for the end shield of CANDU 6 reactor. The one-dimensional discrete ordinate code ANISN with a 38-group neutron-gamma library, extracted from DLC-37D library, was used to estimate the dose rate for the natural uranium CANDU reactor. For comparison, MCNP-4B calculation was performed for the same system using continuous, discrete and multi-group libraries. The comparison has shown that the total dose rate of the ANISN calculation agrees well with that of the MCNP calculation. However, the individual dose rate (neutron and gamma) has shown opposite trends between ANISN and MCNP estimates, which may require a consistent library generation for both codes.
Use of quadratic components for buckling calculations
Dohrmann, C.R.; Segalman, D.J. [Sandia National Labs., Albuquerque, NM (United States). Structural Dynamics Dept.
1996-12-31
A buckling calculation procedure based on the method of quadratic components is presented. Recently developed for simulating the motion of rotating flexible structures, the method of quadratic components is shown to be applicable to buckling problems with either conservative or nonconservative loads. For conservative loads, stability follows from the positive definiteness of the system`s stiffness matrix. For nonconservative loads, stability is determined by solving a nonsymmetric eigenvalue problem, which depends on both the stiffness and mass distribution of the system. Buckling calculations presented for a cantilevered beam are shown to compare favorably with classical results. Although the example problem is fairly simple and well-understood, the procedure can be used in conjunction with a general-purpose finite element code for buckling calculations of more complex systems.
Note about socio-economic calculations
Landex, Alex; Andersen, Jonas Lohmann Elkjær; Salling, Kim Bang
2006-01-01
This note gives a short introduction of how to make socio-economic evaluations in connection with the teaching at the Centre for Traffic and Transport (CTT). It is not a manual for making socio-economic calculations in transport infrastructure projects – in this context we refer to the guidelines...... for socio-economic calculations within the transportation area (Ministry of Traffic, 2003). The note also explains the theory of socio-economic calculations – reference is here made to ”Road Infrastructure Planning – a Decision-oriented approach” (Leleur, 2000). Socio-economic evaluations of...... infrastructure projects are common and can be made at different levels of detail depending on the type of project and the decision making phase. A common feature of the different levels of detail of the socio-economic analysis is that the planned project(s) is compared with a basic; the basic alternative or a...
Challenges in Large Scale Quantum Mechanical Calculations
Ratcliff, Laura E; Huhs, Georg; Deutsch, Thierry; Masella, Michel; Genovese, Luigi
2016-01-01
During the past decades, quantum mechanical methods have undergone an amazing transition from pioneering investigations of experts into a wide range of practical applications, made by a vast community of researchers. First principles calculations of systems containing up to a few hundred atoms have become a standard in many branches of science. The sizes of the systems which can be simulated have increased even further during recent years, and quantum-mechanical calculations of systems up to many thousands of atoms are nowadays possible. This opens up new appealing possibilities, in particular for interdisciplinary work, bridging together communities of different needs and sensibilities. In this review we will present the current status of this topic, and will also give an outlook on the vast multitude of applications, challenges and opportunities stimulated by electronic structure calculations, making this field an important working tool and bringing together researchers of many different domains.
Method for consequence calculations for severe accidents
This report was commissioned by the Swedish State Power Board. The report contains a calculation of radiation doses in the surroundings caused by a theoretical core meltdown accident at Forsmark reactor No 3. The assumption used for the calculations were a 0.06% release of iodine and cesium corresponding to a 0.1% release through the FILTRA plant at Barsebaeck. The calculations were made by means of the PLUCON4 code. Meteorological data for two years from the Forsmark meteorological tower were analysed to find representative weather situations. As typical weather pasquill D was chosen with wind speed 5 m/s, and as extreme weather, Pasquill F with wind speed 2 m/s. 23 tabs., 36 ills., 21 refs. (author)
LCEs for Naval Reactor Benchmark Calculations
W.J. Anderson
1999-07-19
The purpose of this engineering calculation is to document the MCNP4B2LV evaluations of Laboratory Critical Experiments (LCEs) performed as part of the Disposal Criticality Analysis Methodology program. LCE evaluations documented in this report were performed for 22 different cases with varied design parameters. Some of these LCEs (10) are documented in existing references (Ref. 7.1 and 7.2), but were re-run for this calculation file using more neutron histories. The objective of this analysis is to quantify the MCNP4B2LV code system's ability to accurately calculate the effective neutron multiplication factor (k{sub eff}) for various critical configurations. These LCE evaluations support the development and validation of the neutronics methodology used for criticality analyses involving Naval reactor spent nuclear fuel in a geologic repository.
The new pooled cohort equations risk calculator
Preiss, David; Kristensen, Søren L
2015-01-01
total cardiovascular risk score. During development of joint guidelines released in 2013 by the American College of Cardiology (ACC) and American Heart Association (AHA), the decision was taken to develop a new risk score. This resulted in the ACC/AHA Pooled Cohort Equations Risk Calculator. This risk...... calculator, based on major National Heart, Lung, and Blood Institute-funded cohort studies, is designed to predict 10-year risk of 'hard' atherosclerotic cardiovascular disease (ASCVD) events, namely, nonfatal myocardial infarction, fatal coronary heart disease, nonfatal, or fatal stroke. Considerable...... disease and any measure of social deprivation. An early criticism of the Pooled Cohort Equations Risk Calculator has been its alleged overestimation of ASCVD risk which, if confirmed in the general population, is likely to result in statin therapy being prescribed to many individuals at lower risk than...
Multiloop calculations in perturbative quantum field theory
Blokland, Ian Richard
This thesis deals with high-precision calculations in perturbative quantum field theory. In conjunction with detailed experimental measurements, perturbative quantum field theory provides the quantitative framework with which much of modern particle physics is understood. The results of three new theoretical calculations are presented. The first is a definitive resolution of a recent controversy involving the interaction of a muon with a magnetic field. Specifically, the light-by-light scattering contribution to the anomalous magnetic moment of the muon is shown to be of positive sign, thereby decreasing the discrepancy between theory and experiment. Despite this adjustment to the theoretical prediction, the remaining discrepancy might be a subtle signature of new kinds of particles. The second calculation involves the energy levels of a bound state formed from two charged particles of arbitrary masses. By employing recently developed mass expansion techniques, new classes of solutions are obtained for problems in a field of particle physics with a very rich history. The third calculation provides an improved prediction for the decay of a top quark. In order to obtain this result, a large class of multiloop integrals has been solved for the first time. Top quark decay is just one member of a family of interesting physical processes to which these new results apply. Since specialized calculational techniques are essential ingredients in all three calculations, they are motivated and explained carefully in this thesis. These techniques, once automated with symbolic computational software, have recently opened avenues of solution to a wide variety of important problems in particle physics.
Willow growing - Methods of calculation and profitability
The calculation method presented here makes it possible to conduct profitability comparisons between annual and perennial crops and in addition take the planning situation into account. The method applied is a modified total step calculation. The difference between a traditional total step calculation and the modified version is the way in which payments and disbursements are taken into account over a period of several years. This is achieved by combining the present value method and the annuity method. The choice of interest rate has great bearing on the result in perennial calculations. The various components influencing the interest rate are analysed and factors relating to the establishment of the interest rate in different situations are described. The risk factor can be an important variable component of the interest rate calculation. Risk is also addressed from an approach in accordance with portfolio theory. The application of the methods sheds light on the profitability of Salix cultivation from the viewpoint of business economics, and also how different factors influence the profitability of Salix cultivation. Aspects studied are harvesting intervals, the importance of yield level, the competitiveness of Salix versus grain cultivation, the influence of income taxes on profitability etc. Methods for evaluation of activities concerning cultivation of a perennial crop are described and also involve the application of nitrogen fertilization to Salix cultivation. Studies have been performed using these methods to look into nitrogen fertilizer profitability in Salix cultivation during the first rotation period. Nitrogen fertilizer profitability has been investigated involving both production functions and cost calculations, taking the year fertilization into consideration. 72 refs., 2 figs., 52 tabs
Necessity of Exact Calculation for Transition Probability
LIU Fu-Sui; CHEN Wan-Fang
2003-01-01
This paper shows that exact calculation for transition probability can make some systems deviate fromFermi golden rule seriously. This paper also shows that the corresponding exact calculation of hopping rate inducedby phonons for deuteron in Pd-D system with the many-body electron screening, proposed by Ichimaru, can explainthe experimental fact observed in Pd-D system, and predicts that perfection and low-dimension of Pd lattice are veryimportant for the phonon-induced hopping rate enhancement in Pd-D system.
Calculation of radiative transition probabilities and lifetimes
Zemke, W. T.; Verma, K. K.; Stwalley, W. C.
1982-01-01
Procedures for calculating bound-bound and bound-continuum (free) radiative transition probabilities and radiative lifetimes are summarized. Calculations include rotational dependence and R-dependent electronic transition moments (no Franck-Condon or R-centroid approximation). Detailed comparisons of theoretical results with experimental measurements are made for bound-bound transitions in the A-X systems of LiH and Na2. New bound-free results are presented for LiH. New bound-free results and comparisons with very recent fluorescence experiments are presented for Na2.
Intrication et Imperfections dans le Calcul Quantique
Pomeransky, Andrei
2004-01-01
L'information quantique est un nouveau domaine de la physique, qui consiste à employer les systèmes quantiques dans le calcul et la transmission de l'information. Cette thèse est consacrée à l'étude de certains aspects théoriques de l'information quantique. Les ordinateurs quantiques utilisent les lois de la mécanique quantique pour exécuter des calculs d'une manière bien plus efficace que les ordinateurs existants. Les ordinateurs quantiques envisageables dans la pratique seraient influencés...
Doing mathematics convention, subject, calculation, analogy
Krieger, Martin H
2003-01-01
This book discusses some ways of doing mathematical work and the subject matter that is being worked upon and created. It argues that the conventions we adopt, the subject areas we delimit, what we can prove and calculate about the physical world, and the analogies that work for mathematicians - all depend on mathematics, what will work out and what won't. And the mathematics, as it is done, is shaped and supported, or not, by convention, subject matter, calculation, and analogy. The cases studied include the central limit theorem of statistics, the sound of the shape of a drum, the connection
Residual regularities in liquid drop mass calculations
A systematic study of correlations in the chart of nuclear masses calculated using the finite range droplet model of Moeller et al. is presented. It is shown that the differences between the calculated and measured masses have a well defined oscillatory component as function of the proton and neutron numbers, which can be removed with an appropriate fit, concentrating the error distribution on a single peak around zero. The presence of this regular residual correlations suggests that the Strutinsky method of including microscopic fluctuations in nuclear masses could be improved
Numerical calculation of second order perturbations
We numerically solve the Klein-Gordon equation at second order in cosmological perturbation theory in closed form for a single scalar field, describing the method employed in detail. We use the slow-roll version of the second order source term and argue that our method is extendable to the full equation. We consider two standard single field models and find that the results agree with previous calculations using analytic methods, where comparison is possible. Our procedure allows the evolution of second order perturbations in general and the calculation of the non-linearity parameter fNL to be examined in cases where there is no analytical solution available
Heat Exchanger Support Bracket Design Calculations
This engineering note documents the design of the heat exchanger support brackets. The heat exchanger is roughly 40 feet long, 22 inches in diameter and weighs 6750 pounds. It will be mounted on two identical support brackets that are anchored to a concrete wall. The design calculations were done for one bracket supporting the full weight of the heat exchanger, rounded up to 6800 pounds. The design follows the American Institute of Steel Construction (AISC) Manual of steel construction, Eighth edition. All calculated stresses and loads on welds were below allowables.
New tool for standardized collector performance calculations
Perers, Bengt; Kovacs, Peter; Olsson, Marcus;
2011-01-01
A new tool for standardized calculation of solar collector performance has been developed in cooperation between SP Technical Research Institute Sweden, DTU Denmark and SERC Dalarna University. The tool is designed to calculate the annual performance for a number of representative cities in Europe...... on the basis of parameters from collector tests performed according to EN12975, without any intermediate conversions. The main target group for this tool is test institutes and certification bodies that intend to use it for conversion of collector model parameters derived from performance tests, into a more...
MCNP calculations in decommissioning of VVER-440
The paper briefly describes the issue of neutron fluence and radionuclide inventory determination in components of decommissioned nuclear power plants with emphasis on VVER-440 reactor type. According to induced activity calculation, it will be possible to optimize the time frame and choose the appropriate dismantling procedure during the disposal of reactor internal and external components in the decommissioning of a nuclear power plant. Prerequisite for this calculation is the collection of reactor operation data. In this paper, abilities of MCNP5 and MCNPX codes in this field are presented. (authors)
Molecular transport calculations with Wannier Functions
Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel
2005-01-01
We present a scheme for calculating coherent electron transport in atomic-scale contacts. The method combines a formally exact Green's function formalism with a mean-field description of the electronic structure based on the Kohn-Sham scheme of density functional theory. We use an accurate plane......-wave electronic structure method to calculate the eigenstates which are subsequently transformed into a set of localized Wannier functions (WFs). The WFs provide a highly efficient basis set which at the same time is well suited for analysis due to the chemical information contained in the WFs. The method is...
BEGAFIP. Programming service, development and benchmark calculations
This report summarizes improvements to BEGAFIP (the Swedish equivalent to the Oak Ridge computer code ORIGEN). The improvements are: addition of a subroutine making it possible to calculate neutron sources, exchange of fission yields and branching ratios in the data library to those published by Meek and Rider in 1978. In addition, BENCHMARK-calculations have been made with BEGAFIP as well as with ORIGEN regarding the build-up of actinides for a fuel burnup of 33 MWd/kg U. The results were compared to those arrived upon from the more sophisticated code CASMO. (author)
Transmission pipeline calculations and simulations manual
Menon, E Shashi
2014-01-01
Transmission Pipeline Calculations and Simulations Manual is a valuable time- and money-saving tool to quickly pinpoint the essential formulae, equations, and calculations needed for transmission pipeline routing and construction decisions. The manual's three-part treatment starts with gas and petroleum data tables, followed by self-contained chapters concerning applications. Case studies at the end of each chapter provide practical experience for problem solving. Topics in this book include pressure and temperature profile of natural gas pipelines, how to size pipelines for specified f
Numerical calculation of impurity charge state distributions
Crume, E. C.; Arnurius, D. E.
1977-09-01
The numerical calculation of impurity charge state distributions using the computer program IMPDYN is discussed. The time-dependent corona atomic physics model used in the calculations is reviewed, and general and specific treatments of electron impact ionization and recombination are referenced. The complete program and two examples relating to tokamak plasmas are given on a microfiche so that a user may verify that his version of the program is working properly. In the discussion of the examples, the corona steady-state approximation is shown to have significant defects when the plasma environment, particularly the electron temperature, is changing rapidly.
Relaxation Method For Calculating Quantum Entanglement
Tucci, R R
2001-01-01
In a previous paper, we showed how entanglement of formation can be defined as a minimum of the quantum conditional mutual information (a.k.a. quantum conditional information transmission). In classical information theory, the Arimoto-Blahut method is one of the preferred methods for calculating extrema of mutual information. We present a new method akin to the Arimoto-Blahut method for calculating entanglement of formation. We also present several examples computed with a computer program called Causa Comun that implements the ideas of this paper.
A method for tokamak neutronics calculations
This paper presents a new method for neutron transport calculation in tokamak fusion reactors. The computational procedure is based on the solution of the even-parity transport equation in a toroidal geometry. The angular neutron distribution is treated by even-parity spherical harmonic expansion, while the spatial dependence is approximated by using R-function finite elements that are defined for regions of arbitrary geometric shape. In order to test the method, calculation of a simplified tokamak model is carried out. The results are compared with the results from the literature and for the same order of accuracy a reduction of the number of spatial unknowns is shown. (author)
Recursive Delay Calculation Unit for Parametric Beamformer
Nikolov, Svetoslav; Jensen, Jørgen Arendt; Tomov, Borislav Gueorguiev
2006-01-01
hardware implementation. One delaycalculation unit (DCU) needs 4 parameters, and all operations can be implemented using fixed-point arithmetics. An N -channel system needs N + 1 DCUs per line - one for the distance from the transmit origin to the image point and N for the distances from the image point to...... each of the receivers. Each DCU recursively calculates the square of the distance between a transducer element and a point on the beamformed line. Then it finds the approximate square root. The distance to point i is used as an initial guess for point i + 1. Using fixed-point calculations with 36-bit...
COVE 2A Benchmarking calculations using NORIA
Six steady-state and six transient benchmarking calculations have been performed, using the finite element code NORIA, to simulate one-dimensional infiltration into Yucca Mountain. These calculations were made to support the code verification (COVE 2A) activity for the Yucca Mountain Site Characterization Project. COVE 2A evaluates the usefulness of numerical codes for analyzing the hydrology of the potential Yucca Mountain site. Numerical solutions for all cases were found to be stable. As expected, the difficulties and computer-time requirements associated with obtaining solutions increased with infiltration rate. 10 refs., 128 figs., 5 tabs
Calculation of tolerances in accelerating structures
A method is suggested for calculating tolerances for similar elements of an accelerating-focusing channel of a charged particle linac the particle dynamics in which is described by linear or non-linear equations. Tolerances for each drift tube of the accelerating structure with modified variable-phase focusing are determined with respect to tolerances for the output parameters of an accelerated beam at preset lengths of drift tubes. The tolerances obtained in supposition of equal effects, equal tolerances and those accounting for the cost of fabrication and assembling of the elements of the structure are compared. The algorithm suggested can also be used for calculating tolerances in structures with hard focusing
Radiological Dose Calculations for Fusion Facilities
Michael L. Abbott; Lee C. Cadwallader; David A. Petti
2003-04-01
This report summarizes the results and rationale for radiological dose calculations for the maximally exposed individual during fusion accident conditions. Early doses per unit activity (Sieverts per TeraBecquerel) are given for 535 magnetic fusion isotopes of interest for several release scenarios. These data can be used for accident assessment calculations to determine if the accident consequences exceed Nuclear Regulatory Commission and Department of Energy evaluation guides. A generalized yearly dose estimate for routine releases, based on 1 Terabecquerel unit releases per radionuclide, has also been performed using averaged site parameters and assumed populations. These routine release data are useful for assessing designs against US Environmental Protection Agency yearly release limits.
Calculated Electron Fluxes at Airplane Altitudes
Schaefer, R K; Stanev, T
1993-01-01
A precision measurement of atmospheric electron fluxes has been performed on a Japanese commercial airliner (Enomoto, {\\it et al.}, 1991). We have performed a monte carlo calculation of the cosmic ray secondary electron fluxes expected in this experiment. The monte carlo uses the hadronic portion of our neutrino flux cascade program combined with the electromagnetic cascade portion of the CERN library program GEANT. Our results give good agreement with the data, provided we boost the overall normalization of the primary cosmic ray flux by 12\\% over the normalization used in the neutrino flux calculation.
Tank Z-361 dose rate calculations
Neutron and gamma ray dose rates were calculated above and around the 6-inch riser of tank Z-361 located at the Plutonium Finishing Plant. Dose rates were also determined off of one side of the tank. The largest dose rate 0.029 mrem/h was a gamma ray dose and occurred 76.2 cm (30 in.) directly above the open riser. All other dose rates were negligible. The ANSI/ANS 1991 flux to dose conversion factor for neutrons and photons were used in this analysis. Dose rates are reported in units of mrem/h with the calculated uncertainty shown within the parentheses
Validation of BGCore System for Burnup Calculations
BGCore is a software package for comprehensive computer simulation of nuclear reactor systems and their fuel cycles. BGCore interfaces the Monte Carlo particles transport code MCNP4C with a SARAF module - an independently developed code for calculating fuel composition during irradiation and spent fuel emissions following discharge. In BGCore system, depletion coupling methodology is based on the multi-group approach that significantly reduces computation time and allows tracking of large number of nuclides during calculations. The objective of this study is validation of the BGCore system against well established and verified, state of the art computer codes for thermal and fast spectrum lattices
Ab initio valence calculations in chemistry
Cook, D B
1974-01-01
Ab Initio Valence Calculations in Chemistry describes the theory and practice of ab initio valence calculations in chemistry and applies the ideas to a specific example, linear BeH2. Topics covered include the Schrödinger equation and the orbital approximation to atomic orbitals; molecular orbital and valence bond methods; practical molecular wave functions; and molecular integrals. Open shell systems, molecular symmetry, and localized descriptions of electronic structure are also discussed. This book is comprised of 13 chapters and begins by introducing the reader to the use of the Schrödinge
Ammonia synthesis from first principles calculations
Honkala, Johanna Karoliina; Hellman, Anders; Remediakis, Ioannis; Logadottir, Ashildur; Carlsson, A.; Dahl, Søren; Christensen, Claus H.; Nørskov, Jens Kehlet
2005-01-01
. When the size distribution of ruthenium particles measured by transmission electron microscopy was used as the [ink between the catalyst material and the theoretical treatment, the calculated rate was within a factor of 3 to 20 of the experimental rate. This offers hope for computer-based methods in......The rate of ammonia synthesis over a nanoparticle ruthenium catalyst can be calculated directly on the basis of a quantum chemical treatment of the problem using density functional theory. We compared the results to measured rates over a ruthenium catalyst supported on magnesium aluminum spinet...
Program Calculates Power Demands Of Electronic Designs
Cox, Brian
1995-01-01
CURRENT computer program calculates power requirements of electronic designs. For given design, CURRENT reads in applicable parts-list file and file containing current required for each part. Program also calculates power required for circuit at supply potentials of 5.5, 5.0, and 4.5 volts. Written by use of AWK utility for Sun4-series computers running SunOS 4.x and IBM PC-series and compatible computers running MS-DOS. Sun version of program (NPO-19590). PC version of program (NPO-19111).
Precise calculations of the deuteron quadrupole moment
Gross, Franz L. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)
2016-06-01
Recently, two calculations of the deuteron quadrupole moment have have given predictions that agree with the measured value to within 1%, resolving a long-standing discrepancy. One of these uses the covariant spectator theory (CST) and the other chiral effective field theory (cEFT). In this talk I will first briefly review the foundations and history of the CST, and then compare these two calculations with emphasis on how the same physical processes are being described using very different language. The comparison of the two methods gives new insights into the dynamics of the low energy NN interaction.
Improving on calculation of martensitic phenomenological theory
无
2003-01-01
Exemplified by the martensitic transformation from DO3 to 18R in Cu-14.2Al-4.3Ni alloy and according to the principle that invariant-habit-plane can be obtained by self-accommodation between variants with twin relationships, and on the basis of displacement vector, volume fractions of two variants with twin relationships in martensitic transformation, habit-plane indexes, and orientation relationships between martensite and austenite after phase transformation can be calculated. Because no additional rotation matrixes are needed to be considered and mirror symmetric operations are used, the calculation process is simple and the results are accurate.
Microscopic optical model calculations and uncertainty estimates
Full text: The optical model is a basic ingredient of almost all reaction calculations. Therefore, a great effort has been devoted to its microscopic determination. Among the various attempts the nuclear matter approach with its various facets works surprisingly well even at low energies about 20 MeV. In the present contribution a comparison of elastic differential and integral cross sections and polarization data with theoretical results is given for structure materials. Possible procedures for assigning uncertainties to calculated observables are discussed. (author)
无
2002-01-01
The improved form of calculation formula for the activities of the components in binary liquids and solid alloys has been derived based on the free volume theory considering excess entropy and Miedema's model for calculating the formation heat of binary alloys. A calculation method of excess thermodynamic functions for binary alloys, the formulas of integral molar excess properties and partial molar excess properties for solid ordered or disordered binary alloys have been developed. The calculated results are in good agreement with the experimental values.
A method to calculate Fresnel lenses
In solar engineering, in contrast to image optics, Fresnel lenses are intended for securing the required concentrations of solar radiation and its distribution over a receiver's surface. It is also important to secure a high use coefficient of the concentrated flux. In particular, this defines the features of calculation of Fresnel lenses: it is necessary to take into account inaccuracies in fabrication of Fresnel lenses and solar radiation redistribution by means of selecting the respective parameters of Fresnel lens belts. In the present work, we examine the procedure for the calculating geometrical parameters of Fresnel lenses on a flat base by considering the mentioned requirements. A corresponding software for calculating the geometrical parameters and concentrating characteristics of the Fresnel lenses is developed, and examples of calculation are given. For a constant refractive index of Fresnel lens material, it is shown that the Fresnel lens can secure a concentration of about 1000, but in this case the optical efficiency of the Fresnel lens will not be higher than 70%. The procedure that has been developed may be the basic one for determining the parameters and concentrating characteristics of Fresnel lenses by considering refractive index variance. (author)
Conductance calculations with a wavelet basis set
Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel
2003-01-01
. The linear-response conductance is calculated from the Green's function which is represented in terms of a system-independent basis set containing wavelets with compact support. This allows us to rigorously separate the central region from the contacts and to test for convergence in a systematic way...
Complex Kohn calculations on an overset grid
Greenman, Loren; Lucchese, Robert; McCurdy, C. William
2016-05-01
An implentation of the overset grid method for complex Kohn scattering calculations is presented, along with static exchange calculations of electron-molecule scattering for small molecules including methane. The overset grid method uses multiple numerical grids, for instance Finite Element Method - Discrete Variable Representation (FEM-DVR) grids, expanded radially around multiple centers (corresponding to the individual atoms in each molecule as well as the center-of-mass of the molecule). The use of this flexible grid allows the complex angular dependence of the wavefunctions near the atomic centers to be well-described, but also allows scattering wavefunctions that oscillate rapidly at large distances to be accurately represented. Additionally, due to the use of multiple grids (and also grid shells), the method is easily parallelizable. The method has been implemented in ePolyscat, a multipurpose suite of programs for general molecular scattering calculations. It is interfaced with a number of quantum chemistry programs (including MolPro, Gaussian, GAMESS, and Columbus), from which it can read molecular orbitals and wavefunctions obtained using standard computational chemistry methods. The preliminary static exchange calculations serve as a test of the applicability.
Theory and calculation of the atomic photoeffect
Sabbatucci, Lorenzo; Salvat, Francesc
2016-04-01
The so-called elementary theory of the atomic photoeffect is presented in a form that is suited for practical numerical calculation of subshell cross sections and angular distributions of emitted photoelectrons. Atomic states are described within the independent-electron approximation, with bound and free one-electron orbitals that are solutions of the Dirac equation with the Dirac-Hartree-Fock-Slater self-consistent potential of the ground-state configuration. Detailed derivations are given of subshell cross sections for both excitation to discrete bound levels and ionization. In the case of ionization, the cross section differential in the direction of the photoelectron is obtained for partially polarized photons, with the polarization specified by means of the Stokes parameters. The theoretical formulas have been implemented in a computer program named PHOTACS that calculates tables of excitation and ionization cross sections for any element and subshell. Numerical calculations are practicable for excitations to final states with the principal quantum number up to about 20 and for ionization by photons with energy up to about 2 MeV. Elaborate extrapolation schemes for determining the subshell cross section for excitation to bound levels with larger principal quantum numbers and for ionization by photons with higher energies are described. The effect of the finite width of atomic energy levels is accounted for by convolving the calculated subshell cross-section with a Lorentzian profile.
Harmonic balance calculations by using matrices
Fergusson, N. J.; Leung, A. Y. T.
1995-05-01
The computation of the total and tangential stiffness matrices associated with the harmonic balance method for non-linear ordinary differential equations requires some complicated calculations involving double sums. Some matrix results are presented here that ease the associated book-keeping and allow the matrices to be programmed easily.
Normal mode calculations of trigonal selenium
Hansen, Flemming Yssing; McMurry, H. L.
1980-01-01
The phonon dispersion relations for trigonal selenium have been calculated on the basis of a short range potential field model. Electrostatic long range forces have not been included. The force field is defined in terms of symmetrized coordinates which reflect partly the symmetry of the space group...
Hawking temperature and higher order tunnelling calculations
Chatterjee, Bhramar
2009-01-01
Hawking radiation has recently been explained in terms of tunnelling across the black hole horizon in a Hamilton-Jacobi framework. Higher order calculations using both usual and non-singular coordinates are found to change the tunnelling amplitude, but this change is not a simple alteration of the Hawking temperature.
On the calculation of Mossbauer isomer shift
Filatov, Michael
2007-01-01
A quantum chemical computational scheme for the calculation of isomer shift in Mossbauer spectroscopy is suggested. Within the described scheme, the isomer shift is treated as a derivative of the total electronic energy with respect to the radius of a finite nucleus. The explicit use of a finite nuc
Paper-and-pencil cosmological calculator
Pilipenko, Sergey V
2013-01-01
The paper-and-pencil calculator is a cosmological nomogram which allows to find relations between redshift, distance, age of the Universe, physical and angular sizes, luminosity and apparent magnitude for the standard cosmological model with parameters from the Planck mission.
Block Tridiagonal Matrices in Electronic Structure Calculations
Petersen, Dan Erik
This thesis focuses on some of the numerical aspects of the treatment of the electronic structure problem, in particular that of determining the ground state electronic density for the non–equilibrium Green’s function formulation of two–probe systems and the calculation of transmission in the Lan...
Calculating uncertainties of safeguards indices: error propagation
Statistical methods play an important role in making references about a MUF, shipper-receiver difference, operator-inspector difference, and other safeguards indices. This session considers the sources and types of measurement errors and treats a specific example to illustrate how the variance of MUF is calculated for the model plant
A New Iterative Method to Calculate [pi
Dion, Peter; Ho, Anthony
2012-01-01
For at least 2000 years people have been trying to calculate the value of [pi], the ratio of the circumference to the diameter of a circle. People know that [pi] is an irrational number; its decimal representation goes on forever. Early methods were geometric, involving the use of inscribed and circumscribed polygons of a circle. However, real…
Calculating Free Energies Using Average Force
Darve, Eric; Pohorille, Andrew; DeVincenzi, Donald L. (Technical Monitor)
2001-01-01
A new, general formula that connects the derivatives of the free energy along the selected, generalized coordinates of the system with the instantaneous force acting on these coordinates is derived. The instantaneous force is defined as the force acting on the coordinate of interest so that when it is subtracted from the equations of motion the acceleration along this coordinate is zero. The formula applies to simulations in which the selected coordinates are either unconstrained or constrained to fixed values. It is shown that in the latter case the formula reduces to the expression previously derived by den Otter and Briels. If simulations are carried out without constraining the coordinates of interest, the formula leads to a new method for calculating the free energy changes along these coordinates. This method is tested in two examples - rotation around the C-C bond of 1,2-dichloroethane immersed in water and transfer of fluoromethane across the water-hexane interface. The calculated free energies are compared with those obtained by two commonly used methods. One of them relies on determining the probability density function of finding the system at different values of the selected coordinate and the other requires calculating the average force at discrete locations along this coordinate in a series of constrained simulations. The free energies calculated by these three methods are in excellent agreement. The relative advantages of each method are discussed.
Calculation code of the fission products activity
The document describes the two codes for the calculation of the fission products activity. The ''Pepin le bref'' code gives the exact value of the beta and gamma activities of completely known fission products. The code ''Plus Pepin'' introduces the beta and gamma activities whose properties are partially known. (A.L.B.)