Molecular orbital calculations using chemical graph theory
Dias, Jerry Ray
1993-01-01
Professor John D. Roberts published a highly readable book on Molecular Orbital Calculations directed toward chemists in 1962. That timely book is the model for this book. The audience this book is directed toward are senior undergraduate and beginning graduate students as well as practicing bench chemists who have a desire to develop conceptual tools for understanding chemical phenomena. Although, ab initio and more advanced semi-empirical MO methods are regarded as being more reliable than HMO in an absolute sense, there is good evidence that HMO provides reliable relative answers particularly when comparing related molecular species. Thus, HMO can be used to rationalize electronic structure in 1t-systems, aromaticity, and the shape use HMO to gain insight of simple molecular orbitals. Experimentalists still into subtle electronic interactions for interpretation of UV and photoelectron spectra. Herein, it will be shown that one can use graph theory to streamline their HMO computational efforts and to arrive...
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
Calculating Graph Algorithms for Dominance and Shortest Path
Sergey, Ilya; Midtgaard, Jan; Clarke, Dave
2012-01-01
We calculate two iterative, polynomial-time graph algorithms from the literature: a dominance algorithm and an algorithm for the single-source shortest path problem. Both algorithms are calculated directly from the definition of the properties by fixed-point fusion of (1) a least fixed point...... expressing all finite paths through a directed graph and (2) Galois connections that capture dominance and path length. The approach illustrates that reasoning in the style of fixed-point calculus extends gracefully to the domain of graph algorithms. We thereby bridge common practice from the school...... of program calculation with common practice from the school of static program analysis, and build a novel view on iterative graph algorithms as instances of abstract interpretation...
Spreadsheets, Graphing Calculators and the Line of Best Fit
Bernie O'Sullivan
2003-07-01
One technique that can now be done, almost mindlessly, is the line of best fit. Both the graphing calculator and the Excel spreadsheet produce models for collected data that appear to be very good fits, but upon closer scrutiny, are revealed to be quite poor. This article will examine one such case. I will couch the paper within the framework of a very good classroom investigation that will help generate students’ understanding of the basic principles of curve fitting and will enable them to produce a very accurate model of collected data by combining the technology of the graphing calculator and the spreadsheet.
Fostering Positive Attitude in Probability Learning Using Graphing Calculator
Tan, Choo-Kim; Harji, Madhubala Bava; Lau, Siong-Hoe
2011-01-01
Although a plethora of research evidence highlights positive and significant outcomes of the incorporation of the Graphing Calculator (GC) in mathematics education, its use in the teaching and learning process appears to be limited. The obvious need to revisit the teaching and learning of Probability has resulted in this study, i.e. to incorporate…
A Note for Graphing Calculators in the Fundamental Finance Course
Chen, Jeng-Hong
2011-01-01
The financial calculator is incorporated in finance education. In class, the instructor shows students how to use the financial calculator's function keys to solve time value of money (TVM) related problems efficiently. The fundamental finance course is required for all majors in the business school. Some students, especially…
Tajuddin, Nor'ain Mohd; Tarmizi, Rohani Ahmad; Konting, Mohd Majid; Ali, Wan Zah Wan
2009-01-01
This quasi-experimental study with non-equivalent control group post-test only design was conducted to investigate the effects of using graphing calculators in mathematics teaching and learning on Form Four Malaysian secondary school students' performance and their meta-cognitive awareness level. Graphing calculator strategy refers to the use of…
Precalculus Teachers' Perspectives on Using Graphing Calculators: An Example from One Curriculum
Karadeniz, Ilyas; Thompson, Denisse R.
2018-01-01
Graphing calculators are hand-held technological tools currently used in mathematics classrooms. Teachers' perspectives on using graphing calculators are important in terms of exploring what teachers think about using such technology in advanced mathematics courses, particularly precalculus courses. A descriptive intrinsic case study was conducted…
Promoting Graphical Thinking: Using Temperature and a Graphing Calculator to Teach Kinetics Concepts
Cortes-Figueroa, Jose E.; Moore-Russo, Deborah A.
2004-01-01
A combination of graphical thinking with chemical and physical theories in the classroom is encouraged by using the Calculator-Based Laboratory System (CBL) with a temperature sensor and graphing calculator. The theory of first-order kinetics is logically explained with the aid of the cooling or heating of the metal bead of the CBL's temperature…
Precalculus teachers' perspectives on using graphing calculators: an example from one curriculum
Karadeniz, Ilyas; Thompson, Denisse R.
2018-01-01
Graphing calculators are hand-held technological tools currently used in mathematics classrooms. Teachers' perspectives on using graphing calculators are important in terms of exploring what teachers think about using such technology in advanced mathematics courses, particularly precalculus courses. A descriptive intrinsic case study was conducted to analyse the perspectives of 11 teachers using graphing calculators with potential Computer Algebra System (CAS) capability while teaching Functions, Statistics, and Trigonometry, a precalculus course for 11th-grade students developed by the University of Chicago School Mathematics Project. Data were collected from multiple sources as part of a curriculum evaluation study conducted during the 2007-2008 school year. Although all teachers were using the same curriculum that integrated CAS into the instructional materials, teachers had mixed views about the technology. Graphing calculator features were used much more than CAS features, with many teachers concerned about the use of CAS because of pressures from external assessments. In addition, several teachers found it overwhelming to learn a new technology at the same time they were learning a new curriculum. The results have implications for curriculum developers and others working with teachers to update curriculum and the use of advanced technologies simultaneously.
Secondary School Teachers' Conceptions and Their Teaching Practices Using Graphing Calculators
Lee, Jane A.; McDougall, Douglas E.
2010-01-01
This article investigates secondary school teachers' conceptions of mathematics and their teaching practices in the use of graphing calculators in their mathematics classrooms. Case studies on three teacher participants were developed using quantitative and qualitative data that consisted of self-assessments on beliefs in mathematics,…
Specific features of the REDUCE system and calculation of QCD Feynman graphs
Dulyan, L.S.
1990-01-01
The ways and methods used in calculation of one class of the QCD Feynman graphs with the help of the REDUCE system are described. It is shown how by introducing new constructions and operations the user could avoid difficulties connected with specific restrictions and features of the REDUCE system
Examining Graphing Calculator Affordances in Learning Pre-Calculus among Undergraduate Students
Nzuki, Francis
2016-01-01
This study examines graphing calculator affordances in learning mathematics among college precalculus students. The study draws from the Cognitive Load Theory (CLT) and the "Intelligent Technology" theoretical framework proposed by Salomon, Perkins, and Globerson (1991). From these perspectives the effects "with" the graphing…
Graph theoretical calculation of systems reliability with semi-Markov processes
Widmer, U.
1984-06-01
The determination of the state probabilities and related quantities of a system characterized by an SMP (or a homogeneous MP) can be performed by means of graph-theoretical methods. The calculation procedures for semi-Markov processes based on signal flow graphs are reviewed. Some methods from electrotechnics are adapted in order to obtain a representation of the state probabilities by means of trees. From this some formulas are derived for the asymptotic state probabilities and for the mean life-time in reliability considerations. (Auth.)
A Cultural Study of a Science Classroom and Graphing Calculator-based Technology
Casey, Dennis Alan
2001-01-01
Social, political, and technological events of the past two decades have had considerable bearing on science education. While sociological studies of scientists at work have seriously questioned traditional histories of science, national and state educational systemic reform initiatives have been enacted, stressing standards and accountability. Recently, powerful instructional technologies have become part of the landscape of the classroom. One example, graphing calculator-based technology...
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Ablinger, Jakob; Schneider, Carsten; Bluemlein, Johannes; Raab, Clemens; Wissbrock, Fabian
2014-02-01
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a N , a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC)
2014-02-15
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a{sup N}, a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Ablinger, Jakob [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Blümlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Wißbrock, Fabian [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany)
2014-08-15
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a{sup N},a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.
Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms
Ablinger, Jakob; Blümlein, Johannes; Raab, Clemens; Schneider, Carsten; Wißbrock, Fabian
2014-01-01
We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a N ,a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions
A cultural study of a science classroom and graphing calculator-based technology
Casey, Dennis Alan
Social, political, and technological events of the past two decades have had considerable bearing on science education. While sociological studies of scientists at work have seriously questioned traditional histories of science, national and state educational systemic reform initiatives have been enacted, stressing standards and accountability. Recently, powerful instructional technologies have become part of the landscape of the classroom. One example, graphing calculator-based technology, has found its way from commercial and domestic applications into the pedagogy of science and math education. The purpose of this study was to investigate the culture of an "alternative" science classroom and how it functions with graphing calculator-based technology. Using ethnographic methods, a case study of one secondary, team-taught, Environmental/Physical Science (EPS) classroom was conducted. Nearly half of the 23 students were identified as students with special education needs. Over a four-month period, field data was gathered from written observations, videotaped interactions, audio taped interviews, and document analyses to determine how technology was used and what meaning it had for the participants. Analysis indicated that the technology helped to keep students from getting frustrated with handling data and graphs. In a relatively short period of time, students were able to gather data, produce graphs, and to use inscriptions in meaningful classroom discussions. In addition, teachers used the technology as a means to involve and motivate students to want to learn science. By employing pedagogical skills and by utilizing a technology that might not otherwise be readily available to these students, an environment of appreciation, trust, and respect was fostered. Further, the use of technology by these teachers served to expand students' social capital---the benefits that come from an individual's social contacts, social skills, and social resources.
Kenney, Rachael H.
2014-01-01
This study examined ways in which students make use of a graphing calculator and how use relates to comfort and understanding with mathematical symbols. Analysis involved examining students' words and actions in problem solving to identify evidence of algebraic insight. Findings suggest that some symbols and symbolic structures had strong…
Hatem, Neil
2010-01-01
This study investigates the relationship between the use of graphing calculators employed as Type II technology and student achievement, as determined by assessing students' problem solving skills associated with the concept of function, at the college algebra and pre-calculus level. In addition, this study explores the integration of graphing…
Graph theoretical models for calculating the reliablility of power plants. Pt. 4
Vetterkind, D.W.
1978-01-01
With the aid of mathematical formalisms from the theory of stochastical networks, approximation equations are derived for the expectation value as well as for the scattering of period-related availability of series systems consisting of deteriorating and/or non-deteriorating components. In this context, successive operating times of deteriorating components are described by the time-dependent Poisson process while successive operating times of non-deteriorating components are described by the time-independent Poisson process. In addition provision is made in the model to include in the calculation an existing trend of the expectation value of components successive failure times. (orig./RW) [de
National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...
Casio Graphical Calculator Project.
Stott, Nick
2001-01-01
Shares experiences of a project aimed at developing and refining programs written on a Casio FX9750G graphing calculator. Describes in detail some programs used to develop mental strategies and problem solving skills. (MM)
A signal-flow-graph approach to on-line gradient calculation.
Campolucci, P; Uncini, A; Piazza, F
2000-08-01
A large class of nonlinear dynamic adaptive systems such as dynamic recurrent neural networks can be effectively represented by signal flow graphs (SFGs). By this method, complex systems are described as a general connection of many simple components, each of them implementing a simple one-input, one-output transformation, as in an electrical circuit. Even if graph representations are popular in the neural network community, they are often used for qualitative description rather than for rigorous representation and computational purposes. In this article, a method for both on-line and batch-backward gradient computation of a system output or cost function with respect to system parameters is derived by the SFG representation theory and its known properties. The system can be any causal, in general nonlinear and time-variant, dynamic system represented by an SFG, in particular any feedforward, time-delay, or recurrent neural network. In this work, we use discrete-time notation, but the same theory holds for the continuous-time case. The gradient is obtained in a straightforward way by the analysis of two SFGs, the original one and its adjoint (obtained from the first by simple transformations), without the complex chain rule expansions of derivatives usually employed. This method can be used for sensitivity analysis and for learning both off-line and on-line. On-line learning is particularly important since it is required by many real applications, such as digital signal processing, system identification and control, channel equalization, and predistortion.
Moore-Russo, Deborah A.; Cortes-Figueroa, Jose E.; Schuman, Michael J.
2006-01-01
The use of Calculator-Based Laboratory (CBL) technology, the graphing calculator, and the cooling and heating of water to model the behavior of consecutive first-order reactions is presented, where B is the reactant, I is the intermediate, and P is the product for an in-class demonstration. The activity demonstrates the spontaneous and consecutive…
Scholtyssek, W.
1995-01-01
In the first phase of a benchmark comparison, the CONTAIN code was used to calculate an assumed EPR accident 'medium-sized leak in the cold leg', especially for the first two days after initiation of the accident. The results for global characteristics compare well with those of FIPLOC, MELCOR and WAVCO calculations, if the same materials data are used as input. However, significant differences show up for local quantities such as flows through leakages. (orig.)
2011-01-01
WE RECOMMEND Online Graphing Calculator Calculator plots online graphs Challenge and Change: A History of the Nuffield A-Level Physics Project Book delves deep into the history of Nuffield physics SEP Sound Booklet has ideas for teaching sound but lacks some basics Reinventing Schools, Reforming Teaching Fascinating book shows how politics impacts on the classroom Physics and Technology for Future Presidents A great book for teaching physics for the modern world iSeismometer iPhone app teaches students about seismic waves WORTH A LOOK Teachers TV Video Clip Lesson plan uses video clip to explore new galaxies Graphing Calculator App A phone app that handles formulae and graphs WEB WATCH Physics.org competition finds the best websites
Hillman, Thomas
2014-01-01
This article examines mathematical activity with digital technology by tracing it from its development through its use in classrooms. Drawing on material-semiotic approaches from the field of Science and Technology Studies, it examines the visions of mathematical activity that developers had for an advanced graphing calculator. It then follows the…
Li, D.
1980-01-01
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 [ru
Petersen, K.E.
1986-03-01
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)
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...
Petersen, Kurt Erling
1986-01-01
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...
National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...
Carossi, Jean-Claude
1969-02-01
A CO 2 flowrate calculator has been designed for measuring and recording the gas flow in the loops of Pegase reactor. The analog calculator applies, at every moment, Bernoulli's formula to the values that characterize the carbon dioxide flow through a nozzle. The calculator electronics is described (it includes a sampling calculator and a two-variable function generator), with its amplifiers, triggers, interpolator, multiplier, etc. Calculator operation and setting are presented
Heterogeneous Calculation of {epsilon}
Jonsson, Alf
1961-02-15
A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.
Heterogeneous Calculation of ε
Jonsson, Alf
1961-02-01
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
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.)
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
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
Radar Signature Calculation Facility
Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...
Waste Package Lifting Calculation
H. Marr
2000-01-01
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
Trkov, A.; Ravnik, M.; Zeleznik, N.
1992-01-01
Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [sl
Uneconomical top calculation method
De Noord, M.; Vanm Sambeek, E.J.W.
2003-08-01
The methodology used to calculate the financial gap of renewable electricity sources and technologies is described. This methodology is used for calculating the production subsidy levels (MEP subsidies) for new renewable electricity projects in 2004 and 2005 in the Netherlands [nl
Perturbation calculations with Wilson loop
Peixoto Junior, L.B.
1984-01-01
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 [pt
Dose calculation for electrons
Hirayama, Hideo
1995-01-01
The joint working group of ICRP/ICRU is advancing the works of reviewing the ICRP publication 51 by investigating the data related to radiation protection. In order to introduce the 1990 recommendation, it has been demanded to carry out calculation for neutrons, photons and electrons. As for electrons, EURADOS WG4 (Numerical Dosimetry) rearranged the data to be calculated at the meeting held in PTB Braunschweig in June, 1992, and the question and request were presented by Dr. J.L. Chartier, the responsible person, to the researchers who are likely to undertake electron transport Monte Carlo calculation. The author also has carried out the requested calculation as it was the good chance to do the mutual comparison among various computation codes regarding electron transport calculation. The content that the WG requested to calculate was the absorbed dose at depth d mm when parallel electron beam enters at angle α into flat plate phantoms of PMMA, water and ICRU4-element tissue, which were placed in vacuum. The calculation was carried out by the versatile electron-photon shower computation Monte Carlo code, EGS4. As the results, depth dose curves and the dependence of absorbed dose on electron energy, incident angle and material are reported. The subjects to be investigated are pointed out. (K.I.)
Govoni, Marco; Argonne National Lab., Argonne, IL; Galli, Giulia; Argonne National Lab., Argonne, IL
2015-01-01
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
Healy, J.W.
1984-01-01
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
Handout on shielding calculation
Heilbron Filho, P.F.L.
1991-01-01
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)
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...
PHYSICOCHEMICAL PROPERTY CALCULATIONS
Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...
Magnetic Field Grid Calculator
National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...
Intercavitary implants dosage calculation
Rehder, B.P.
The use of spacial geometry peculiar to each treatment for the attainment of intercavitary and intersticial implants dosage calculation is presented. The study is made in patients with intercavitary implants by applying a modified Manchester technique [pt
Small portable speed calculator
Burch, J. L.; Billions, J. C.
1973-01-01
Calculator is adapted stopwatch calibrated for fast accurate measurement of speeds. Single assembled unit is rugged, self-contained, and relatively inexpensive to manufacture. Potential market includes automobile-speed enforcement, railroads, and field-test facilities.
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...
Hiatt, Arthur A.
1987-01-01
Ten activities that give learners in grades 5-8 a chance to explore mathematics with calculators are provided. The activity cards involve such topics as odd addends, magic squares, strange projects, and conjecturing rules. (MNS)
IRIS core criticality calculations
Jecmenica, R.; Trontl, K.; Pevec, D.; Grgic, D.
2003-01-01
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)
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,
Source and replica calculations
Whalen, P.P.
1994-01-01
The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem
Shielding calculations using FLUKA
Yamaguchi, Chiri; Tesch, K.; Dinter, H.
1988-06-01
The dose equivalent on the surface of concrete shielding has been calculated using the Monte Carlo code FLUKA86 for incident proton energies from 10 to 800 GeV. The results have been compared with some simple equations. The value of the angular dependent parameter in Moyer's equation has been calculated from the locations where the values of the maximum dose equivalent occur. (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)
Wisniewski, H.; Gourdain, P.-A.
2017-10-01
APOLLO is an online, Linux based plasma calculator. Users can input variables that correspond to their specific plasma, such as ion and electron densities, temperatures, and external magnetic fields. The system is based on a webserver where a FastCGI protocol computes key plasma parameters including frequencies, lengths, velocities, and dimensionless numbers. FastCGI was chosen to overcome security problems caused by JAVA-based plugins. The FastCGI also speeds up calculations over PHP based systems. APOLLO is built upon the WT library, which turns any web browser into a versatile, fast graphic user interface. All values with units are expressed in SI units except temperature, which is in electron-volts. SI units were chosen over cgs units because of the gradual shift to using SI units within the plasma community. APOLLO is intended to be a fast calculator that also provides the user with the proper equations used to calculate the plasma parameters. This system is intended to be used by undergraduates taking plasma courses as well as graduate students and researchers who need a quick reference calculation.
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...
Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim
2003-01-01
We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...
Three recent TDHF calculations
Weiss, M.S.
1981-05-01
Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision 40 Ca 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 16 O + 24 Mg 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 86 Kr + 139 La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed
Fission neutron multiplicity calculations
Maerten, H.; Ruben, A.; Seeliger, D.
1991-01-01
A model for calculating neutron multiplicities in nuclear fission is presented. It is based on the solution of the energy partition problem as function of mass asymmetry within a phenomenological approach including temperature-dependent microscopic energies. Nuclear structure effects on fragment de-excitation, which influence neutron multiplicities, are discussed. Temperature effects on microscopic energy play an important role in induced fission reactions. Calculated results are presented for various fission reactions induced by neutrons. Data cover the incident energy range 0-20 MeV, i.e. multiple chance fission is considered. (author). 28 refs, 13 figs
Lattice cell burnup calculation
Pop-Jordanov, J.
1977-01-01
Accurate burnup prediction is a key item for design and operation of a power reactor. It should supply information on isotopic changes at each point in the reactor core and the consequences of these changes on the reactivity, power distribution, kinetic characters, control rod patterns, fuel cycles and operating strategy. A basic stage in the burnup prediction is the lattice cell burnup calculation. This series of lectures attempts to give a review of the general principles and calculational methods developed and applied in this area of burnup physics
Trkov, A; Ravnik, M; Zeleznik, N [Inst. Jozef Stefan, Ljubljana (Slovenia)
1992-07-01
Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [Slovenian] Opisali smo programski paket CORD-2, ki se uporablja pri projektnih izracunih sredice pri upravljanju tlacnovodnega reaktorja. Prikazana je uporaba paketa in racunskih postopkov za tipicne probleme, ki nastopajo pri projektiranju sredice. Primerjava glavnih rezultatov z eksperimentalnimi vrednostmi je predstavljena kot del preveritvenega procesa. (author)
Allswang, John M.
1986-01-01
This article provides two short microcomputer gradebook programs. The programs, written in BASIC for the IBM-PC and Apple II, provide statistical information about class performance and calculate grades either on a normal distribution or based on teacher-defined break points. (JDH)
Cardiovascular risk calculation
James A. Ker
2014-08-20
Aug 20, 2014 ... smoking and elevated blood sugar levels (diabetes mellitus). These risk ... These are risk charts, e.g. FRS, a non-laboratory-based risk calculation, and ... for hard cardiovascular end-points, such as coronary death, myocardial ...
Simonkova, J.
1988-01-01
The problems are summed up of the dynamic calculation of cooling towers with forced and natural air draft. The quantities and relations are given characterizing the simultaneous exchange of momentum, heat and mass in evaporative water cooling by atmospheric air in the packings of cooling towers. The method of solution is clarified in the calculation of evaporation criteria and thermal characteristics of countercurrent and cross current cooling systems. The procedure is demonstrated of the calculation of cooling towers, and correction curves and the effect assessed of the operating mode at constant air number or constant outlet air volume flow on their course in ventilator cooling towers. In cooling towers with the natural air draft the flow unevenness is assessed of water and air relative to its effect on the resulting cooling efficiency of the towers. The calculation is demonstrated of thermal and resistance response curves and cooling curves of hydraulically unevenly loaded towers owing to the water flow rate parameter graded radially by 20% along the cross-section of the packing. Flow rate unevenness of air due to wind impact on the outlet air flow from the tower significantly affects the temperatures of cooled water in natural air draft cooling towers of a design with lower demands on aerodynamics, as early as at wind velocity of 2 m.s -1 as was demonstrated on a concrete example. (author). 11 figs., 10 refs
Hypervelocity impact cratering calculations
Maxwell, D. E.; Moises, H.
1971-01-01
A summary is presented of prediction calculations on the mechanisms involved in hypervelocity impact cratering and response of earth media. Considered are: (1) a one-gram lithium-magnesium alloys impacting basalt normally at 6.4 km/sec, and (2) a large terrestrial impact corresponding to that of Sierra Madera.
Languages for structural calculations
Thomas, J.B.; Chambon, M.R.
1988-01-01
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 [fr
Brockway, D.; Soran, P.; Whalen, P.
1985-01-01
A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.
Devooght, J.; Lefvert, T.; Stankiewiez, J.
1981-01-01
This chapter deals with the work done in reactor dynamics within the Coordinated Research Program on Transport Theory and Advanced Reactor Calculations by three groups in Belgium, Poland, Sweden and Italy. Discretization methods in diffusion theory, collision probability methods in time-dependent neutron transport and singular perturbation method are represented in this paper
Equilibrium fission model calculations
Beckerman, M.; Blann, M.
1976-01-01
In order to aid in understanding the systematics of heavy ion fission and fission-like reactions in terms of the target-projectile system, bombarding energy and angular momentum, fission widths are calculated using an angular momentum dependent extension of the Bohr-Wheeler theory and particle emission widths using angular momentum coupling
Eduardo A. Castro
2004-12-01
Full Text Available We report the results of a calculation of the normal boiling points of a representative set of 200 organic molecules through the application of QSPR theory. For this purpose we have used a particular set of flexible molecular descriptors, the so called Correlation Weighting of Atomic Orbitals with Extended Connectivity of Zero- and First-Order Graphs of Atomic Orbitals. Although in general the results show suitable behavior to predict this physical chemistry property, the existence of some deviant behaviors points to a need to complement this index with some other sort of molecular descriptors. Some possible extensions of this study are discussed.
Weill, J.; Tellier; Bonnemay; Craigne; Chareton; Di Falco
1969-02-01
After a definition of hybrid calculation (combination of analogue and digital calculation) with a distinction between series and parallel hybrid computing, and a description of a hybrid computer structure and of task sharing between computers, this course proposes a description of hybrid hardware used in Saclay and Cadarache computing centres, and of operations performed by these systems. The next part addresses issues related to programming languages and software. The fourth part describes how a problem is organised for its processing on these computers. Methods of hybrid analysis are then addressed: resolution of optimisation problems, of partial differential equations, and of integral equations by means of different methods (gradient, maximum principle, characteristics, functional approximation, time slicing, Monte Carlo, Neumann iteration, Fischer iteration)
Calculation of projected ranges
Biersack, J.P.
1980-09-01
The concept of multiple scattering is reconsidered for obtaining the directional spreading of ion motion as a function of energy loss. From this the mean projection of each pathlength element of the ion trajectory is derived which - upon summation or integration - leads to the desired mean projected range. In special cases, the calculation can be carried out analytically, otherwise a simple general algorithm is derived which is suitable even for the smallest programmable calculators. Necessary input for the present treatment consists only of generally accessable stopping power and straggling formulas. The procedure does not rely on scattering cross sections, e.g. power potential or f(t 1 sup(/) 2 ) approximations. The present approach lends itself easily to include electronic straggling or to treat composed target materials, or even to account for the so-called time integral. (orig.)
Spallation reactions: calculations
Bertini, H.W.
1975-01-01
Current methods for calculating spallation reactions over various energy ranges are described and evaluated. Recent semiempirical fits to existing data will probably yield the most accurate predictions for these reactions in general. However, if the products in question have binding energies appreciably different from their isotropic neighbors and if the cross section is approximately 30 mb or larger, then the intranuclear-cascade-evaporation approach is probably better suited. (6 tables, 12 figures, 34 references) (U.S.)
Performance assessment calculational exercises
Barnard, R.W.; Dockery, H.A.
1990-01-01
The Performance Assessment Calculational Exercises (PACE) are an ongoing effort coordinated by Yucca Mountain Project Office. The objectives of fiscal year 1990 work, termed PACE-90, as outlined in the Department of Energy Performance Assessment (PA) Implementation Plan were to develop PA capabilities among Yucca Mountain Project (YMP) participants by calculating performance of a Yucca Mountain (YM) repository under ''expected'' and also ''disturbed'' conditions, to identify critical elements and processes necessary to assess the performance of YM, and to perform sensitivity studies on key parameters. It was expected that the PACE problems would aid in development of conceptual models and eventual evaluation of site data. The PACE-90 participants calculated transport of a selected set of radionuclides through a portion of Yucca Mountain for a period of 100,000 years. Results include analyses of fluid-flow profiles, development of a source term for radionuclide release, and simulations of contaminant transport in the fluid-flow field. Later work included development of a problem definition for perturbations to the originally modeled conditions and for some parametric sensitivity studies. 3 refs
Calculating Payload for a Tethered Balloon System
Charles D. Tangren
1980-01-01
A graph method to calculate payload for a tethered balloon system, with the supporting helium lift and payload equations. is described. The balloon system is designed to collect emissions data during the convective-lift and no-convective-lift phases of a forest fire. A description of the balloon system and a list of factors affecting balloon selection are included....
Accurate quantum chemical calculations
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.
Zero Temperature Hope Calculations
Rozsnyai, B. F.
2002-01-01
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
Heilbron Filho, P.F.L.; Oliveira Brandao, R. de.
1988-04-01
The theory of Point Kernel applied to a source uniformelly distributed in a cylindrical geometry was utilized to estimated the Cs-137 content of each package of radioactive waste collected. The Taylor equation was employed to calculate the build-up factor and the Green function G was adjusted by means of a least square method. The theory also takes into account factors such as aditional shielding, heterogeneity and humidity of the medium as well as associated uncertanties of the parameters envolved. (author) [pt
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
Thompson, W.L.; Deutsch, O.L.; Booth, T.E.
1980-04-01
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 90 0 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
Weldon Spring dose calculations
Dickson, H.W.; Hill, G.S.; Perdue, P.T.
1978-09-01
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
Configuration space Faddeev calculations
Payne, G.L.; Klink, W.H.; Polyzou, W.N.
1989-01-01
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
Penner, J.E.; Haselman, L.C.; Edwards, L.L.
1985-01-01
Smoke from raging fires produced in the aftermath of a major nuclear exchange has been predicted to cause large decreases in surface temperatures. However, the extent of the decrease and even the sign of the temperature change, depend on how the smoke is distributed with altitude. We present a model capable of evaluating the initial distribution of lofted smoke above a massive fire. Calculations are shown for a two-dimensional slab version of the model and a full three-dimensional version. The model has been evaluated by simulating smoke heights for the Hamburg firestorm of 1943 and a smaller scale oil fire which occurred in Long Beach in 1958. Our plume heights for these fires are compared to those predicted by the classical Morton-Taylor-Turner theory for weakly buoyant plumes. We consider the effect of the added buoyancy caused by condensation of water-laden ground level air being carried to high altitude with the convection column as well as the effects of background wind on the calculated smoke plume heights for several fire intensities. We find that the rise height of the plume depends on the assumed background atmospheric conditions as well as the fire intensity. Little smoke is injected into the stratosphere unless the fire is unusually intense, or atmospheric conditions are more unstable than we have assumed. For intense fires significant amounts of water vapor are condensed raising the possibility of early scavenging of smoke particles by precipitation. 26 references, 11 figures
Shielding calculations for NET
Verschuur, K.A.; Hogenbirk, A.
1991-05-01
In the European Fusion Technology Programme there is only a small activity on research and development for fusion neutronics. Never-the-less, looking further than blanket design now, as ECN is getting involved in design of radiation shields for the coils and biological shields, it becomes apparent that fusion neutronics as a whole still needs substantial development. Existing exact codes for calculation of complex geometries like MCNP and DORT/TORT are put over the limits of their numerical capabilities, whilst approximate codes for complex geometries like FURNACE and MERCURE4 are put over the limits of their modelling capabilities. The main objective of this study is just to find out how far we can get with existing codes in obtaining reliable values for the radiation levels inside and outside the cryostat/shield during operation and after shut-down. Starting with a 1D torus model for preliminary parametric studies, more dimensional approximation of the torus or parts of it including the main heterogeneities should follow. Regular contacts with the NET-Team are kept, to be aware of main changes in NET design that might affect our calculation models. Work on the contract started 1 July 1990. The technical description of the contract is given. (author). 14 refs.; 4 figs.; 1 tab
Starck, Patricia L; Love, Karen; McPherson, Robert
2008-01-01
In recent years, the focus has been on increasing the number of registered nurse (RN) graduates. Numerous states have initiated programs to increase the number and quality of students entering nursing programs, and to expand the capacity of their programs to enroll additional qualified students. However, little attention has been focused on an equally, if not more, effective method for increasing the number of RNs produced-increasing the graduation rate of students enrolling. This article describes a project that undertook the task of compiling graduation data for 15 entry-level programs, standardizing terms and calculations for compiling the data, and producing a regional report on graduation rates of RN students overall and by type of program. Methodology is outlined in this article. This effort produced results that were surprising to program deans and directors and is expected to produce greater collaborative efforts to improve these rates both locally and statewide.
Kheifets, Aaron; Gallistel, C R
2012-05-29
Animals successfully navigate the world despite having only incomplete information about behaviorally important contingencies. It is an open question to what degree this behavior is driven by estimates of stochastic parameters (brain-constructed models of the experienced world) and to what degree it is directed by reinforcement-driven processes that optimize behavior in the limit without estimating stochastic parameters (model-free adaptation processes, such as associative learning). We find that mice adjust their behavior in response to a change in probability more quickly and abruptly than can be explained by differential reinforcement. Our results imply that mice represent probabilities and perform calculations over them to optimize their behavior, even when the optimization produces negligible material gain.
Smile esthetics: calculated beauty?
Lecocq, Guillaume; Truong Tan Trung, Lisa
2014-06-01
Esthetic demand from patients continues to increase. Consequently, the treatments we offer are moving towards more discreet or invisible techniques using lingual brackets in order to achieve harmonious, balanced results in line with our treatment goals. As orthodontists, we act upon relationships between teeth and bone. And the equilibrium they create impacts the entire face via the smile. A balanced smile is essential to an esthetic outcome and is governed by rules, which guide both the practitioner and patient. A smile can be described in terms of mathematical ratios and proportions but beauty cannot be calculated. For the smile to sit harmoniously within the face, we need to take into account facial proportions and the possibility of their being modified by our orthopedic appliances or by surgery. Copyright © 2014 CEO. Published by Elsevier Masson SAS. All rights reserved.
Text book of dose calculation for operators
Aoyagi, Haruki; Gonda, Kozo
1979-07-01
This is a text book of dose calculation for the operators of the reprocessing factory of Power Reactor and Nuclear Fuel Development Corporation. The radiations considered are beta-ray and gamma-ray. The method used is a point attenuation nuclear integral method. Radiation sources are considered as the assemblies of point sources. Dose from each point source is calculated, then, total dose is obtained by the integration for all sources. Attenuation is calculated by considering the attenuation owing to distance and the absorption by absorbers. The build-up factor is introduced for the correction for scattered gamma-ray. The build-up factor is given in a table for various scatterers. The operators are able to calculate dose by themselves. The results of integral calculation expressed with formulas are given in graphs. (Kato, T.)
Relative Hazard Calculation Methodology
DL Strenge; MK White; RD Stenner; WB Andrews
1999-01-01
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)
Experimental Young's modulus calculations
Chen, Y.; Jayakumar, R.; Yu, K.
1994-01-01
Coil is a very important magnet component. The turn location and the coil size impact both mechanical and magnetic behavior of the magnet. The Young's modulus plays a significant role in determining the coil location and size. Therefore, Young's modulus study is essential in predicting both the analytical and practical magnet behavior. To determine the coil Young's modulus, an experiment has been conducted to measure azimuthal sizes of a half quadrant QSE101 inner coil under different loading. All measurements are made at four different positions along an 8-inch long inner coil. Each measurement is repeated three times to determine the reproducibility of the experiment. To ensure the reliability of this experiment, the same measurement is performed twice with a open-quotes dummy coil,close quotes which is made of G10 and has the same dimension and similar azimuthal Young's modulus as the inner coil. The difference between the G10 azimuthal Young's modulus calculated from the experiments and its known value from the manufacturer will be compared. Much effort has been extended in analyzing the experimental data to obtain a more reliable Young's modulus. Analysis methods include the error analysis method and the least square method
Relativistic few body calculations
Gross, F.
1988-01-01
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 γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/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/ 40 Ca 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
Equilibrium calculations, ch. 6
Deursen, A.P.J. van
1976-01-01
A calculation is presented of dimer intensities obtained in supersonic expansions. There are two possible limiting considerations; the dimers observed are already present in the source, in thermodynamic equilibrium, and are accelerated in the expansion. Destruction during acceleration is neglected, as are processes leading to newly formed dimers. On the other hand one can apply a kinetic approach, where formation and destruction processes are followed throughout the expansion. The difficulty of this approach stems from the fact that the density, temperature and rate constants have to be known at all distances from the nozzle. The simple point of view has been adopted and the measured dimer intensities are compared with the equilibrium concentration in the source. The comparison is performed under the assumption that the detection efficiency for dimers is twice the detection efficiency for monomers. The experimental evidence against the simple point of view that the dimers of the onset region are formed in the source already, under equilibrium conditions, is discussed. (Auth.)
Configuration space Faddeev calculations
Payne, G.L.; Klink, W.H.; Ployzou, W.N.
1991-01-01
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
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.
MOx Depletion Calculation Benchmark
San Felice, Laurence; Eschbach, Romain; Dewi Syarifah, Ratna; Maryam, Seif-Eddine; Hesketh, Kevin
2016-01-01
Under the auspices of the NEA Nuclear Science Committee (NSC), the Working Party on Scientific Issues of Reactor Systems (WPRS) has been established to study the reactor physics, fuel performance, radiation transport and shielding, and the uncertainties associated with modelling of these phenomena in present and future nuclear power systems. The WPRS has different expert groups to cover a wide range of scientific issues in these fields. The Expert Group on Reactor Physics and Advanced Nuclear Systems (EGRPANS) was created in 2011 to perform specific tasks associated with reactor physics aspects of present and future nuclear power systems. EGRPANS provides expert advice to the WPRS and the nuclear community on the development needs (data and methods, validation experiments, scenario studies) for different reactor systems and also provides specific technical information regarding: core reactivity characteristics, including fuel depletion effects; core power/flux distributions; Core dynamics and reactivity control. In 2013 EGRPANS published a report that investigated fuel depletion effects in a Pressurised Water Reactor (PWR). This was entitled 'International Comparison of a Depletion Calculation Benchmark on Fuel Cycle Issues' NEA/NSC/DOC(2013) that documented a benchmark exercise for UO 2 fuel rods. This report documents a complementary benchmark exercise that focused on PuO 2 /UO 2 Mixed Oxide (MOX) fuel rods. The results are especially relevant to the back-end of the fuel cycle, including irradiated fuel transport, reprocessing, interim storage and waste repository. Saint-Laurent B1 (SLB1) was the first French reactor to use MOx assemblies. SLB1 is a 900 MWe PWR, with 30% MOx fuel loading. The standard MOx assemblies, used in Saint-Laurent B1 reactor, include three zones with different plutonium enrichments, high Pu content (5.64%) in the center zone, medium Pu content (4.42%) in the intermediate zone and low Pu content (2.91%) in the peripheral zone
Parkhust, David L.
2005-01-01
Description of program or function: PHREEQC is a computer program written in the C programming language that is designed to perform a wide variety of aqueous geochemical calculations. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations, (2) reaction-path and advective-transport calculations involving specified irreversible reactions, mixing of solutions, mineral and gas equilibria, surface- complexation reactions, and ion-exchange reactions, and (3) inverse modeling, which finds sets of mineral and gas mole transfers that account for composition differences between waters, within specified compositional uncertainties. PHREEQC is derived from the Fortran program PHREEQE, but it has been completely rewritten in C with the addition of many new capabilities. New features include the capabilities to use redox couples to distribute redox elements among their valence states in speciation calculations; to model ion-exchange and surface-complexation reactions; to model reactions with a fixed-pressure, multicomponent gas phase (that is, a gas bubble); to calculate the mass of water in the aqueous phase during reaction and transport calculations; to keep track of the moles of minerals present in the solid phases and determine automatically the thermodynamically stable phase assemblage; to simulate advective transport in combination with PHREEQC's reaction-modeling capability; and to make inverse modeling calculations that allow for uncertainties in the analytical data. The user interface is improved through the use of a simplified approach to redox reactions, which includes explicit mole-balance equations for hydrogen and oxygen; the use of a revised input that is modular and completely free format; and the use of mineral names and standard chemical symbolism rather than index numbers. The use of C eliminates nearly all limitations on array sizes, including numbers of elements, aqueous species
ENRAF gauge reference level calculations
Huber, J.H., Fluor Daniel Hanford
1997-02-06
This document describes the method for calculating reference levels for Enraf Series 854 Level Detectors as installed in the tank farms. The reference level calculation for each installed level gauge is contained herein.
HEU benchmark calculations and LEU preliminary calculations for IRR-1
Caner, M.; Shapira, M.; Bettan, M.; Nagler, A.; Gilat, J.
2004-01-01
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)
MCNP and OMEGA criticality calculations
Seifert, E.
1998-04-01
The reliability of OMEGA criticality calculations is shown by a comparison with calculations by the validated and widely used Monte Carlo code MCNP. The criticality of 16 assemblies with uranium as fissionable is calculated with the codes MCNP (Version 4A, ENDF/B-V cross sections), MCNP (Version 4B, ENDF/B-VI cross sections), and OMEGA. Identical calculation models are used for the three codes. The results are compared mutually and with the experimental criticality of the assemblies. (orig.)
CALCULATION OF LASER CUTTING COSTS
Bogdan Nedic; Milan Eric; Marijana Aleksijevic
2016-01-01
The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, compar...
Transient anisotropic magnetic field calculation
Jesenik, Marko; Gorican, Viktor; Trlep, Mladen; Hamler, Anton; Stumberger, Bojan
2006-01-01
For anisotropic magnetic material, nonlinear magnetic characteristics of the material are described with magnetization curves for different magnetization directions. The paper presents transient finite element calculation of the magnetic field in the anisotropic magnetic material based on the measured magnetization curves for different magnetization directions. For the verification of the calculation method some results of the calculation are compared with the measurement
An Efficient Algorithm to Calculate the Minkowski Sum of Convex 3D Polyhedra
Bekker, Henk; Roerdink, Jos B.T.M.
2001-01-01
A new method is presented to calculate the Minkowski sum of two convex polyhedra A and B in 3D. These graphs are given edge attributes. From these attributed graphs the attributed graph of the Minkowski sum is constructed. This graph is then transformed into the Minkowski sum of A and B. The running
Technical manual for calculating cooling pond performance
Krstulovich, S.F.
1988-01-01
This manual is produced in response to a growing number of requests for a technical aid to explain methods for simulating cooling pond performance. As such, it is a compilation of reports, charts and graphs developed through the years for use in analyzing situations. Section II contains a report summarizing the factors affecting cooling pond performance and lists statistical parameters used in developing performance simulations. Section III contains the graphs of simulated cooling pond performance on an hourly basis for various combinations of criteria (wind, solar, depth, air temperature and humidity) developed from the report in Section II. Section IV contains correspondence describing how to develop further data from the graphs in Section III, as well as mathematical models for the system of performance calculation. Section V contains the formulas used to simulate cooling pond performances in a cascade arrangement, such as the Fermilab Main Ring ponds. Section VI contains the calculations currently in use to evaluate the Main Ring pond performance based on current flows and Watts loadings. Section VII contains the overall site drawing of the Main Ring cooling ponds with thermal analysis and physical data
Invert Effective Thermal Conductivity Calculation
M.J. Anderson; H.M. Wade; T.L. Mitchell
2000-01-01
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
Moeller, P.; Nix, J.R.
1990-01-01
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 ε 2 and ε 4 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
CALCULATION OF LASER CUTTING COSTS
Bogdan Nedic
2016-09-01
Full Text Available The paper presents description methods of metal cutting and calculation of treatment costs based on model that is developed on Faculty of mechanical engineering in Kragujevac. Based on systematization and analysis of large number of calculation models of cutting with unconventional methods, mathematical model is derived, which is used for creating a software for calculation costs of metal cutting. Software solution enables resolving the problem of calculating the cost of laser cutting, comparison' of costs made by other unconventional methods and provides documentation that consists of reports on estimated costs.
Calculation of Rydberg interaction potentials
Weber, Sebastian; Tresp, Christoph; Menke, Henri
2017-01-01
for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...... to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source....
... ounces of regular beer, 5 ounces of table wine, or 1.5 ounces of 80-proof distilled spirits. Distilled spirits include vodka, whiskey, gin, rum, and ... is 5% alcohol by volume (alc/vol), table wine is about 12% alc/vol, and straight 80-proof distilled spirits is 40% alc/vol. The percent alcohol by ...
Core calculational techniques and procedures
Romano, J.J.
1977-10-01
Described are the procedures and techniques employed by B and W in core design analyses of power peaking, control rod worths, and reactivity coefficients. Major emphasis has been placed on current calculational tools and the most frequently performed calculations over the operating power range
Economic calculation in socialist countries
Ellman, M.; Durlauf, S.N.; Blume, L.E.
2008-01-01
In the 1930s, when the classical socialist system emerged, economic decisions were based not on detailed and precise economic methods of calculation but on rough and ready political methods. An important method of economic calculation - particularly in the post-Stalin period - was that of
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...
Calculator. Owning a Small Business.
Parma City School District, OH.
Seven activities are presented in this student workbook designed for an exploration of small business ownership and the use of the calculator in this career. Included are simulated situations in which students must use a calculator to compute property taxes; estimate payroll taxes and franchise taxes; compute pricing, approximate salaries,…
Shielding calculational system for plutonium
Zimmerman, M.G.; Thomsen, D.H.
1975-08-01
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
2005-01-01
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
COSANI-2, Gamma Doses from SABINE Calculation, Activity from ANISN Flux Calculation
Dupont, C.
1975-01-01
1 - Nature of physical problem solved: Retrieval of SABINE and/or ANISN results. Calculates in case of SABINE results the individual contributions of capture gamma rays in each region to the total gamma dose and to the total gamma heating may calculate in case of ANISN new activity rates starting from ANISN flux saved on tape and activity cross sections taken on an ANISN binary library tape. The program can draw on a BENSON plotter any of the following quantities: - group flux; - activity rates; - dose rates; - neutron spectra for SABINE; - neutron or gamma direct or adjoint spectra for ANISN; - gamma heating and dose rate for SABINE including individual contributions from each region. Several ANISN and/or SABINE cases can be drawn on the same graph for comparison purposes. 2 - Restrictions on the complexity of the problem: Maximum number of: - tapes containing ANISN and/or SABINE results: 5; - curves per graph: 3; - regions: 40; - points per curve: 500; - energy groups: 200
Reactor core performance calculating device
Tominaga, Kenji; Bando, Masaru; Sano, Hiroki; Maruyama, Hiromi.
1995-01-01
The device of the present invention can calculate a power distribution efficiently at high speed by a plurality of calculation means while taking an amount of the reactor state into consideration. Namely, an input device takes data from a measuring device for the amount of the reactor core state such as a large number of neutron detectors disposed in the reactor core for monitoring the reactor state during operation. An input data distribution device comprises a state recognition section and a data distribution section. The state recognition section recognizes the kind and amount of the inputted data and information of the calculation means. The data distribution section analyzes the characteristic of the inputted data, divides them into a several groups, allocates them to each of the calculation means for the purpose of calculating the reactor core performance efficiently at high speed based on the information from the state recognition section. A plurality of the calculation means calculate power distribution of each of regions based on the allocated inputted data, to determine the power distribution of the entire reactor core. As a result, the reactor core can be evaluated at high accuracy and at high speed irrespective of the whole reactor core or partial region. (I.S.)
Alaska Village Electric Load Calculator
Devine, M.; Baring-Gould, E. I.
2004-10-01
As part of designing a village electric power system, the present and future electric loads must be defined, including both seasonal and daily usage patterns. However, in many cases, detailed electric load information is not readily available. NREL developed the Alaska Village Electric Load Calculator to help estimate the electricity requirements in a village given basic information about the types of facilities located within the community. The purpose of this report is to explain how the load calculator was developed and to provide instructions on its use so that organizations can then use this model to calculate expected electrical energy usage.
Reactor calculations and nuclear information
Lang, D.W.
1977-12-01
The relationship of sets of nuclear parameters and the macroscopic reactor quantities that can be calculated from them is examined. The framework of the study is similar to that of Usachev and Bobkov. The analysis is generalised and some properties required by common sense are demonstrated. The form of calculation permits revision of the parameter set. It is argued that any discrepancy between a calculation and measurement of a macroscopic quantity is more useful when applied directly to prediction of other macroscopic quantities than to revision of the parameter set. The mathematical technique outlined is seen to describe common engineering practice. (Author)
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 pion form factor
Vahedi, N.; Amirarjomand, S.
1975-09-01
The pion form factor is calculated using the structure function Wsub(2), which incorporates kinematical constraints, threshold behaviour and scaling. The Bloom-Gilman sum rule is used and only the two leading Regge trajectories are taken into account
Landfill Gas Energy Benefits Calculator
This page contains the LFG Energy Benefits Calculator to estimate direct, avoided, and total greenhouse gas reductions, as well as environmental and energy benefits, for a landfill gas energy project.
Calculate Your Body Mass Index
... Can! ) Health Professional Resources Calculate Your Body Mass Index Body mass index (BMI) is a measure of body fat based ... Health Information Email Alerts Jobs and Careers Site Index About NHLBI National Institute of Health Department of ...
Transfer Area Mechanical Handling Calculation
Dianda, B.
2004-01-01
This calculation is intended to support the License Application (LA) submittal of December 2004, in accordance with the directive given by DOE correspondence received on the 27th of January 2004 entitled: ''Authorization for Bechtel SAX Company L.L. C. to Include a Bare Fuel Handling Facility and Increased Aging Capacity in the License Application, Contract Number DE-AC--28-01R W12101'' (Arthur, W.J., I11 2004). This correspondence was appended by further Correspondence received on the 19th of February 2004 entitled: ''Technical Direction to Bechtel SAIC Company L.L. C. for Surface Facility Improvements, Contract Number DE-AC--28-OIRW12101; TDL No. 04-024'' (BSC 2004a). These documents give the authorization for a Fuel Handling Facility to be included in the baseline. The purpose of this calculation is to establish preliminary bounding equipment envelopes and weights for the Fuel Handling Facility (FHF) transfer areas equipment. This calculation provides preliminary information only to support development of facility layouts and preliminary load calculations. The limitations of this preliminary calculation lie within the assumptions of section 5 , as this calculation is part of an evolutionary design process. It is intended that this calculation is superseded as the design advances to reflect information necessary to support License Application. The design choices outlined within this calculation represent a demonstration of feasibility and may or may not be included in the completed design. This calculation provides preliminary weight, dimensional envelope, and equipment position in building for the purposes of defining interface variables. This calculation identifies and sizes major equipment and assemblies that dictate overall equipment dimensions and facility interfaces. Sizing of components is based on the selection of commercially available products, where applicable. This is not a specific recommendation for the future use of these components or their
CONTAIN calculations; CONTAIN-Rechnungen
Scholtyssek, W.
1995-08-01
In the first phase of a benchmark comparison, the CONTAIN code was used to calculate an assumed EPR accident `medium-sized leak in the cold leg`, especially for the first two days after initiation of the accident. The results for global characteristics compare well with those of FIPLOC, MELCOR and WAVCO calculations, if the same materials data are used as input. However, significant differences show up for local quantities such as flows through leakages. (orig.)
Numerical calculations near spatial infinity
Zenginoglu, Anil
2007-01-01
After describing in short some problems and methods regarding the smoothness of null infinity for isolated systems, I present numerical calculations in which both spatial and null infinity can be studied. The reduced conformal field equations based on the conformal Gauss gauge allow us in spherical symmetry to calculate numerically the entire Schwarzschild-Kruskal spacetime in a smooth way including spacelike, null and timelike infinity and the domain close to the singularity
Calculating radiation exposure and dose
Hondros, J.
1987-01-01
This paper discusses the methods and procedures used to calculate the radiation exposures and radiation doses to designated employees of the Olympic Dam Project. Each of the three major exposure pathways are examined. These are: gamma irradiation, radon daughter inhalation and radioactive dust inhalation. A further section presents ICRP methodology for combining individual pathway exposures to give a total dose figure. Computer programs used for calculations and data storage are also presented briefly
Granato, Gregory E.
2006-01-01
The Kendall-Theil Robust Line software (KTRLine-version 1.0) is a Visual Basic program that may be used with the Microsoft Windows operating system to calculate parameters for robust, nonparametric estimates of linear-regression coefficients between two continuous variables. The KTRLine software was developed by the U.S. Geological Survey, in cooperation with the Federal Highway Administration, for use in stochastic data modeling with local, regional, and national hydrologic data sets to develop planning-level estimates of potential effects of highway runoff on the quality of receiving waters. The Kendall-Theil robust line was selected because this robust nonparametric method is resistant to the effects of outliers and nonnormality in residuals that commonly characterize hydrologic data sets. The slope of the line is calculated as the median of all possible pairwise slopes between points. The intercept is calculated so that the line will run through the median of input data. A single-line model or a multisegment model may be specified. The program was developed to provide regression equations with an error component for stochastic data generation because nonparametric multisegment regression tools are not available with the software that is commonly used to develop regression models. The Kendall-Theil robust line is a median line and, therefore, may underestimate total mass, volume, or loads unless the error component or a bias correction factor is incorporated into the estimate. Regression statistics such as the median error, the median absolute deviation, the prediction error sum of squares, the root mean square error, the confidence interval for the slope, and the bias correction factor for median estimates are calculated by use of nonparametric methods. These statistics, however, may be used to formulate estimates of mass, volume, or total loads. The program is used to read a two- or three-column tab-delimited input file with variable names in the first row and
Calculation of Rydberg interaction potentials
Weber, Sebastian; Büchler, Hans Peter; Tresp, Christoph; Urvoy, Alban; Hofferberth, Sebastian; Menke, Henri; Firstenberg, Ofer
2017-01-01
The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence can be fine-tuned with great flexibility by choosing appropriate Rydberg states and applying external electric and magnetic fields. More and more experiments are probing this interaction at short atomic distances or with such high precision that perturbative calculations as well as restrictions to the leading dipole–dipole interaction term are no longer sufficient. In this tutorial, we review all relevant aspects of the full calculation of Rydberg interaction potentials. We discuss the derivation of the interaction Hamiltonian from the electrostatic multipole expansion, numerical and analytical methods for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source. (tutorial)
Mordred: a molecular descriptor calculator.
Moriwaki, Hirotomo; Tian, Yu-Shi; Kawashita, Norihito; Takagi, Tatsuya
2018-02-06
Molecular descriptors are widely employed to present molecular characteristics in cheminformatics. Various molecular-descriptor-calculation software programs have been developed. However, users of those programs must contend with several issues, including software bugs, insufficient update frequencies, and software licensing constraints. To address these issues, we propose Mordred, a developed descriptor-calculation software application that can calculate more than 1800 two- and three-dimensional descriptors. It is freely available via GitHub. Mordred can be easily installed and used in the command line interface, as a web application, or as a high-flexibility Python package on all major platforms (Windows, Linux, and macOS). Performance benchmark results show that Mordred is at least twice as fast as the well-known PaDEL-Descriptor and it can calculate descriptors for large molecules, which cannot be accomplished by other software. Owing to its good performance, convenience, number of descriptors, and a lax licensing constraint, Mordred is a promising choice of molecular descriptor calculation software that can be utilized for cheminformatics studies, such as those on quantitative structure-property relationships.
Propagation calculation for reactor cases
Yang Yanhua [School of Power and Energy Engineering, Shanghai Jiao Tong Univ., Shanghai (China); Moriyama, K.; Maruyama, Y.; Nakamura, H.; Hashimoto, K. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2000-11-01
The propagation of steam explosion for real reactor geometry and conditions are investigated by using the computer code JASMINE-pro. The ex-vessel steam explosion is considered, which is described as follow: during the accident of reactor core meltdown, the molten core melts a hole at the bottom of reactor vessel and causes the higher temperature core fuel being leaked into the water pool below reactor vessel. During the melt-water mixing interaction process, the high temperature melt evaporates the cool water at an extreme high rate and might induce a steam explosion. A steam explosion could experience first the premixing phase and then the propagation explosion phase. For a propagation calculation, we should know the information about the initial fragmentation time, the total melt mass, premixing region size, initial void fraction and distribution of the melt volume fraction, and so on. All the initial conditions used in this calculation are based on analyses from some simple assumptions and the observation from the experiments. The results show that the most important parameter for the initial condition of this phase is the total mass and its initial distribution. This gives the requirement for a premixing calculation. On the other hand, for higher melt volume fraction case, the fragmentation is strong so that the local pressure can exceed over the EOS maximum pressure of the code, which lead to the incorrect calculation or divergence of the calculation. (Suetake, M.)
Calculation of magnetic hyperfine constants
Bufaical, R.F.; Maffeo, B.; Brandi, H.S.
1975-01-01
The magnetic hyperfine constants of the V sub(K) center in CaF 2 , SrF 2 and BaF 2 have been calculated assuming a phenomenological model, based on the F 2 - 'central molucule', to describe the wavefunction of the defect. Calculations have shown that introduction of a small degree of covalence, between this central molecule and neighboring ions, is necessary to improve the electronic structure description of the defect. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of the ions neighboring the central molecule; these relaxations have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different theoretical methods have been used
Parameters calculation of shielding experiment
Gavazza, S.
1986-02-01
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) [pt
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
Shepherd, I.; Ball, A.; Trambauer, K.; Barbero, F.; Olivar Dominguez, F.; Herranz, L.; Biasi, L.; Fermandjian, J.; Hocke, K.
1991-01-01
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
Automatic calculations of electroweak processes
Ishikawa, T.; Kawabata, S.; Kurihara, Y.; Shimizu, Y.; Kaneko, T.; Kato, K.; Tanaka, H.
1996-01-01
GRACE system is an excellent tool for calculating the cross section and for generating event of the elementary process automatically. However it is not always easy for beginners to use. An interactive version of GRACE is being developed so as to be a user friendly system. Since it works exactly in the same environment as PAW, all functions of PAW are available for handling any histogram information produced by GRACE. As its application the cross sections of all elementary processes with up to 5-body final states induced by e + e - interaction are going to be calculated and to be summarized as a catalogue. (author)
Calculation methods in program CCRMN
Chonghai, Cai [Nankai Univ., Tianjin (China). Dept. of Physics; Qingbiao, Shen [Chinese Nuclear Data Center, Beijing, BJ (China)
1996-06-01
CCRMN is a program for calculating complex reactions of a medium-heavy nucleus with six light particles. In CCRMN, the incoming particles can be neutrons, protons, {sup 4}He, deuterons, tritons and {sup 3}He. the CCRMN code is constructed within the framework of the optical model, pre-equilibrium statistical theory based on the exciton model and the evaporation model. CCRMN is valid in 1{approx} MeV energy region, it can give correct results for optical model quantities and all kinds of reaction cross sections. This program has been applied in practical calculations and got reasonable results.
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
Selfconsistent calculations at finite temperatures
Brack, M.; Quentin, P.
1975-01-01
Calculations have been done for the spherical nuclei 40 Ca, 208 Pb and the hypothetical superheavy nucleus with Z=114, A=298, as well as for the deformed nucleus 168 Yb. The temperature T was varied from zero up to 5 MeV. For T>3 MeV, some numerical problems arise in connection with the optimization of the basis when calculating deformed nuclei. However, at these high temperatures the occupation numbers in the continuum are sufficiently large so that the nucleus starts evaporating particles and no equilibrium state can be described. Results are obtained for excitation energies and entropies. (Auth.)
Benchmark neutron porosity log calculations
Little, R.C.; Michael, M.; Verghese, K.; Gardner, R.P.
1989-01-01
Calculations have been made for a benchmark neutron porosity log problem with the general purpose Monte Carlo code MCNP and the specific purpose Monte Carlo code McDNL. For accuracy and timing comparison purposes the CRAY XMP and MicroVax II computers have been used with these codes. The CRAY has been used for an analog version of the MCNP code while the MicroVax II has been used for the optimized variance reduction versions of both codes. Results indicate that the two codes give the same results within calculated standard deviations. Comparisons are given and discussed for accuracy (precision) and computation times for the two codes
Molecular calculations with B functions
Steinborn, E.O.; Homeier, H.H.H.; Ema, I.; Lopez, R.; Ramirez, G.
2000-01-01
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
Lattice calculations in gauge theory
Rebbi, C.
1985-01-01
The lattice formulation of quantum gauge theories is discussed as a viable technique for quantitative studies of nonperturbative effects in QCD. Evidence is presented to ascertain that whole classes of lattice actions produce a universal continuum limit. Discrepancies between numerical results from Monto Carlo simulations for the pure gauge system and for the system with gauge and quark fields are discussed. Numerical calculations for QCD require very substantial computational resources. The use of powerful vector processors of special purpose machines, in extending the scope and magnitude or the calculations is considered, and one may reasonably expect that in the near future good quantitative predictions will be obtained for QCD
Methods for Melting Temperature Calculation
Hong, Qi-Jun
Melting temperature calculation has important applications in the theoretical study of phase diagrams and computational materials screenings. In this thesis, we present two new methods, i.e., the improved Widom's particle insertion method and the small-cell coexistence method, which we developed in order to capture melting temperatures both accurately and quickly. We propose a scheme that drastically improves the efficiency of Widom's particle insertion method by efficiently sampling cavities while calculating the integrals providing the chemical potentials of a physical system. This idea enables us to calculate chemical potentials of liquids directly from first-principles without the help of any reference system, which is necessary in the commonly used thermodynamic integration method. As an example, we apply our scheme, combined with the density functional formalism, to the calculation of the chemical potential of liquid copper. The calculated chemical potential is further used to locate the melting temperature. The calculated results closely agree with experiments. We propose the small-cell coexistence method based on the statistical analysis of small-size coexistence MD simulations. It eliminates the risk of a metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. Using empirical potentials, we validate the method and systematically study the finite-size effect on the calculated melting points. The method converges to the exact result in the limit of a large system size. An accuracy within 100 K in melting temperature is usually achieved when the simulation contains more than 100 atoms. DFT examples of Tantalum, high-pressure Sodium, and ionic material NaCl are shown to demonstrate the accuracy and flexibility of the method in its practical applications. The method serves as a promising approach for large-scale automated material screening in which
Development of My Footprint Calculator
Mummidisetti, Karthik
The Environmental footprint is a very powerful tool that helps an individual to understand how their everyday activities are impacting environmental surroundings. Data shows that global climate change, which is a growing concern for nations all over the world, is already affecting humankind, plants and animals through raising ocean levels, droughts & desertification and changing weather patterns. In addition to a wide range of policy measures implemented by national and state governments, it is necessary for individuals to understand the impact that their lifestyle may have on their personal environmental footprint, and thus over the global climate change. "My Footprint Calculator" (myfootprintcalculator.com) has been designed to be one the simplest, yet comprehensive, web tools to help individuals calculate and understand their personal environmental impact. "My Footprint Calculator" is a website that queries users about their everyday habits and activities and calculates their personal impact on the environment. This website was re-designed to help users determine their environmental impact in various aspects of their lives ranging from transportation and recycling habits to water and energy usage with the addition of new features that will allow users to share their experiences and their best practices with other users interested in reducing their personal Environmental footprint. The collected data is stored in the database and a future goal of this work plans to analyze the collected data from all users (anonymously) for developing relevant trends and statistics.
Calculations of nucleon structure functions
Signal, A.I.
1990-01-01
We present a method of calculating deep inelastic nucleon structure functions using bag model wavefunctions. Our method uses the Peierls - Yoccoz projection to form translation invariant bag states. We obtain the correct support for the structure functions and satisfy the positivity requirements for quark and anti-quark distribution functions. (orig.)
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....
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 stabl...
Coil protection calculator for TFTR
Marsala, R.J.; Lawson, J.E.; Persing, R.G.; Senko, T.R.; Woolley, R.D.
1989-01-01
A new coil protection system (CPS) is being developed to replace the existing TFTR magnetic coil fault detector. The existing fault detector sacrifices TFTR operating capability for simplicity. The new CPS, when installed in October of 1988, will permit operation up to the actual coil stress limits parameters in real-time. The computation will be done in a microprocessor based Coil Protection Calculator (CPC) currently under construction at PPL. THe new CPC will allow TFTR to operate with higher plasma currents and will permit the optimization of pulse repetition rates. The CPC will provide real-time estimates of critical coil and bus temperatures and stresses based on real-time redundant measurements of coil currents, coil cooling water inlet temperature, and plasma current. The critical parameter calculations are compared to prespecified limits. If these limits are reached or exceeded, protection action will be initiated to a hard wired control system (HCS), which will shut down the power supplies. The CPC consists of a redundant VME based microprocessor system which will sample all input data and compute all stress quantities every ten milliseconds. Thermal calculations will be approximated every 10ms with an exact solution occurring every second. The CPC features continuous cross-checking of redundant input signal, automatic detection of internal failure modes, monitoring and recording of calculated results, and a quick, functional verification of performance via an internal test system. (author)
Faas, S.; Snijders, Jaap; van Lenthe, J.H.; HernandezLaguna, A; Maruani, J; McWeeny, R; Wilson, S
2000-01-01
In this paper we present the first application of the ZORA (Zeroth Order Regular Approximation of the Dirac Fock equation) formalism in Ab Initio electronic structure calculations. The ZORA method, which has been tested previously in the context of Density Functional Theory, has been implemented in
Introduction to calculations of recuperators
Dollar, M.
1977-01-01
Physical principles of heat transfer between fluid under turbulent flow conditions and a wall of a duct are described. The methods of calculations of heat transfer coefficient and the theory of recuperative heat exchangers are presented. Numerical examples are given to illustrate the theory. (author)
Photoproduction data for heating calculations
Van der Marck, Steven C.; Koning, Arjan J.; Rochman, Dimitri
2008-01-01
For irradiations in a materials test reactor, the prediction of the amount of gamma heating in the reactor is important. Only a good predictive calculation will lead to an irradiation in which the specified temperatures are reached. The photons produced by fission product decay are often missing in spectrum calculations for a reactor, but the contribution of the photons can be computed effectively using engineering correlations for the amount of fission product decay and the ensuing photon spectrum. The prompt photons are usually calculated by a spectrum code based on the underlying nuclear data libraries. For most of the important nuclides, the nuclear data libraries contain data for the photon productions rates. However, there are still many nuclides for which the photon production data are missing, and some of these nuclides contribute to gamma heating. In this paper it is estimated what the contributions to heating are from photon production on nuclides such as 236 U, 238 Pu, 135 I, 135 Xe, 147 Pm, 148 Pm, 148m Pm, and 149 Sm. Also, simple arguments are given to judge the effect from photon production on all other (lumped) fission products, and from 28 Al decay. For all these calculations the High Flux Reactor is used as an example. (authors)
Methods for magnetostatic field calculation
Vorozhtsov, S.B.
1984-01-01
Two methods for magnetostatic field calculation: differential and integrat are considered. Both approaches are shown to have certain merits and drawbacks, choice of the method depend on the type of the solved problem. An opportunity of combination of these tWo methods in one algorithm (hybrid method) is considered
Prenatal radiation exposure. Dose calculation
Scharwaechter, C.; Schwartz, C.A.; Haage, P.; Roeser, A.
2015-01-01
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.
Calculating zeros: Non-equilibrium free energy calculations
Oostenbrink, Chris; Gunsteren, Wilfred F. van
2006-01-01
Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations
Mechanical calculation of heat exchangers
Osweiller, Francis.
1977-01-01
Many heat exchangers are still being dimensioned at the present time by means of the American TEMA code (Tubular Exchanger Manufacturers Association). The basic formula of this code often gives rise to significant tubular plate thicknesses which, apart from the cost of materials, involve significant machining. Some constructors have brought into use calculation methods that are more analytic so as to take into better consideration the mechanical phenomena which come into play in a heat exchanger. After a brief analysis of these methods it is shown, how the original TEMA formulations have changed to reach the present version and how this code has incorporated Gardner's results for treating exchangers with two fixed heads. A formal and numerical comparison is then made of the analytical and TEMA methods by attempting to highlight a code based on these methods or a computer calculation programme in relation to the TEMA code [fr
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.
The Collective Practice of Calculation
Schrøder, Ida
The calculation of costs plays an increasingly large role in the decision-making processes of public sector human service organizations. This has brought scholars of management accounting to investigate the relationship between caring professions and demands to make economic entities of the service...... productions as either a process of hybridization or conflict. With these approaches, though, they fail to interrogate the possibility that professional action might not be either the one or the other, but entail a broad variety of relationships between calculations and judgements. This paper elaborates...... and judgement to reach decisions to invest in social services. The line is not drawn between the two, but between the material arrangements that make decisions possible. This implies that the insisting on qualitatively based decisions gives the professionals agency to collectively engage in practical...
Computer programs for lattice calculations
Keil, E.; Reich, K.H.
1984-01-01
The aim of the workshop was to find out whether some standardisation could be achieved for future work in this field. A certain amount of useful information was unearthed, and desirable features of a ''standard'' program emerged. Progress is not expected to be breathtaking, although participants (practically from all interested US, Canadian and European accelerator laboratories) agreed that the mathematics of the existing programs is more or less the same. Apart from the NIH (not invented here) effect, there is a - to quite some extent understandable - tendency to stay with a program one knows and to add to it if unavoidable rather than to start using a new one. Users of the well supported program TRANSPORT (designed for beam line calculations) would prefer to have it fully extended for lattice calculations (to some extent already possible now), while SYNCH users wish to see that program provided with a user-friendly input, rather than spending time and effort for mastering a new program
Coil protection calculator for TFTR
Marsala, R.J.; Woolley, R.D.
1987-01-01
A new coil protection calculator (CPC) is presented in this paper. It is now being developed for TFTR's magnetic field coils will replace the existing coil fault detector. The existing fault detector sacrifices TFTR operating capability for simplicity. The new CPC will permit operation up to the actual coil limits by accurately and continuously computing coil parameters in real-time. The improvement will allow TFTR to operate with higher plasma currents and will permit the optimization of pulse repetition rates
Rotor calculations for neutron spectroscopy
Gobert, G.
1968-01-01
The determination of stress in a rotating disk plane of symmetry normal to the axis of rotation has been studied by a number of investigators. In a recent paper Reich gives an operating process for an analytical solution in an asymmetric rotating disk. In the report we give the calculation of finite difference stress solutions applicable to the two rotating disks. The equations are then programmed for the 360.75 computer by Fortran methods concerning the rotors of choppers. (author) [fr
Parallel plasma fluid turbulence calculations
Leboeuf, J.N.; Carreras, B.A.; Charlton, L.A.; Drake, J.B.; Lynch, V.E.; Newman, D.E.; Sidikman, K.L.; Spong, D.A.
1994-01-01
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
Microcomputer generated pipe support calculations
Hankinson, R.F.; Czarnowski, P.; Roemer, R.E.
1991-01-01
The cost and complexity of pipe support design has been a continuing challenge to the construction and modification of commercial nuclear facilities. Typically, pipe support design or qualification projects have required large numbers of engineers centrally located with access to mainframe computer facilities. Much engineering time has been spent repetitively performing a sequence of tasks to address complex design criteria and consolidating the results of calculations into documentation packages in accordance with strict quality requirements. The continuing challenges of cost and quality, the need for support engineering services at operating plant sites, and the substantial recent advances in microcomputer systems suggested that a stand-alone microcomputer pipe support calculation generator was feasible and had become a necessity for providing cost-effective and high quality pipe support engineering services to the industry. This paper outlines the preparation for, and the development of, an integrated pipe support design/evaluation software system which maintains all computer programs in the same environment, minimizes manual performance of standard or repetitive tasks, and generates a high quality calculation which is consistent and easily followed
Calculational methods for lattice cells
Askew, J.R.
1980-01-01
At the current stage of development, direct simulation of all the processes involved in the reactor to the degree of accuracy required is not an economic proposition, and this is achieved by progressive synthesis of models for parts of the full space/angle/energy neutron behaviour. The split between reactor and lattice calculations is one such simplification. Most reactors are constructed of repetitions of similar geometric units, the fuel elements, having broadly similar properties. Thus the provision of detailed predictions of their behaviour is an important step towards overall modelling. We shall be dealing with these lattice methods in this series of lectures, but will refer back from time to time to their relationship with overall reactor calculation The lattice cell is itself composed of somewhat similar sub-units, the fuel pins, and will itself often rely upon a further break down of modelling. Construction of a good model depends upon the identification, on physical and mathematical grounds, of the most helpful division of the calculation at this level
Calculation of groundwater travel time
Arnett, R.C.; Sagar, B.; Baca, R.G.
1984-12-01
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
Calculation of parameters of combined frame and roof bolting
Ivanov, S. I.; Titov, N. V.; Privalov, A. A.; Trunov, I. T.; Sarychev, V. I.
2017-10-01
The paper presents the method of calculation of the combined frame and roof bolting. Recommendations on providing joint operation of roof bolting with steel support frames are given. Graphs for determining standard rock movement, as well as for defining proof load on the yielding support, were developed.
Nuclear data library in design calculation
Hirano, Go; Kosaka, Shinya
2006-01-01
In core design calculation, nuclear data takes part as multi group cross section library during the assembly calculation, which is the first stage of a core design calculation. This report summarizes the multi group cross section libraries used in assembly calculations and also presents the methods adopted for resonance and assembly calculation. (author)
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 Rydberg interaction potentials
Weber, Sebastian; Tresp, Christoph; Menke, Henri
2017-01-01
The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence...... for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...
FIPRED Project - Experiments and calculations
Ohai, D.; Dumitrescu, I.; Doca, C.; Meleg, T.; Benga, D.
2009-01-01
Full text: The FIPRED (Fission Products Release from Debris Bed) Project was developed by INR in the framework of EC FP6 SARNET (2004-2008) and will be continued in EC FP6 SARNET2 (2009-2013). The project objective is the evaluation of fission product release from debris bed resulted after reactor severe accident by natural UO 2 sintered pellets self disintegration by oxidation. A large experimental program was performed covering the main parameters influencing granulometric distribution of powders (fragments) resulted from UO 2 sintered pellets self disintegration by air oxidation. The paper presents experimental results obtained and material equation obtained by mathematical calculations. (authors)
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...
Symmetries applied to reactor calculations
Makai, M.
1982-03-01
Three problems of a reactor-calculational model are discussed with the help of symmetry considerations. 1/ A coarse mesh method applicable to any geometry is derived. It is shown that the coarse mesh solution can be constructed from a few standard boundary value problems. 2/ A second stage homogenization method is given based on the Bloch theorem. This ensures the continuity of the current and the flux at the boundary. 3/ The validity of the micro-macro separation is shown for heterogeneous lattices. A formula for the neutron density is derived for cell homogenization. (author)
Criticality calculations for safety analysis
Vellozo, S.O.
1981-01-01
Criticality studies in uranium nitrate and plutonium nitrate aqueous solutions were done. For uranium compound three basic computer codes are used: GAMTEC-II, DTF-IV, KENO-IV. Water was used as refletor and the results obtained with the different computer codes were analyzed and compared with the 'Handbuck zur Kriticalitat'. The cross sections and the cylindrical geometry were generated by Gamtec-II computer code. In the second compound the thickness of the recipient with plutonium nitrate are used with rectangular geometry and concret reflector. The effective multiplication constant was calculated with the Gamtec-II and Keno-IV library. The results show many differences. (E.G) [pt
Calculable resistors of coaxial design
Kucera, J; Vollmer, E; Schurr, J; Bohacek, J
2009-01-01
1000 Ω and 1290.64 Ω coaxial resistors with calculable frequency dependence have been realized at PTB to be used in quantum Hall effect-based impedance measurements. In contradistinction to common designs of coaxial resistors, the design described in this paper makes it possible to remove the resistive element from the shield and to handle it without cutting the outer cylindrical shield of the resistor. Emphasis has been given to manufacturing technology and suppressing unwanted sources of frequency dependence. The adjustment accuracy is better than 10 µΩ Ω −1
Radiation shielding calculation using MCNP
Masukawa, Fumihiro
2001-01-01
To verify the Monte Carlo code MCNP4A as a tool to generate the reference data in the shielding designs and the safety evaluations, various shielding benchmark experiments were analyzed using this code. These experiments were categorized in three types of the shielding subjects; bulk shielding, streaming, and skyshine. For the variance reduction technique, which is indispensable to get meaningful results with the Monte Carlo shielding calculation, we mainly used the weight window, the energy dependent Russian roulette and spitting. As a whole, our analyses performed enough small statistical errors and showed good agreements with these experiments. (author)
Techniques of nuclear structure calculations
Dyson, R.D.
1967-04-01
The quasiparticle method for identical particles interacting through pairing forces has been extended by others for use with systems of neutrons and protons. The method is to project isospin from separately considered neutron and proton quasiparticle wavefunctions. This is discussed in detail, and it seems that the projection may not be important. Therefore unprojected quasiparticle wavefunctions are tried with some success as a basis of states in which to diagonalize a realistic nuclear Hamiltonian. Brief unrelated calculations on nuclei of mass 19 and the SU(3) classification of states in the p-f shell are also presented. (author)
Neutronic calculation of reactor cells
Jaliff, J.O.
1981-01-01
Multigroup calculations of cylindrical pin cells were programmed, in Fortran IV, upon the basis of collision probabilities in each energy group. A rational approximation to the fuel-to-fuel collision probability in resonance groups was used. Together with the intermediate resonance theory, cross sections corrected for heterogeneity and absorber interactions were found. For the optimization of the program, the cell of a BWR reactor was taken as reference. Data for such a cell and the reactor's operating conditions are presented. PINCEL is a fast and flexible program, with checked results, around a 69-group library. (M.E.L.) [es
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
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
Methods for calculating nonconcave entropies
Touchette, Hugo
2010-01-01
Five different methods which can be used to analytically calculate entropies that are nonconcave as functions of the energy in the thermodynamic limit are discussed and compared. The five methods are based on the following ideas and techniques: (i) microcanonical contraction, (ii) metastable branches of the free energy, (iii) generalized canonical ensembles with specific illustrations involving the so-called Gaussian and Betrag ensembles, (iv) the restricted canonical ensemble, and (v) the inverse Laplace transform. A simple long-range spin model having a nonconcave entropy is used to illustrate each method
FRELIB, Failure Reliability Index Calculation
Parkinson, D.B.; Oestergaard, C.
1984-01-01
1 - Description of problem or function: Calculation of the reliability index given the failure boundary. A linearization point (design point) is found on the failure boundary for a stationary reliability index (min) and a stationary failure probability density function along the failure boundary, provided that the basic variables are normally distributed. 2 - Method of solution: Iteration along the failure boundary which must be specified - together with its partial derivatives with respect to the basic variables - by the user in a subroutine FSUR. 3 - Restrictions on the complexity of the problem: No distribution information included (first-order-second-moment-method). 20 basic variables (could be extended)
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.
Dissecting Reactor Antineutrino Flux Calculations
Sonzogni, A. A.; McCutchan, E. A.; Hayes, A. C.
2017-09-01
Current predictions for the antineutrino yield and spectra from a nuclear reactor rely on the experimental electron spectra from 235U, 239Pu, 241Pu and a numerical method to convert these aggregate electron spectra into their corresponding antineutrino ones. In the present work we investigate quantitatively some of the basic assumptions and approximations used in the conversion method, studying first the compatibility between two recent approaches for calculating electron and antineutrino spectra. We then explore different possibilities for the disagreement between the measured Daya Bay and the Huber-Mueller antineutrino spectra, including the 238U contribution as well as the effective charge and the allowed shape assumption used in the conversion method. We observe that including a shape correction of about +6 % MeV-1 in conversion calculations can better describe the Daya Bay spectrum. Because of a lack of experimental data, this correction cannot be ruled out, concluding that in order to confirm the existence of the reactor neutrino anomaly, or even quantify it, precisely measured electron spectra for about 50 relevant fission products are needed. With the advent of new rare ion facilities, the measurement of shape factors for these nuclides, for many of which precise beta intensity data from TAGS experiments already exist, would be highly desirable.
NATIONAL STORMWATER CALCULATOR USER'S GUIDE ...
The National Stormwater Calculator is a simple to use tool for computing small site hydrology for any location within the US. It estimates the amount of stormwater runoff generated from a site under different development and control scenarios over a long term period of historical rainfall. The analysis takes into account local soil conditions, slope, land cover and meteorology. Different types of low impact development (LID) practices (also known as green infrastructure) can be employed to help capture and retain rainfall on-site. Future climate change scenarios taken from internationally recognized climate change projections can also be considered. The calculator provides planning level estimates of capital and maintenance costs which will allow planners and managers to evaluate and compare effectiveness and costs of LID controls.The calculator’s primary focus is informing site developers and property owners on how well they can meet a desired stormwater retention target. It can be used to answer such questions as:• What is the largest daily rainfall amount that can be captured by a site in either its pre-development, current, or post-development condition?• To what degree will storms of different magnitudes be captured on site?• What mix of LID controls can be deployed to meet a given stormwater retention target?• How well will LID controls perform under future meteorological projections made by global climate change models?• What are the relativ
Adjoint electron Monte Carlo calculations
Jordan, T.M.
1986-01-01
Adjoint Monte Carlo is the most efficient method for accurate analysis of space systems exposed to natural and artificially enhanced electron environments. Recent adjoint calculations for isotropic electron environments include: comparative data for experimental measurements on electronics boxes; benchmark problem solutions for comparing total dose prediction methodologies; preliminary assessment of sectoring methods used during space system design; and total dose predictions on an electronics package. Adjoint Monte Carlo, forward Monte Carlo, and experiment are in excellent agreement for electron sources that simulate space environments. For electron space environments, adjoint Monte Carlo is clearly superior to forward Monte Carlo, requiring one to two orders of magnitude less computer time for relatively simple geometries. The solid-angle sectoring approximations used for routine design calculations can err by more than a factor of 2 on dose in simple shield geometries. For critical space systems exposed to severe electron environments, these potential sectoring errors demand the establishment of large design margins and/or verification of shield design by adjoint Monte Carlo/experiment
Dispersion relations in loop calculations
Kniehl, B.A.
1996-01-01
These lecture notes give a pedagogical introduction to the use of dispersion relations in loop calculations. We first derive dispersion relations which allow us to recover the real part of a physical amplitude from the knowledge of its absorptive part along the branch cut. In perturbative calculations, the latter may be constructed by means of Cutkosky's rule, which is briefly discussed. For illustration, we apply this procedure at one loop to the photon vacuum-polarization function induced by leptons as well as to the γf anti-f vertex form factor generated by the exchange of a massive vector boson between the two fermion legs. We also show how the hadronic contribution to the photon vacuum polarization may be extracted from the total cross section of hadron production in e + e - annihilation measured as a function of energy. Finally, we outline the application of dispersive techniques at the two-loop level, considering as an example the bosonic decay width of a high-mass Higgs boson. (author)
Neutronics calculation of RTP core
Rabir, Mohamad Hairie B.; Zin, Muhammad Rawi B. Mohamed; Karim, Julia Bt. Abdul; Bayar, Abi Muttaqin B. Jalal; Usang, Mark Dennis Anak; Mustafa, Muhammad Khairul Ariff B.; Hamzah, Na'im Syauqi B.; Said, Norfarizan Bt. Mohd; Jalil, Muhammad Husamuddin B.
2017-01-01
Reactor calculation and simulation are significantly important to ensure safety and better utilization of a research reactor. The Malaysian's PUSPATI TRIGA Reactor (RTP) achieved initial criticality on June 28, 1982. The reactor is designed to effectively implement the various fields of basic nuclear research, manpower training, and production of radioisotopes. Since early 90s, neutronics modelling were used as part of its routine in-core fuel management activities. The are several computer codes have been used in RTP since then, based on 1D neutron diffusion, 2D neutron diffusion and 3D Monte Carlo neutron transport method. This paper describes current progress and overview on neutronics modelling development in RTP. Several important parameters were analysed such as keff, reactivity, neutron flux, power distribution and fission product build-up for the latest core configuration. The developed core neutronics model was validated by means of comparison with experimental and measurement data. Along with the RTP core model, the calculation procedure also developed to establish better prediction capability of RTP's behaviour.
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....
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
SR 97 - Radionuclide transport calculations
Lindgren, Maria; Lindstroem, Fredrik
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 -8 Sv/yr for Aberg, 3x10 -8 Sv/yr for Beberg and 1x10 -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 -5 per year for the most exposed individuals recommended in regulations.) The conclusion that the maximum risk would lie well below 10 -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 -5 Sv/yr for Aberg, 8x10 -7 Sv/yr for Beberg and 3x10 -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 values. In that case almost all
Methodologies of Uncertainty Propagation Calculation
Chojnacki, Eric
2002-01-01
After recalling the theoretical principle and the practical difficulties of the methodologies of uncertainty propagation calculation, the author discussed how to propagate input uncertainties. He said there were two kinds of input uncertainty: - variability: uncertainty due to heterogeneity, - lack of knowledge: uncertainty due to ignorance. It was therefore necessary to use two different propagation methods. He demonstrated this in a simple example which he generalised, treating the variability uncertainty by the probability theory and the lack of knowledge uncertainty by the fuzzy theory. He cautioned, however, against the systematic use of probability theory which may lead to unjustifiable and illegitimate precise answers. Mr Chojnacki's conclusions were that the importance of distinguishing variability and lack of knowledge increased as the problem was getting more and more complex in terms of number of parameters or time steps, and that it was necessary to develop uncertainty propagation methodologies combining probability theory and fuzzy theory
Thermodynamic Calculations for Systems Biocatalysis
Abu, Rohana; Gundersen, Maria T.; Woodley, John M.
2015-01-01
the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...
Calculating utility prudency issue costs
Nielsen, K.R.
1985-01-01
The nuclear industry, particularly utilities and their construction, engineering and vendor agents, is faced with a surging increase in prudency management audits. What started as primarily a nuclear project-oriented requirement has spread to encompass most significant utility capital construction projects. Such audits are often a precedent condition to commencement of rate hearings. The cost engineer, a primary major capital construction project participant, is required to develop or critique ''prudency issue'' costs as part of such audits. Although utility costs in the broadest sense are potentially at issue, this paper concentrates on the typical project/construction management costs. The costs of design, procurement and construction are all subject to the calculation process
Shielding calculations. Optimization vs. Paradigms
Cornejo Diaz, Nestor; Hernandez Saiz, Alejandro; Martinez Gonzalez, Alina
2005-01-01
Many radiation shielding barriers in Cuba have been designed according to the criterion of Maxi-mum Projected Dose Rates. This fact has created the paradigm of low dose rates. Because of this, dose rate levels greater than units of Sv.h-1 would be considered unacceptable by many specialists, regardless of the real exposure times. Nowadays many shielding barriers are being designed using dose constraints in real exposure times. Behind the new barriers, dose rates could be notably greater than those behind the traditional ones, and it does not imply inadequate designs or constructive errors. In this work were obtained significant differences in dose rate levels and shield-ing thicknesses calculated by both methods for some typical installations. The work concludes that real exposure time approach is more adequate in order to optimise Radiation Protection, although this method should be carefully applied
Dyscalculia and the Calculating Brain.
Rapin, Isabelle
2016-08-01
Dyscalculia, like dyslexia, affects some 5% of school-age children but has received much less investigative attention. In two thirds of affected children, dyscalculia is associated with another developmental disorder like dyslexia, attention-deficit disorder, anxiety disorder, visual and spatial disorder, or cultural deprivation. Infants, primates, some birds, and other animals are born with the innate ability, called subitizing, to tell at a glance whether small sets of scattered dots or other items differ by one or more item. This nonverbal approximate number system extends mostly to single digit sets as visual discrimination drops logarithmically to "many" with increasing numerosity (size effect) and crowding (distance effect). Preschoolers need several years and specific teaching to learn verbal names and visual symbols for numbers and school agers to understand their cardinality and ordinality and the invariance of their sequence (arithmetic number line) that enables calculation. This arithmetic linear line differs drastically from the nonlinear approximate number system mental number line that parallels the individual number-tuned neurons in the intraparietal sulcus in monkeys and overlying scalp distribution of discrete functional magnetic resonance imaging activations by number tasks in man. Calculation is a complex skill that activates both visual and spatial and visual and verbal networks. It is less strongly left lateralized than language, with approximate number system activation somewhat more right sided and exact number and arithmetic activation more left sided. Maturation and increasing number skill decrease associated widespread non-numerical brain activations that persist in some individuals with dyscalculia, which has no single, universal neurological cause or underlying mechanism in all affected individuals. Copyright © 2016 Elsevier Inc. All rights reserved.
Stability calculations for MHD magnets
Turner, L.R.; Wang, S.T.; Harrang, J.
1978-01-01
When a cryostable composite conductor carrying current experiences a heat input from a mechanical perturbation, a normal region develops which initially propagates and then either collapses or continues to propagate. A computer model has been devised to study this phenomenon. The model incorporates initial or continuing heat input from mechanical perturbations, heat conducted to the neighboring elements of the conductor and, if appropriate, heat conducted through insulation to neighboring turns. Heat is transferred to the helium coolant according to a specified heat transfer coefficient. If the element of conductor is in a normal or current-sharing state, resistive heating also occurs. The (unstable) equilibrium state of heat generation and conduction has been studied; results agree with those of a static calculation. The model has been validated against experimental measurements of response to heat pulses. The model suffers from uncertainties in transient heat transfer to the helium, but even more from uncertainties in the perturbing heat pulse which the magnet might be expected to suffer
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.
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.
Not All Created Equally: Exploring Calculator Use by Students with Mild Intellectual Disability
Yakubova, Gulnoza; Bouck, Emily C.
2014-01-01
Calculators are widely used in mathematics education, yet limited research examines the effects of calculators for students with mild intellectual disability. An alternating treatments design was used to study the effects of calculator types (i.e., scientific and graphing) on the mathematical performance (i.e., computation and word problems) of…
Software testing in roughness calculation
Chen, Y L; Hsieh, P F; Fu, W E
2005-01-01
A test method to determine the function quality provided by the software for roughness measurement is presented in this study. The function quality of the software requirements should be part of and assessed through the entire life cycle of the software package. The specific function, or output accuracy, is crucial for the analysis of the experimental data. For scientific applications, however, commercial software is usually embedded with specific instrument, which is used for measurement or analysis during the manufacture process. In general, the error ratio caused by the software would be more apparent especially when dealing with relatively small quantities, like the measurements in the nanometer-scale range. The model of 'using a data generator' proposed by NPL of UK was applied in this study. An example of the roughness software is tested and analyzed by the above mentioned process. After selecting the 'reference results', the 'reference data' was generated by a programmable 'data generator'. The filter function of 0.8 mm long cutoff value, defined in ISO 11562 was tested with 66 sinusoid data at different wavelengths. Test results from commercial software and CMS written program were compared to the theoretical data calculated from ISO standards. As for the filter function in this software, the result showed a significant disagreement between the reference and test results. The short cutoff feature for filtering at the high frequencies does not function properly, while the long cutoff feature has the maximum difference in the filtering ratio, which is more than 70% between the wavelength of 300 μm and 500 μm. Conclusively, the commercial software needs to be tested more extensively for specific application by appropriate design of reference dataset to ensure its function quality
Nonlinear calculations for bump Cepheids
Hodson, S.W.; Cox, A.N.
1979-01-01
Hydrodynamic calculations to find strictly periodic solutions for the fundamental mode pulsations of 7 M/sub sun/ models were made using the von Sengbusch--Stellingwerf relaxation method. The models have a helium enrichment in the surface convection zones to Y = 0.78, which from the linear theory period ratio π 2 /π 0 and the Simon and Schmidt resonance hypothesis, should give the observed Hertzsprung progression of light and velocity curve bump phase with period. These surface helium enhanced models show the proper nonlinear bump phase behavior without resort to any mass loss before or during the blue loop phases of yellow giant evolution. At 6000 K and the evolution theory luminosity of 4744 L/sub sun/ for 7 M/sub sun/, that is, at a fundamental mode period of 8.5 day, the velocity curve bump is well after the maximum expansion velocity. At 5400 K and at the same luminosity (period of 12.5 days), there is a bump on the velocity curve well before maximum expansion velocity time. The latter case seems to exhibit the Christy echos but not the former. The echo interpretation may not be appropriate for these masses which are larger than the anomalous masses used by Christy, Stobie, and Adams. Resonance of the fundamental and second overtone modes should not necessarily show echos of surface disturbances from the center. The conclusion is that helium enrichment in the surface convection zones can adequately explain observations of bump Cepheids at evolution theory masses. 12 references
Calculation of the resonance cross section functions
Slipicevic, K.F.
1967-11-01
This paper includes the procedure for calculating the Doppler broadened line shape functions ψ and χ which are needed for calculation of resonance cross section functions. The obtained values are given in tables
Calculation of the resonance cross section functions
Slipicevic, K F [Institute of nuclear sciences Boris Kidric, Vinca, Beograd (Yugoslavia)
1967-11-15
This paper includes the procedure for calculating the Doppler broadened line shape functions {psi} and {chi} which are needed for calculation of resonance cross section functions. The obtained values are given in tables.
Results of recent calculations using realistic potentials
Friar, J.L.
1987-01-01
Results of recent calculations for the triton using realistic potentials with strong tensor forces are reviewed, with an emphasis on progress made using the many different calculational schemes. Several test problems are suggested. 49 refs., 5 figs
The cellular approach to band structure calculations
Verwoerd, W.S.
1982-01-01
A short introduction to the cellular approach in band structure calculations is given. The linear cellular approach and its potantial applicability in surface structure calculations is given some consideration in particular
Final disposal room structural response calculations
Stone, C.M.
1997-08-01
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
Buckling feedback of the spectral calculations
Jing Xingqing; Shan Wenzhi; Luo Jingyu
1992-01-01
This paper studies the problems about buckling feedback of spectral calculations in physical calculations of the reactor and presents a useful method by which the buckling feedback of spectral calculations is implemented. The effect of the buckling feedback in spectra and the broad group cross section, convergence of buckling feedback iteration and the effect of the spectral zones dividing are discussed in the calculations. This method has been used for the physical design of HTR-10 MW Test Module
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 be...
Two-dimensional sensitivity calculation code: SENSETWO
Yamauchi, Michinori; Nakayama, Mitsuo; Minami, Kazuyoshi; Seki, Yasushi; Iida, Hiromasa.
1979-05-01
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)
RHEIN, Modular System for Reactor Design Calculation
Reiche, Christian; Barz, Hansulrich; Kunzmann, Bernd; Seifert, Eberhard; Wand, Hartmut
1990-01-01
1 - Description of program or function: RHEIN is a modular reactor code system for neutron physics calculations. It consists of a small number of system codes for execution control, data management, and handling support, as well as of the physical calculation routines. The execution is controlled by input data containing mathematical and physical parameters and simple commands for routine calls and data manipulations. The calculation routines are in tune with one another and the system takes care of the data transfer between them. Cross-section libraries with self shielding parameters are added to the system. 2 - Method of solution: The calculation routines can be used for solving the following physics problems: - Calculation of cross-section sets for infinite mediums, taking into account chord length. - Zero-dimensional spectrum calculation in diffusion, P1, or B1 approximation. - One-dimensional calculation in diffusion, P1, or collision probability approximation. - Two-dimensional diffusion calculation. - Cell calculation by THERMOS. - Zone-wise homogenized group collapsing within zero, one, or two-dimensional models. - Normalization, summarizing, etc. - Output of cross-section sets to off systems Sn and Monte-Carlo calculations
Argosy 4 - A programme for lattice calculations
MacDougall, J.D.
1965-07-01
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
Ensuring the validity of calculated subcritical limits
Clark, H.K.
1977-01-01
The care taken at the Savannah River Laboratory and Plant to ensure the validity of calculated subcritical limits is described. Close attention is given to ANSI N16.1-1975, ''Validation of Calculational Methods for Nuclear Criticality Safety.'' The computer codes used for criticality safety computations, which are listed and are briefly described, have been placed in the SRL JOSHUA system to facilitate calculation and to reduce input errors. A driver module, KOKO, simplifies and standardizes input and links the codes together in various ways. For any criticality safety evaluation, correlations of the calculational methods are made with experiment to establish bias. Occasionally subcritical experiments are performed expressly to provide benchmarks. Calculated subcritical limits contain an adequate but not excessive margin to allow for uncertainty in the bias. The final step in any criticality safety evaluation is the writing of a report describing the calculations and justifying the margin
Second reference calculation for the WIPP
Branstetter, L.J.
1985-03-01
Results of the second reference calculation for the Waste Isolation Pilot Plant (WIPP) project using the dynamic relaxation finite element code SANCHO are presented. This reference calculation is intended to predict the response of a typical panel of excavated rooms designed for storage of nonheat-producing nuclear waste. Results are presented that include relevant deformations, relative clay seam displacements, and stress and strain profiles. This calculation is a particular solution obtained by a computer code, which has proven analytic capabilities when compared with other structural finite element codes. It is hoped that the results presented here will be useful in providing scoping values for defining experiments and for developing instrumentation. It is also hoped that the calculation will be useful as part of an exercise in developing a methodology for performing important design calculations by more than one analyst using more than one computer code, and for defining internal Quality Assurance (QA) procedures for such calculations. 27 refs., 15 figs
Methodology of shielding calculation for nuclear reactors
Maiorino, J.R.; Mendonca, A.G.; Otto, A.C.; Yamaguchi, Mitsuo
1982-01-01
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 n 0 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) [pt
Benchmarking criticality safety calculations with subcritical experiments
Mihalczo, J.T.
1984-06-01
Calculation of the neutron multiplication factor at delayed criticality may be necessary for benchmarking calculations but it may not be sufficient. The use of subcritical experiments to benchmark criticality safety calculations could result in substantial savings in fuel material costs for experiments. In some cases subcritical configurations could be used to benchmark calculations where sufficient fuel to achieve delayed criticality is not available. By performing a variety of measurements with subcritical configurations, much detailed information can be obtained which can be compared directly with calculations. This paper discusses several measurements that can be performed with subcritical assemblies and presents examples that include comparisons between calculation and experiment where possible. Where not, examples from critical experiments have been used but the measurement methods could also be used for subcritical experiments
Radiation damage calculations for compound materials
Greenwood, L.R.
1990-01-01
This paper reports on the SPECOMP computer code, developed to calculate neutron-induced displacement damage cross sections for compound materials such as alloys, insulators, and ceramic tritium breeders for fusion reactors. These new calculations rely on recoil atom energy distributions previously computed with the DISCS computer code, the results of which are stored in SPECTER computer code master libraries. All reaction channels were considered in the DISCS calculations and the neutron cross sections were taken from ENDF/B-V. Compound damage calculations with SPECOMP thus do not need to perform any recoil atom calculations and consequently need no access to ENDF or other neutron data bases. The calculations proceed by determining secondary displacements for each combination of recoil atom and matrix atom using the Lindhard partition of the recoil energy to establish the damage energy
Numerical calculation of the Fresnel transform.
Kelly, Damien P
2014-04-01
In this paper, we address the problem of calculating Fresnel diffraction integrals using a finite number of uniformly spaced samples. General and simple sampling rules of thumb are derived that allow the user to calculate the distribution for any propagation distance. It is shown how these rules can be extended to fast-Fourier-transform-based algorithms to increase calculation efficiency. A comparison with other theoretical approaches is made.
Nuclear data preparation and discrete ordinates calculation
Carmignani, B.
1980-01-01
These lectures deal with the use of the GAM-GATHER and GAM-THERMOS chains for the calculation of lattice cross sections and within use of the discrete ordinates one dimensional ANISN code for the calculation of criticality and flux distribution of the cell and of the whole reactor. As an example the codes are applied to the calculation of a PWR. Results of different approximations are compared. (author)
Calculation methods for determining dose equivalent
Endres, G.W.R.; Tanner, J.E.; Scherpelz, R.I.; Hadlock, D.E.
1988-01-01
A series of calculations of neutron fluence as a function of energy in an anthropomorphic phantom was performed to develop a system for determining effective dose equivalent for external radiation sources. critical organ dose equivalents are calculated and effective dose equivalents are determined using ICRP-26 methods. Quality factors based on both present definitions and ICRP-40 definitions are used in the analysis. The results of these calculations are presented and discussed
Feasibility study on embedded transport core calculations
Ivanov, B.; Zikatanov, L.; Ivanov, K.
2007-01-01
The main objective of this study is to develop an advanced core calculation methodology based on embedded diffusion and transport calculations. The scheme proposed in this work is based on embedded diffusion or SP 3 pin-by-pin local fuel assembly calculation within the framework of the Nodal Expansion Method (NEM) diffusion core calculation. The SP 3 method has gained popularity in the last 10 years as an advanced method for neutronics calculation. NEM is a multi-group nodal diffusion code developed, maintained and continuously improved at the Pennsylvania State University. The developed calculation scheme is a non-linear iteration process, which involves cross-section homogenization, on-line discontinuity factors generation, and boundary conditions evaluation by the global solution passed to the local calculation. In order to accomplish the local calculation, a new code has been developed based on the Finite Elements Method (FEM), which is capable of performing both diffusion and SP 3 calculations. The new code will be used in the framework of the NEM code in order to perform embedded pin-by-pin diffusion and SP 3 calculations on fuel assembly basis. The development of the diffusion and SP 3 FEM code is presented first following by its application to several problems. Description of the proposed embedded scheme is provided next as well as the obtained preliminary results of the C3 MOX benchmark. The results from the embedded calculations are compared with direct pin-by-pin whole core calculations in terms of accuracy and efficiency followed by conclusions made about the feasibility of the proposed embedded approach. (authors)
Reactor calculation benchmark PCA blind test results
Kam, F.B.K.; Stallmann, F.W.
1980-01-01
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
Reactor calculation benchmark PCA blind test results
Kam, F.B.K.; Stallmann, F.W.
1980-01-01
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.
Large scale calculations for hadron spectroscopy
Rebbi, C.
1985-01-01
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 16 3 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 saturated hydraulic conductivity of bentonite
He Jun
2006-01-01
Hydraulic conductivity test has some defects such as weak repeatability, time-consuming. Taking bentonite as dual porous media, the calculation formula of the distance, d 2 , between montmorillonite in intraparticle pores is deduced. Improved calculated method of hydraulic conductivity is obtained using d 2 and Poiseuille law. The method is valid through the comparison with results of test and other methods. The method is very convenient to calculate hydraulic conductivity of bentonite of certain montmorillonite content and void ratio. (authors)
Temperature Calculations in the Coastal Modeling System
2017-04-01
ERDC/CHL CHETN-IV-110 April 2017 Approved for public release; distribution is unlimited . Temperature Calculations in the Coastal Modeling...tide) and river discharge at model boundaries, wave radiation stress, and wind forcing over a model computational domain. Physical processes calculated...calculated in the CMS using the following meteorological parameters: solar radiation, cloud cover, air temperature, wind speed, and surface water temperature
Calculation of the Moments of Polygons.
1987-06-01
2.1) VowUK-1N0+IDIO TUUNTKPlNO.YKNO C Calculate AREA YKXK-YKPIND*IKNO-YKNO*XKP1NO AIKA-hEEA4YKXX C Calculate ACEIT ACENT (1)- ACEIT ( 1) VSUNI4TKIK... ACEIT (2) -ACENT(2) .VSUNYKXK C Calculate SECHON 3ECNON (1) -SCNON( 1) TKXK*(XX~PIdO*VSUNXKKO**2) SECNO(2) -SEn N(2) .yrf* (XKP114*YKP1MO.XKO*YXO+VB1hi
Calculation of the BREN house shielding experiments
Woolson, William A.; Gritzner, Michael L.
1987-01-01
The BREN house transmission experiments provide an excellent set of measurements to validate the calculational procedures that will be used to derive house shielding estimates for the revised dosimetry of the survivors of the Hiroshima and Nagasaki A-bombs. The BREN experiments were performed in realistic full scale models of Japanese residences. Although the radiation spectra and relative intensities of neutrons and gamma rays incident on the houses from the HPRR and the 60 Co source are not appropriate for direct application to the A-bomb survivors, they cover the full energy range of importance. The codes and calculations required to compare with BREN experiments are the same as those needed for the A-bomb dosimetry. They consist of a two-dimensional discrete-ordinates calculation of the free field coupled to an adjoint Monte Carlo calculation in detailed house geometry. The agreement obtained between calculations and the experiments is excellent for neutrons and 60 Co gamma rays. Every house transmission calculation spanning simple to complex configurations and detector locations for the 60 Co and HPRR was within an acceptable margin of error. The gamma-ray TF calculations for the reactor source did not agree well with the experiments. Analysis of this discrepancy, however, strongly indicates that the problem probably does not reside in the calculational procedure but in the measurements themselves. In conclusion, it is believed that the excellent agreement of our calculations with the BREN experiments validates the calculational procedure which is planed to be applied o estimating the house shielding for survivors of the Hiroshima and Nagasaki A-bombs. Certainly, the calculations for Hiroshima and Nagasaki will involve modifications to the code used for the computations reported here, but to the extent that these modifications involve increased calculational complexity to treat more realistic materials and configurations, the benchmark established by these
Comparison of RESRAD with hand calculations
Rittmann, P.D.
1995-09-01
This report is a continuation of an earlier comparison done with two other computer programs, GENII and PATHRAE. The dose calculations by the two programs were compared with each other and with hand calculations. These band calculations have now been compared with RESRAD Version 5.41 to examine the use of standard models and parameters in this computer program. The hand calculations disclosed a significant computational error in RESRAD. The Pu-241 ingestion doses are five orders of magnitude too small. In addition, the external doses from some nuclides differ greatly from expected values. Both of these deficiencies have been corrected in later versions of RESRAD
Calculation of Critical Temperatures by Empirical Formulae
Trzaska J.
2016-06-01
Full Text Available The paper presents formulas used to calculate critical temperatures of structural steels. Equations that allow calculating temperatures Ac1, Ac3, Ms and Bs were elaborated based on the chemical composition of steel. To elaborate the equations the multiple regression method was used. Particular attention was paid to the collection of experimental data which was required to calculate regression coefficients, including preparation of data for calculation. The empirical data set included more than 500 chemical compositions of structural steel and has been prepared based on information available in literature on the subject.
Range calculations using multigroup transport methods
Hoffman, T.J.; Robinson, M.T.; Dodds, H.L. Jr.
1979-01-01
Several aspects of radiation damage effects in fusion reactor neutron and ion irradiation environments are amenable to treatment by transport theory methods. In this paper, multigroup transport techniques are developed for the calculation of particle range distributions. These techniques are illustrated by analysis of Au-196 atoms recoiling from (n,2n) reactions with gold. The results of these calculations agree very well with range calculations performed with the atomistic code MARLOWE. Although some detail of the atomistic model is lost in the multigroup transport calculations, the improved computational speed should prove useful in the solution of fusion material design problems
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.
Some calculator programs for particle physics
Wohl, C.G.
1982-01-01
Seven calculator programs that do simple chores that arise in elementary particle physics are given. LEGENDRE evaluates the Legendre polynomial series Σa/sub n/P/sub n/(x) at a series of values of x. ASSOCIATED LEGENDRE evaluates the first-associated Legendre polynomial series Σb/sub n/P/sub n/ 1 (x) at a series of values of x. CONFIDENCE calculates confidence levels for chi 2 , Gaussian, or Poisson probability distributions. TWO BODY calculates the c.m. energy, the initial- and final-state c.m. momenta, and the extreme values of t and u for a 2-body reaction. ELLIPSE calculates coordinates of points for drawing an ellipse plot showing the kinematics of a 2-body reaction or decay. DALITZ RECTANGULAR calculates coordinates of points on the boundary of a rectangular Dalitz plot. DALITZ TRIANGULAR calculates coordinates of points on the boundary of a triangular Dalitz plot. There are short versions of CONFIDENCE (EVEN N and POISSON) that calculate confidence levels for the even-degree-of-freedom-chi 2 and the Poisson cases, and there is a short version of TWO BODY (CM) that calculates just the c.m. energy and initial-state momentum. The programs are written for the HP-97 calculator
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......The usual method to account for a finite number of blades in blade element calculations of wind turbine performance is through a tip loss factor. Most analyses use the tip loss approximation due to Prandtl which is easily and cheaply calculated but is known to be inaccurate at low tip speed ratio...
Reaction rate calculations via transmission coefficients
Feit, M.D.; Alder, B.J.
1985-01-01
The transmission coefficient of a wavepacket traversing a potential barrier can be determined by steady state calculations carried out in imaginary time instead of by real time dynamical calculations. The general argument is verified for the Eckart barrier potential by a comparison of transmission coefficients calculated from real and imaginary time solutions of the Schroedinger equation. The correspondence demonstrated here allows a formulation for the reaction rate that avoids difficulties due to both rare events and explicitly time dependent calculations. 5 refs., 2 figs
Core physics calculation and analysis for SNRE
Xie Jiachun; Zhao Shouzhi; Jia Baoshan
2010-01-01
Five different precise calculation models have been set up for Small Nuclear Rocket Engine (SNRE) core based on MCNP code, and then the effective multiplication constant, drum control worth and power distribution were calculated. The results from different models indicate that the model in which elements are homogeneous could be used in the reactivity calculation, but a detailed description of elements have to be used in the element internal power distribution calculation. The results of physics parameters show that the basic characteristics of SNRE are reasonable. The drum control worth is sufficient. The power distribution is symmetrical and reasonable. All of the parameters can satisfy the design requirement. (authors)
Bouck, Emily C.; Joshi, Gauri S.; Johnson, Linley
2013-01-01
This study assessed if students with and without disabilities used calculators (fourfunction, scientific, or graphing) to solve mathematics assessment problems and whether using calculators improved their performance. Participants were sixth and seventh-grade students educated with either National Science Foundation (NSF)-funded or traditional…
G. González Rey
2007-09-01
Full Text Available Mediante un modelo matemático son dadas las principales relaciones entre los parámetros geométricos básicos requeridosen la evaluación del diámetro de cresta exterior de un engranaje ortogonal de ruedas cónicas con dientes rectos y suma decorrecciones radiales iguales a cero. Adicionalmente, serán brindados algunos resultados que asocian la correspondenciaentre una geometría racional y la capacidad de carga de un engranaje cónico con restricciones del diámetro de crestaexterior. Para la determinación de los procedimientos de cálculo, los problemas planteados sobre los modelos matemáticoshan sido serán representados por medio de grafos bicromáticos.Palabras claves: Engranajes cónicos, diseño racional, modelo matemático._______________________________________________________________________________Abstract:By means of a mathematical model, the main relations for the evaluation of the outer tip diameter on straight bevelgear with sum of the profile shift coefficients equal to zero are given. Additionally, some results associated with arational geometry and high load capacities of straight bevel gear with restrictions in the outer tip diameter arepresented. For the determination of the calculation procedures based on mathematical models was used thetechnique of representation by means of graphs.Key words: Straight bevel gear, rational design, mathematical models, graphs technique.
Development of the code for filter calculation
Gritzay, O.O.; Vakulenko, M.M.
2012-01-01
This paper describes a calculation method, which commonly used in the Neutron Physics Department to develop a new neutron filter or to improve the existing neutron filter. This calculation is the first step of the traditional filter development procedure. It allows easy selection of the qualitative and quantitative contents of a composite filter in order to receive the filtered neutron beam with given parameters
The Monte Carlo applied for calculation dose
Peixoto, J.E.
1988-01-01
The Monte Carlo method is showed for the calculation of absorbed dose. The trajectory of the photon is traced simulating sucessive interaction between the photon and the substance that consist the human body simulator. The energy deposition in each interaction of the simulator organ or tissue per photon is also calculated. (C.G.C.) [pt
Thermohydraulic calculations of PWR primary circuits
Botelho, D.A.
1984-01-01
Some mathematical and numerical models from Retran computer codes aiming to simulate reactor transients, are presented. The equations used for calculating one-dimensional flow are integrated using mathematical methods from Flash code, with steam code to correlate the variables from thermodynamic state. The algorithm obtained was used for calculating a PWR reactor. (E.G.) [pt
Calculation of resonance integral for fuel cluster
Remsak, S.
1969-01-01
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 UO 2 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 [sr
Calculation and definition of safety indicators
Cristian, I.; Branzeu, N.; Vidican, D.; Vladescu, G.
1997-01-01
This paper presents, based on Cernavoda safety indicators proposal, the purpose definition and calculation formulas for each of the selected safety indicators. Five categories of safety indicators for Cernavoda Unit 1 were identified, namely: overall plant safety performance; initiating events; safety system availability, physical barrier integrity; indirect indicators. Definition, calculation and use of some safety indicators are shown in a tabular form. (authors)
Molecular mechanics calculations on cobalt phthalocyanine dimers
Heuts, J.P.A.; Schipper, E.T.W.M.; Piet, P.; German, A.L.
1995-01-01
In order to obtain insight into the structure of cobalt phthalocyanine dimers, molecular mechanics calculations were performed on dimeric cobalt phthalocyanine species. Molecular mechanics calculations are first presented on monomeric cobalt(II) phthalocyanine. Using the Tripos force field for the
Radiation protection calculations for diagnostic medical equipment
Klueter, R.
1992-01-01
The standards DIN 6812 and DIN 6844 define the radiation protection requirements to be met by biomedical radiography equipment or systems for nuclear medicine. The paper explains the use of a specific computer program for radiation protection calculations. The program offers menu-controlled calculation, with free choice of the relevant nuclides. (DG) [de
40 CFR 1065.650 - Emission calculations.
2010-07-01
... field testing, you may calculate the ratio of total mass to total work, where these individual values... negative work rate values in the integration to calculate total work from that work path. Some work paths may result in a negative total work. Include negative total work values from any work path in the...
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...
Local expressions for one-loop calculations
Wasson, D.A.; Koonin, S.E.
1991-01-01
We develop local expressions for the contributions of the short-wavelength vacuum modes to the one-loop vacuum energy. These expressions significantly improve the convergence properties of various ''brute-force'' calculational methods. They also provide a continuous series of approximations that interpolate between the brute-force calculations and the derivative expansion
GPU based acceleration of first principles calculation
Tomono, H; Tsumuraya, K; Aoki, M; Iitaka, T
2010-01-01
We present a Graphics Processing Unit (GPU) accelerated simulations of first principles electronic structure calculations. The FFT, which is the most time-consuming part, is about 10 times accelerated. As the result, the total computation time of a first principles calculation is reduced to 15 percent of that of the CPU.
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....
Reactor physics calculations on HTR type configurations
Klippel, H.T.; Hogenbirk, A.; Stad, R.C.L. van der; Janssen, A.J.; Kuijper, J.C.; Levin, P.
1995-04-01
In this paper a short description of the ECN nuclear analysis code system is given with respect to application in HTR reactor physics calculations. First results of calculations performed on the PROTEUS benchmark are shown. Also first results of a HTGR benchmark are given. (orig.).
Reactor physics calculations on HTR type configurations
Klippel, H.T.; Hogenbirk, A.; Stad, R.C.L. van der; Janssen, A.J.; Kuijper, J.C.; Levin, P.
1995-04-01
In this paper a short description of the ECN nuclear analysis code system is given with respect to application in HTR reactor physics calculations. First results of calculations performed on the PROTEUS benchmark are shown. Also first results of a HTGR benchmark are given. (orig.)
Calculated LET-Spectrum of Antiprotons
Bassler, Niels
-LET components resulting from the annihilation. Though, the calculations of dose-averaged LET in the entry region may suggest that the RBE of antiprotons in the plateau region could significantly differ from unity. Materials and Methods Monte Carlo simulations using FLUKA were performed for calculating...
First principles calculations for analysis martensitic transformations
Harmon, B.N.; Zhao, G.L.; Ho, K.M.; Chan, C.T.; Ye, Y.Y.; Ding, Y.; Zhang, B.L.
1993-01-01
The change in crystal energy is calculated for atomic displacements corresponding to phonons, elastic shears, and lattice transformations. Anomalies in the phonon dispersion curves of NiAl and NiTi are analyzed and recent calculations for TiPd alloys are presented
Data base to compare calculations and observations
Tichler, J.L.
1985-01-01
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
Calculation of neutron kerma in tissues
Vega C, H.R.; Manzanares A, E.
2004-01-01
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)
Dose calculation system for remotely supporting radiotherapy
Saito, K.; Kunieda, E.; Narita, Y.; Kimura, H.; Hirai, M.; Deloar, H. M.; Kaneko, K.; Ozaki, M.; Fujisaki, T.; Myojoyama, A.; Saitoh, H.
2005-01-01
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)
Non-perturbative background field calculations
Stephens, C.R.; Department of Physics, University of Utah, Salt Lake City, Utah 84112)
1988-01-01
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
The FLUKA atmospheric neutrino flux calculation
Battistoni, G.; Montaruli, T.; Sala, P.R.
2003-01-01
The 3-dimensional (3-D) calculation of the atmospheric neutrino flux by means of the FLUKA Monte Carlo model is here described in all details, starting from the latest data on primary cosmic ray spectra. The importance of a 3-D calculation and of its consequences have been already debated in a previous paper. Here instead the focus is on the absolute flux. We stress the relevant aspects of the hadronic interaction model of FLUKA in the atmospheric neutrino flux calculation. This model is constructed and maintained so to provide a high degree of accuracy in the description of particle production. The accuracy achieved in the comparison with data from accelerators and cross checked with data on particle production in atmosphere certifies the reliability of shower calculation in atmosphere. The results presented here can be already used for analysis by current experiments on atmospheric neutrinos. However they represent an intermediate step towards a final release, since this calculation does not yet include the...
Graphical Calculation of Estimated Energy Expenditure in Burn Patients.
Egro, Francesco M; Manders, Ernest C; Manders, Ernest K
2018-03-01
Historically, estimated energy expenditure (EEE) has been related to the percent of body surface area burned. Subsequent evaluations of these estimates have indicated that the earlier formulas may overestimate the amount of caloric support necessary for burn-injured patients. Ireton-Jones et al derived 2 equations for determining the EEE required to support burn patients, 1 for ventilator-dependent patients and 1 for spontaneously breathing patients. Evidence has proved their reliability, but they remain challenging to apply in a clinical setting given the difficult and cumbersome mathematics involved. This study aims to introduce a graphical calculation of EEE in burn patients that can be easily used in the clinical setting. The multivariant linear regression analysis from Ireton-Jones et al yielded equations that were rearranged into the form of a simple linear equation of the type y = mx + b. By choosing an energy expenditure and the age of the subject, the weight was calculated. The endpoints were then calculated, and a graph was mapped by means of Adobe FrameMaker. A graphical representation of Ireton-Jones et al's equations was obtained by plotting the weight (kg) on the y axis, the age (years) on the x axis, and a series of parallel lines representing the EEE in burn patients. The EEE has been displayed graphically on a grid to allow rapid determination of the EEE needed for a given patient of a designated weight and age. Two graphs were plotted: 1 for ventilator-dependent patients and 1 for spontaneously breathing patients. Correction factors for sex, the presence of additional trauma, and obesity are indicated on the graphical calculators. We propose a graphical tool to calculate caloric requirements in a fast, easy, and portable manner.
HP-67 calculator programs for thermodynamic data and phase diagram calculations
Brewer, L.
1978-01-01
This report is a supplement to a tabulation of the thermodynamic and phase data for the 100 binary systems of Mo with the elements from H to Lr. The calculations of thermodynamic data and phase equilibria were carried out from 5000 0 K to low temperatures. This report presents the methods of calculation used. The thermodynamics involved is rather straightforward and the reader is referred to any advanced thermodynamic text. The calculations were largely carried out using an HP-65 programmable calculator. In this report, those programs are reformulated for use with the HP-67 calculator; great reduction in the number of programs required to carry out the calculation results
Nuclear calculation of the thorium reactor
Hirakawa, Naohiro
1998-01-01
Even if for a reactor using thorium (and 233-U), its nuclear design calculation procedure is similar to the case using conventional 235-U, 238-U and plutonium. As nuclear composition varies with time on operation of nuclear reactor, calculation of its mean cross section should be conducted in details. At that time, one-group cross section obtained by integration over a whole of energy range is used for small member group. And, as the nuclear data for a base of its calculation is already prepared by JENDL3.2 and nuclear data library derived from it, the nuclear calculation of a nuclear reactor using thorium has no problem. From such a veiwpoint, IAEA has organized a coordinated research program of 'Potential of Th-based Fuel Cycles to Constrain Pu and to reduce Long-term Waste Toxicities' since 1996. All nations entering this program were regulated so as to institute by selecting a nuclear fuel cycle thinking better by each nation and to examine what cycle is expected by comparing their results. For a promise to conduct such neutral comparison, a comparison of bench mark calculations aiming at PWR was conducted to protect that the obtained results became different because of different calculation method and cross section adopted by each nation. Therefore, it was promoted by entrance of China, Germany, India, Israel, Japan, Korea, Russia and USA. The SWAT system developed by Tohoku University is used for its calculation code, by using which calculated results on the bench mark calculation at the fist and second stages and the nuclear reactor were reported. (G.K.)
Electron and bremsstrahlung penetration and dose calculation
Watts, J. W., Jr.; Burrell, M. O.
1972-01-01
Various techniques for the calculation of electron and bremsstrahlung dose deposition are described. Energy deposition, transmission, and reflection coefficients for electrons incident on plane slabs are presented, and methods for their use in electron dose calculations were developed. A method using the straight-ahead approximation was also developed, and the various methods were compared and found to be in good agreement. Both accurate and approximate methods of calculating bremsstrahlung dose were derived and compared. Approximation is found to give a good estimate of dose where the electron spectrum falls off exponentially with energy.
Importance iteration in MORSE Monte Carlo calculations
Kloosterman, J.L.; Hoogenboom, J.E.
1994-01-01
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 that shows that the obtained biasing parameters lead to a more efficient Monte Carlo calculation
IAEA sodium void reactivity benchmark calculations
Hill, R.N.; Finck, P.J.
1992-01-01
In this paper, the IAEA-1 992 ''Benchmark Calculation of Sodium Void Reactivity Effect in Fast Reactor Core'' problem is evaluated. The proposed design is a large axially heterogeneous oxide-fueled fast reactor as described in Section 2; the core utilizes a sodium plenum above the core to enhance leakage effects. The calculation methods used in this benchmark evaluation are described in Section 3. In Section 4, the calculated core performance results for the benchmark reactor model are presented; and in Section 5, the influence of steel and interstitial sodium heterogeneity effects is estimated
Improvements for Monte Carlo burnup calculation
Shenglong, Q.; Dong, Y.; Danrong, S.; Wei, L., E-mail: qiangshenglong@tsinghua.org.cn, E-mail: d.yao@npic.ac.cn, E-mail: songdr@npic.ac.cn, E-mail: luwei@npic.ac.cn [Nuclear Power Inst. of China, Cheng Du, Si Chuan (China)
2015-07-01
Monte Carlo burnup calculation is development trend of reactor physics, there would be a lot of work to be done for engineering applications. Based on Monte Carlo burnup code MOI, non-fuel burnup calculation methods and critical search suggestions will be mentioned in this paper. For non-fuel burnup, mixed burnup mode will improve the accuracy of burnup calculation and efficiency. For critical search of control rod position, a new method called ABN based on ABA which used by MC21 will be proposed for the first time in this paper. (author)
RA-0 reactor. New neutronic calculations
Rumis, D.; Leszczynski, F.
1990-01-01
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) [es
Calculating lattice thermal conductivity: a synopsis
Fugallo, Giorgia; Colombo, Luciano
2018-04-01
We provide a tutorial introduction to the modern theoretical and computational schemes available to calculate the lattice thermal conductivity in a crystalline dielectric material. While some important topics in thermal transport will not be covered (including thermal boundary resistance, electronic thermal conduction, and thermal rectification), we aim at: (i) framing the calculation of thermal conductivity within the general non-equilibrium thermodynamics theory of transport coefficients, (ii) presenting the microscopic theory of thermal conduction based on the phonon picture and the Boltzmann transport equation, and (iii) outlining the molecular dynamics schemes to calculate heat transport. A comparative and critical addressing of the merits and drawbacks of each approach will be discussed as well.
Neutronic parameters calculations of a CANDU reactor
Zamonsky, G.
1991-01-01
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) [es
Relativistic multiple scattering X-alpha calculations
Chermette, H.; Goursot, A.
1986-01-01
The necessity to include self-consistent relativistic corrections in molecular calculations has been pointed out for all compounds involving heavy atoms. Most of the changes in the electronic properties are due to the mass-velocity and the so-called Darwin terms so that the use of Wood and Boring's Hamiltonian is very convenient for this purpose as it can be easily included in MSXalpha programs. Although the spin orbit operator effects are only obtained by perturbation theory, the results compare fairly well with experiment and with other relativistic calculations, namely Hartree-Fock-Slater calculations
Subcritical calculation of the nuclear material warehouse
Garcia M, T.; Mazon R, R.
2009-01-01
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)
Hamming generalized corrector for reactivity calculation
Suescun-Diaz, Daniel; Ibarguen-Gonzalez, Maria C.; Figueroa-Jimenez, Jorge H.
2014-01-01
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 5 , where h is the time step. (orig.)
BN-600 Phase III benchmark calculations
Hill, R.N.; Grimm, K.N.
2002-01-01
Calculations for a Hexagonal-Z model of the BN-600 reactor with a partial mixed oxide loading, based on a joint IPPE/OBMK loading configuration that contained three uranium enrichment zones and one plutonium enrichment zone in the core, have been performed at ANL. Control-rod worths and reactivity feedback coefficients were calculated using both homogeneous and heterogeneous models. These values were calculated with either first-order perturbation theory methods (Triangle-Z geometry), nodal eigenvalue differences (Hexagonal-Z geometry), or Monte Carlo eigenvalue differences. Both spatially-dependent and region integrated values are shown
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
Shielding calculations for the SNO detector
Earle, E.D.; Wong, P.Y.
1987-05-01
The gamma-ray background into the central D 2 O vessel of the SNO detector due to Th and U in the rock, concrete, and photomultipliers is calculated. A cylindrical geometry and concrete thicknesses of 0.5 and 1 m are assumed. The effect of adding boron to the concrete is also considered. It is concluded that backgrounds from (α,n) reactions can be reduced to the required level. These calculations will assist in finalizing the detector design but additional calculations will be required as new design details become known
Importance iteration in MORSE Monte Carlo calculations
Kloosterman, J.L.; Hoogenboom, J.E.
1994-02-01
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.)
Radiation-damage calculations with NJOY
MacFarlane, R.E.; Muir, D.W.; Mann, F.W.
1983-01-01
Atomic displacement, gas production, transmutation, and nuclear heating can all be calculated with the NJOY nuclear data processing system using evaluated data in ENDF/B format. Using NJOY helps assure consistency between damage cross sections and those used for transport, and NJOY provides convenient interface formats for linking data to application codes. Unique features of the damage calculation include a simple momentum balance treatment for radiative capture and a new model for (n, particle) reactions based on statistical model calculations. Sample results for iron and nickel are given and compared with the results of other methods
Recent skyshine calculations at Jefferson Lab
Degtyarenko, P.
1997-01-01
New calculations of the skyshine dose distribution of neutrons and secondary photons have been performed at Jefferson Lab using the Monte Carlo method. The dose dependence on neutron energy, distance to the neutron source, polar angle of a source neutron, and azimuthal angle between the observation point and the momentum direction of a source neutron have been studied. The azimuthally asymmetric term in the skyshine dose distribution is shown to be important in the dose calculations around high-energy accelerator facilities. A parameterization formula and corresponding computer code have been developed which can be used for detailed calculations of the skyshine dose maps
Calculation and measurement of fog droplet size
Laali, A.R.; Courant, J.J.; Kleitz, A.
1991-01-01
This paper outlines the elements involved in calculation and measurement of fog droplet size in steam turbines. The condensation calculations are performed for a 600 MW LP fossil fired, and for a 900 MW LP nuclear turbine. A simplified method based on classical condensation theory is used for these calculations. The fog droplet size measurement are carried out downstream of the last moving blades of these turbines in order to validate the program. The comparison between the results could lead to a better understanding of the condensation process in steam turbines. Some large droplet (re-entrained droplet) measurements are also taken using a microvideo probe
Equivalent-spherical-shield neutron dose calculations
Russell, G.J.; Robinson, H.
1988-01-01
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
Fluidization calculation on nuclear fuel kernel coating
Sukarsono; Wardaya; Indra-Suryawan
1996-01-01
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
Massively parallel sparse matrix function calculations with NTPoly
Dawson, William; Nakajima, Takahito
2018-04-01
We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area is diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly's interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.
Soetevent, A.R.
2010-01-01
This paper extends Hotelling's model of price competition with quadratic transportation costs from a line to graphs. I propose an algorithm to calculate firm-level demand for any given graph, conditional on prices and firm locations. One feature of graph models of price competition is that spatial
Varga, E.; Visi, Gy.
1982-01-01
Mathematical programmes are given for calculator type PTK 1072 (Hungarian made), to make easier the lengthy calculations applied in examinations in laboratories for control of radioactive materials in food. Basic consideration of making a programme, the method, the mathematical formulae, the variations of calculation and control of program are shown by examples. Making programmes for calculators of other types, too, can be facilitated by adapting the basic consideration. (author)
Learning to Calculate and Learning Mathematics.
Fearnley-Sander, Desmond
1980-01-01
A calculator solution of a simple computational problem is discussed with emphasis on its ramifications for the understanding of some fundamental theorems of pure mathematics and techniques of computing. (Author/MK)
Benchmark calculations of power distribution within assemblies
Cavarec, C.; Perron, J.F.; Verwaerde, D.; West, J.P.
1994-09-01
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 (P ij , S n , Monte Carlo). This report presents an analysis and intercomparisons of all the results received
Methods of bone marrow dose calculation
Taboaco, R.C.
1982-02-01
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) [pt
Simplified dose calculation method for mantle technique
Scaff, L.A.M.
1984-01-01
A simplified dose calculation method for mantle technique is described. In the routine treatment of lymphom as using this technique, the daily doses at the midpoints at five anatomical regions are different because the thicknesses are not equal. (Author) [pt
Numerical calculations in quantum field theories
Rebbi, C.
1984-01-01
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
Fluorescein isothiocyanate: Molecular characterization by theoretical calculations
Casanovas, Jordi [Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, c/Jaume II No 69, Lleida E-25001 (Spain); Jacquemin, Denis [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium)], E-mail: denis.jacquemin@fundp.ac.be; Perpete, Eric A. [Laboratoire de Chimie Theorique Appliquee, Facultes Universitaires Notre-Dame de la Paix, rue de Bruxelles, 61, B-5000 Namur (Belgium); Aleman, Carlos [Departament d' Enginyeria Quimica, E. T. S. d' Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E-08028 (Spain)], E-mail: carlos.aleman@upc.edu
2008-12-10
Quantum mechanical calculations have been used to investigate the conformation, molecular geometry, basicity and spectroscopic properties of fluorescein isothiocyanate in both the gas-phase and aqueous solution. Specifically, calculations have been performed considering the neutral, monoanionic and dianionic forms of this important fluorescent compound. Results reveal that for the neutral form multiple conformational states are possible, all them with significant contributions, and the stability of the different conformers is similar in the gas-phase and aqueous solution. Calculation of the excitation energies revealed that spectroscopic properties are very sensitive to the relaxation effect in solution. A good agreement has been reached obtained between the experimental and theoretical values derived from time-dependent density functional theory methods for the neutral form, whereas for charged species the calculations fail to accurately reproduce the measured trends.
Resonance integral calculations for high temperature reactors
Blake, J.P.H.
1960-02-01
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)
molecular dynamics simulations and quantum chemical calculations
ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.
Nuclear structure calculations for astrophysical applications
Moeller, P.; Kratz, K.L.
1992-01-01
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
Spreadsheet eases heat balance, payback calculations
Conner, K.P.
1992-01-01
This paper reports that a generalized Lotus type spreadsheet program has been developed to perform the heat balance and simple payback calculations for various turbine-generator (TG) inlet steam pressures. It can be used for potential plant expansions or new cogeneration installations. The program performs the basic heat balance calculations that are associated with turbine-generator, feedwater heating process steam requirements and desuperheating. The printout, shows the basic data and formulation used in the calculations. The turbine efficiency data used are applicable for automatic extraction turbine-generators in the 30-80 MW range. Simple payback calculations are for chemical recovery boilers and power boilers used in the pulp and paper industry. However, the program will also accommodate boilers common to other industries
Calculation of a toroidal labyrinth shields
Sul'kin, A.G.
1979-01-01
Calculation of protective case with a toroidal labyrinth channel, being one of the main design elements of hose gamma-devices, is presented. The case provides relative isotropic distribution of radiation outside protection limits. The main geometric parameters of the channel are determined: r-radius of the channel hole, rho-bend radius of the channel axis, β-angle of the channel bend. General exposure dose rate of γ-radiation in the detection point at l distance (usually l=100 m during calculations), is also calculated. Differential current dose albedo values have been found for certain combinations of parameters of the labyrinth channel. It is considered for simplification of labyrinth channel calculations, that backward radiation scattering passes, without energy change and isotropically, due to which differential current albedo values of γ-radiation for any incidence angle may be determined from integral albedo current values by the empirie formula
Calculation methods for determining dose equivalent
Endres, G.W.R.; Tanner, J.E.; Scherpelz, R.I.; Hadlock, D.E.
1987-11-01
A series of calculations of neutron fluence as a function of energy in an anthropomorphic phantom was performed to develop a system for determining effective dose equivalent for external radiation sources. Critical organ dose equivalents are calculated and effective dose equivalents are determined using ICRP-26 [1] methods. Quality factors based on both present definitions and ICRP-40 definitions are used in the analysis. The results of these calculations are presented and discussed. The effective dose equivalent determined using ICRP-26 methods is significantly smaller than the dose equivalent determined by traditional methods. No existing personnel dosimeter or health physics instrument can determine effective dose equivalent. At the present time, the conversion of dosimeter response to dose equivalent is based on calculations for maximal or ''cap'' values using homogeneous spherical or cylindrical phantoms. The evaluated dose equivalent is, therefore, a poor approximation of the effective dose equivalent as defined by ICRP Publication 26. 3 refs., 2 figs., 1 tab
Relativistic Calculations for Be-like Iron
Yang Jianhui; Zhang Jianping; Li Ping; Li Huili
2008-01-01
Relativistic configuration interaction calculations for the states of 1s 2 2s 2 , 1s 2 2s3l (l = s,p,d) and 1s 2 2p3l (l = s,p,d) configurations of iron are carried out using relativistic configuration interaction (RCI) and multi-configuration Dirac-Fock (MCDF) method in the active interaction approach. In the present calculation, a large-scale configuration expansion was used in describing the target states. These results are extensively compared with other available calculative and experimental and observed values, the corresponding present results are in good agreement with experimental and observed values, and some differences are found with other available calculative values. Because more relativistic effects are considered than before, the present results should be more accurate and reliable
Parallel computational in nuclear group constant calculation
Su'ud, Zaki; Rustandi, Yaddi K.; Kurniadi, Rizal
2002-01-01
In this paper parallel computational method in nuclear group constant calculation using collision probability method will be discuss. The main focus is on the calculation of collision matrix which need large amount of computational time. The geometry treated here is concentric cylinder. The calculation of collision probability matrix is carried out using semi analytic method using Beckley Naylor Function. To accelerate computation speed some computer parallel used to solve the problem. We used LINUX based parallelization using PVM software with C or fortran language. While in windows based we used socket programming using DELPHI or C builder. The calculation results shows the important of optimal weight for each processor in case there area many type of processor speed
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...... to 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...
Calculation models for a nuclear reactor
Tashanii, Ahmed Ali
2010-01-01
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)
Dose rate calculations for a reconnaissance vehicle
Grindrod, L.; Mackey, J.; Salmon, M.; Smith, C.; Wall, S.
2005-01-01
A Chemical Nuclear Reconnaissance System (CNRS) has been developed by the British Ministry of Defence to make chemical and radiation measurements on contaminated terrain using appropriate sensors and recording equipment installed in a land rover. A research programme is under way to develop and validate a predictive capability to calculate the build-up of contamination on the vehicle, radiation detector performance and dose rates to the occupants of the vehicle. This paper describes the geometric model of the vehicle and the methodology used for calculations of detector response. Calculated dose rates obtained using the MCBEND Monte Carlo radiation transport computer code in adjoint mode are presented. These address the transient response of the detectors as the vehicle passes through a contaminated area. Calculated dose rates were found to agree with the measured data to be within the experimental uncertainties, thus giving confidence in the shielding model of the vehicle and its application to other scenarios. (authors)
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...
Reactor physics calculations in the Nordic countries
Hoeglund, R.
1995-01-01
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
Non-perturbative background field calculations
Stephens, C. R.
1988-01-01
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.
Carbon Footprint Calculator | Climate Change | US EPA
2016-12-12
An interactive calculator to estimate your household's carbon footprint. This tool will estimate carbon pollution emissions from your daily activities and show how to reduce your emissions and save money through simple steps.
Calculation of tritium release from reactor's stack
Akhadi, M.
1996-01-01
Method for calculation of tritium release from nuclear to environment has been discussed. Part of gas effluent contain tritium in form of HTO vapor released from reactor's stack was sampled using silica-gel. The silica-gel was put in the water to withdraw HTO vapor absorbed by silica-gel. Tritium concentration in the water was measured by liquid scintillation counter of Aloka LSC-703. Tritium concentration in the gas effluent and total release of tritium from reactor's stack during certain interval time were calculated using simple mathematic formula. This method has examined for calculation of tritium release from JRR-3M's stack of JAERI, Japan. From the calculation it was obtained the value of tritium release as much as 4.63 x 10 11 Bq during one month. (author)
Infinite slab-shield dose calculations
Russell, G.J.
1989-01-01
I calculated neutron and gamma-ray equivalent doses leaking through a variety of infinite (laminate) slab-shields. In the shield computations, I used, as the incident neutron spectrum, the leakage spectrum (<20 MeV) calculated for the LANSCE tungsten production target at 90 degree to the target axis. The shield thickness was fixed at 60 cm. The results of the shield calculations show a minimum in the total leakage equivalent dose if the shield is 40-45 cm of iron followed by 20-15 cm of borated (5% B) polyethylene. High-performance shields can be attained by using multiple laminations. The calculated dose at the shield surface is very dependent on shield material. 4 refs., 4 figs., 1 tab
Popsicle Sticks, Computers, and Calculators: Important Considerations.
Abel, Jean; And Others
1987-01-01
Three lessons on division for grade 4 are presented, the first using manipulative materials; the second, the computer; and the third, the calculator. Advantages and disadvantages of each are discussed. (MNS)
Precipitates/Salts Model Sensitivity Calculation
Mariner, P.
2001-01-01
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 (CO 2 ) on the chemical evolution of water in the drift
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...
Precise Calculation of Complex Radioactive Decay Chains
Harr, Logan J
2007-01-01
...). An application of the exponential moments function is used with a transmutation matrix in the calculation of complex radioactive decay chains to achieve greater precision than can be attained through current methods...
Radiation damage calculations for compound materials
Greenwood, L.R.
1989-01-01
Displacement damage calculations can be performed for 40 elements in the energy range up to 20 MeV with the SPECTER computer code. A recent addition to the code, called SPECOMP, can intermix atomic recoil energy distributions for any four elements to calculate the proper displacement damage for compound materials. The calculations take advantage of the atomic recoil data in the SPECTER libraries, which were determined by the DISCS computer code, using evaluated neutron cross section and angular distribution data in ENDF/B-V. Resultant damage cross sections for any compound can be added to the SPECTER libraries for the routine calculation of displacements in any given neutron field. Users do not require access to neutron cross section files. Results are presented for a variety of fusion materials and a new ceramic superconductor material. Future plans and nuclear data needs are discussed. 11 refs., 6 figs., 1 tab
Dose-Response Calculator for ArcGIS
Hanser, Steven E.; Aldridge, Cameron L.; Leu, Matthias; Nielsen, Scott E.
2011-01-01
The Dose-Response Calculator for ArcGIS is a tool that extends the Environmental Systems Research Institute (ESRI) ArcGIS 10 Desktop application to aid with the visualization of relationships between two raster GIS datasets. A dose-response curve is a line graph commonly used in medical research to examine the effects of different dosage rates of a drug or chemical (for example, carcinogen) on an outcome of interest (for example, cell mutations) (Russell and others, 1982). Dose-response curves have recently been used in ecological studies to examine the influence of an explanatory dose variable (for example, percentage of habitat cover, distance to disturbance) on a predicted response (for example, survival, probability of occurrence, abundance) (Aldridge and others, 2008). These dose curves have been created by calculating the predicted response value from a statistical model at different levels of the explanatory dose variable while holding values of other explanatory variables constant. Curves (plots) developed using the Dose-Response Calculator overcome the need to hold variables constant by using values extracted from the predicted response surface of a spatially explicit statistical model fit in a GIS, which include the variation of all explanatory variables, to visualize the univariate response to the dose variable. Application of the Dose-Response Calculator can be extended beyond the assessment of statistical model predictions and may be used to visualize the relationship between any two raster GIS datasets (see example in tool instructions). This tool generates tabular data for use in further exploration of dose-response relationships and a graph of the dose-response curve.
Calculation Of Pneumatic Attenuation In Pressure Sensors
Whitmore, Stephen A.
1991-01-01
Errors caused by attenuation of air-pressure waves in narrow tubes calculated by method based on fundamental equations of flow. Changes in ambient pressure transmitted along narrow tube to sensor. Attenuation of high-frequency components of pressure wave calculated from wave equation derived from Navier-Stokes equations of viscous flow in tube. Developed to understand and compensate for frictional attenuation in narrow tubes used to connect aircraft pressure sensors with pressure taps on affected surfaces.
Hartree-Fock calculations of nuclear masses
Quentin, P.
1976-01-01
Hartree-Fock calculations pertaining to the determination of nuclear binding energies throughout the whole chart of nuclides are reviewed. Such an approach is compared with other methods. Main techniques in use are shortly presented. Advantages and drawbacks of these calculations are also discussed with a special emphasis on the extrapolation towards nuclei far from the stability valley. Finally, a discussion of some selected results from light to superheavy nuclei, is given [fr
PROSPECTS OF MANAGEMENT ACCOUNTING AND COST CALCULATION
Marian TAICU
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...
Three dimensional diffusion calculations of nuclear reactors
Caspo, N.
1981-07-01
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.)
Science in Action: National Stormwater Calculator (SWC) ...
Stormwater discharges continue to cause impairment of our Nation’s waterbodies. Regulations that require the retention and/or treatment of frequent, small storms that dominate runoff volumes and pollutant loads are becoming more common. EPA has developed the National Stormwater Calculator (SWC) to help support local, state, and national stormwater management objectives to reduce runoff through infiltration and retention using green infrastructure practices as low impact development (LID) controls. To inform the public on what the Stormwater Calculator is used for.
Characteristic parameters of drift chambers calculation
Duran, I.; Martinez-Laso, L.
1989-01-01
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
Exact and approximate multiple diffraction calculations
Alexander, Y.; Wallace, S.J.; Sparrow, D.A.
1976-08-01
A three-body potential scattering problem is solved in the fixed scatterer model exactly and approximately to test the validity of commonly used assumptions of multiple scattering calculations. The model problem involves two-body amplitudes that show diffraction-like differential scattering similar to high energy hadron-nucleon amplitudes. The exact fixed scatterer calculations are compared to Glauber approximation, eikonal-expansion results and a noneikonal approximation
Calculating Cumulative Binomial-Distribution Probabilities
Scheuer, Ernest M.; Bowerman, Paul N.
1989-01-01
Cumulative-binomial computer program, CUMBIN, one of set of three programs, calculates cumulative binomial probability distributions for arbitrary inputs. CUMBIN, NEWTONP (NPO-17556), and CROSSER (NPO-17557), used independently of one another. Reliabilities and availabilities of k-out-of-n systems analyzed. Used by statisticians and users of statistical procedures, test planners, designers, and numerical analysts. Used for calculations of reliability and availability. Program written in C.
Site response calculations for nuclear power plants
Wight, L.H.
1975-01-01
Six typical sites consisting of three soil profiles with average shear wave velocities of 800, 1800, and 5000 ft/sec as well as two soil depths of 200 and 400 ft were considered. Seismic input to these sites was a synthetic accelerogram applied at the surface and corresponding to a statistically representative response spectrum. The response of each of these six sites to this input was calculated with the SHAKE program. The results of these calculations are presented
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)
Computer calculations of compressibility of natural gas
Abou-Kassem, J.H.; Mattar, L.; Dranchuk, P.M
An alternative method for the calculation of pseudo reduced compressibility of natural gas is presented. The method is incorporated into the routines by adding a single FORTRAN statement before the RETURN statement. The method is suitable for computer and hand-held calculator applications. It produces the same reduced compressibility as other available methods but is computationally superior. Tabular definitions of coefficients and comparisons of predicted pseudo reduced compressibility using different methods are presented, along with appended FORTRAN subroutines. 7 refs., 2 tabs.
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)
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.
Thermodynamic calculation of a district energy cycle
Hoehlein, B.; Bauer, A.; Kraut, G.; Scherberich, F.D.
1975-08-01
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.) [de
Unambiguity of renormalization group calculations in QCD
Vladimirov, A.A.
1979-01-01
A detailed analysis of the reduction of ambiguities determined by an arbitrary renormalization scheme is presented for the renormalization group calculations of physical quantities in quantum chromodynamics (QCD). Some basic formulas concerning the renormalization-scheme dependence of Green's and renormalization group functions are given. A massless asymptotically free theory with one coupling constant g is considered. In conclusion, several rules for renormalization group calculations in QCD are formulated
Nuclear friction calculated from nucleon currents
Pi, M.; Vinas, X.; Barranco, M.; La Rana, G.; Leray, S.; Lucas, R.; Ngo, C.; Tomasi, E.
1984-01-01
Nuclear friction can be connected to the number of nucleons exchanged between two interacting nuclei. The proximity scaling allows to reduce this problem to a calculation of the nucleon current between two semi infinite slabs of nuclear matter facing each other. In this paper we review the approximations and the results concerning this problem with a special emphasis on the physical ideas. Applications of nucleons currents to Fermi jets and to the calculation of a part of the imaginary potential are also discussed
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....
Thermal calculations for water cooled research reactors
Fabrega, S.
1979-01-01
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
Broyden's method in nuclear structure calculations
Baran, Andrzej; Bulgac, Aurel; Forbes, Michael McNeil; Hagen, Gaute; Nazarewicz, Witold; Schunck, Nicolas; Stoitsov, Mario V.
2008-01-01
Broyden's method, widely used in quantum chemistry electronic-structure calculations for the numerical solution of nonlinear equations in many variables, is applied in the context of the nuclear many-body problem. Examples include the unitary gas problem, the nuclear density functional theory with Skyrme functionals, and the nuclear coupled-cluster theory. The stability of the method, its ease of use, and its rapid convergence rates make Broyden's method a tool of choice for large-scale nuclear structure calculations
31 CFR 205.27 - How are Interest Calculation Costs calculated?
2010-07-01
... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false How are Interest Calculation Costs calculated? 205.27 Section 205.27 Money and Finance: Treasury Regulations Relating to Money and Finance... this subpart A, other than Interest Calculation Costs, are subject to the procedures and principles of...
Exact-exchange-based quasiparticle calculations
Aulbur, Wilfried G.; Staedele, Martin; Goerling, Andreas
2000-01-01
One-particle wave functions and energies from Kohn-Sham calculations with the exact local Kohn-Sham exchange and the local density approximation (LDA) correlation potential [EXX(c)] are used as input for quasiparticle calculations in the GW approximation (GWA) for eight semiconductors. Quasiparticle corrections to EXX(c) band gaps are small when EXX(c) band gaps are close to experiment. In the case of diamond, quasiparticle calculations are essential to remedy a 0.7 eV underestimate of the experimental band gap within EXX(c). The accuracy of EXX(c)-based GWA calculations for the determination of band gaps is as good as the accuracy of LDA-based GWA calculations. For the lowest valence band width a qualitatively different behavior is observed for medium- and wide-gap materials. The valence band width of medium- (wide-) gap materials is reduced (increased) in EXX(c) compared to the LDA. Quasiparticle corrections lead to a further reduction (increase). As a consequence, EXX(c)-based quasiparticle calculations give valence band widths that are generally 1-2 eV smaller (larger) than experiment for medium- (wide-) gap materials. (c) 2000 The American Physical Society
Whole core burnup calculations using 'MCNP'
Haran, O.; Shaham, Y.
1996-01-01
Core parameters such as the reactivity, the power distribution and different reactivity coefficients calculated in simulations play an important role in the nuclear reactor handling. Operational safety margins are decided upon, based on the calculated parameters. Thus, the ability to accurately calculate those parameters is of uppermost importance. Such ability exists for fresh cores, using the Monte-Carlo method. The change in the core parameters that results from the core burnup is nowadays calculated within transport codes that simplifies the transport process by using approximations such as the diffusion approximation. The inaccuracy in the burned core parameters arising from the use of such approximations is hard to quantify, leading to an increased gap between the operational routines and the safety limits. A Monte Carlo transport code that caries out accurate static calculations in three dimensional geometries using continuous-energy neutron cross-section data such as the MCNP can be used to generate accurate reaction rates for burnup purposes. Monte Carlo method is statistical by nature, so that the reaction rates calculated will be accurate only to a certain known extent. The purpose of this work was to create a burnup routine that uses the capabilities of the Monte Carlo based MCNP code. It should be noted that burnup using Monte Carlo has been reported in the literatures, but this work is the result of an independent effort (authors)
Program for the surface muon spectra calculation
Arkatov, Yu.M.; Voloshchuk, V.I.; Zolenko, V.A.; Prokhorets, I.M.; Soldatov, S.A.
1987-01-01
Program for the ''surface'' muon spectrum calculation is described. The algorithm is based on simulation of coordinates of π-meson birth point and direction of its escape from meson-forming target (MFT) according to angular distribution with the use of Monte Carlo method. Ionization losses of π-(μ)-mesons in the target are taken into account in the program. Calculation of ''surface'' muon spectrum is performed in the range of electron energies from 150 MeV up to 1000 MeV. Spectra of π-mesons are calculated with account of ionization losses in the target and without it. Distributions over lengths of π-meson paths in MFT and contribution of separate sections of the target to pion flux at the outlet of meson channel are calculated as well. Meson-forming target for calculation can be made of any material. The program provides for the use of the MFT itself in the form of photon converter or photon converter is located in front of the target. The program is composed of 13 subprograms; 2 of them represent generators of pseudorandom numbers, distributed uniformly in the range from 0 up to 1, and numbers with Gauss distribution. Example of calculation for copper target of 3 cm length, electron beam current-1 μA, energy-300 MeV is presented
Whole core burnup calculations using `MCNP`
Haran, O; Shaham, Y [Israel Atomic Energy Commission, Beersheba (Israel). Nuclear Research Center-Negev
1996-12-01
Core parameters such as the reactivity, the power distribution and different reactivity coefficients calculated in simulations play an important role in the nuclear reactor handling. Operational safety margins are decided upon, based on the calculated parameters. Thus, the ability to accurately calculate those parameters is of uppermost importance. Such ability exists for fresh cores, using the Monte-Carlo method. The change in the core parameters that results from the core burnup is nowadays calculated within transport codes that simplifies the transport process by using approximations such as the diffusion approximation. The inaccuracy in the burned core parameters arising from the use of such approximations is hard to quantify, leading to an increased gap between the operational routines and the safety limits. A Monte Carlo transport code that caries out accurate static calculations in three dimensional geometries using continuous-energy neutron cross-section data such as the MCNP can be used to generate accurate reaction rates for burnup purposes. Monte Carlo method is statistical by nature, so that the reaction rates calculated will be accurate only to a certain known extent. The purpose of this work was to create a burnup routine that uses the capabilities of the Monte Carlo based MCNP code. It should be noted that burnup using Monte Carlo has been reported in the literatures, but this work is the result of an independent effort (authors).
Subsurface Shielding Source Term Specification Calculation
S.Su
2001-01-01
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
Calculational examination of the Baneberry event
Terhune, R.W.; Glenn, H.D.; Burton, D.E.; McKague, H.L.; Rambo, J.T.
1977-01-01
On December 18, 1970, Baneberry, a 10-kt nuclear device, was detonated at a depth of 278 m in hole U8d at the Nevada Test Site. A shock-induced fissure near ground zero opened and vented radioactive gases and debris into the atmosphere. This report presents the calculational results describing the sequence of dynamic phenomena that produced the vent. The calculations predict the long positive velocity pulse and the surface motion that were observed experimentally. The surface fissure through which the material vented is the same radial distance from ground zero as the maximum horizontal displacement is calculated to be. The calculations predict a final cavity radius that is very close to the measured Baneberry cavity radius. Finally, the calculations indicate that an open fracture path runs from the cavity to the Baneberry Fault, up the fault to the spall region, and then vertically to the surface. This was the vent path predicted by calculations and is consistent with the vent path found from the radioactivity in postshot drill holes. Because of our extensions in computational capabilities, we believe this report advances the state of the art for numerical simulation of the containment problems associated with underground nuclear tests
Calculating PageRank in a changing network with added or removed edges
Engström, Christopher; Silvestrov, Sergei
2017-01-01
PageRank was initially developed by S. Brinn and L. Page in 1998 to rank homepages on the Internet using the stationary distribution of a Markov chain created using the web graph. Due to the large size of the web graph and many other real world networks fast methods to calculate PageRank is needed and even if the original way of calculating PageRank using a Power iterations is rather fast, many other approaches have been made to improve the speed further. In this paper we will consider the problem of recalculating PageRank of a changing network where the PageRank of a previous version of the network is known. In particular we will consider the special case of adding or removing edges to a single vertex in the graph or graph component.
Effective connectivity reveals strategy differences in an expert calculator.
Ludovico Minati
Full Text Available Mathematical reasoning is a core component of cognition and the study of experts defines the upper limits of human cognitive abilities, which is why we are fascinated by peak performers, such as chess masters and mental calculators. Here, we investigated the neural bases of calendrical skills, i.e. the ability to rapidly identify the weekday of a particular date, in a gifted mental calculator who does not fall in the autistic spectrum, using functional MRI. Graph-based mapping of effective connectivity, but not univariate analysis, revealed distinct anatomical location of "cortical hubs" supporting the processing of well-practiced close dates and less-practiced remote dates: the former engaged predominantly occipital and medial temporal areas, whereas the latter were associated mainly with prefrontal, orbitofrontal and anterior cingulate connectivity. These results point to the effect of extensive practice on the development of expertise and long term working memory, and demonstrate the role of frontal networks in supporting performance on less practiced calculations, which incur additional processing demands. Through the example of calendrical skills, our results demonstrate that the ability to perform complex calculations is initially supported by extensive attentional and strategic resources, which, as expertise develops, are gradually replaced by access to long term working memory for familiar material.
Neutron calculation scheme for coupled reactors
Porta, Jacques.
1980-11-01
The CABRI and PHEBUS cores are of the low enrichment rod type in which the fuel is made up of uranium oxide pellets encased in tubular cladding but the SCARABEE core has high enrichment plates, the fuel, an aluminium-uranium alloy (UAl) is metal, rolled into plate form. These three cores in well described rectangular geometry, receive in their centres the very heterogeneous cylindrical test loops (numerous containments of different kinds, large void spaces acting as lagging). After a detailed study of these three reactors, it is found that the search for a calculation scheme (common to the three projects) leads to the elimination of the scattering approximation in our calculations. It is therefore necessary to review the various existing models from a theoretical angle and then to select a particular method, according to the available data processing tools, a choice that will be dictated by the optimization of the parameters: cost in calculation time, difficulties (or ease) of use and accuracy achieved. A problem of experiment interpretation by calculation is dealt with in Chapter 3. The determination of the coupling by calculation is closely linked to the geometrical and energy modelization chosen. But from the experimental angle the determination of the coupling also gives rise to problems with respect to the interpretation of the experimental values obtained by thermal balance determinations, counting of the gamma emission of the fission products of fissile detectors and counting of lanthane 140 in the fuel fission products. The method of calculation is discussed as is the use made of detectors and the counting procedures. In chapter 4, it is not a local modelization that is discussed but an overall one in an original three dimensional calculation [fr
Validation of dose calculation programmes for recycling
Menon, Shankar; Brun-Yaba, Christine; Yu, Charley; Cheng, Jing-Jy; Williams, Alexander
2002-12-01
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
Validation of dose calculation programmes for recycling
Menon, Shankar [Menon Consulting, Nykoeping (Sweden); Brun-Yaba, Christine [Inst. de Radioprotection et Securite Nucleaire (France); Yu, Charley; Cheng, Jing-Jy [Argonne National Laboratory, IL (United States). Environmental Assessment Div.; Bjerler, Jan [Studsvik Stensand, Nykoeping (Sweden); Williams, Alexander [Dept. of Energy (United States). Office of Environmental Management
2002-12-01
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
Richebois, E.
2000-01-01
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)
Numerical Calculation of Interaction Between Plane Jet and Subsonic Flow
V. O. Moskalenko
2016-01-01
Full Text Available The paper makes numerical calculation of interaction between plane jet and subsonic flow. Its aim is to determine the jet trajectory, velocity profiles, distribution of pressure coefficient on the plate surface at different jet angles, namely ωj=45°; 90°; 105° and at low blowing strengths ( ≤1.5 as well as a to make comparison with the experimental data of other authors.To simulate a two-dimensional jet in the subsonic flow the software package “CAD SolidWorks Flow Simulation” has been used. Initially, the test task was solved with its calculation results compared with experimental ones [6.8] in order to improve the convergence; the size of the computational domain and a computational grid within the k-ε turbulence model were selected. As a result of the calculation, were identified and analysed the pressure values, jet trajectories, and velocity profiles. In the graphs the solid lines show calculation results, and dots represent experimental data.From the calculation results it is seen that, with increasing intensity of the reduced mass flow ¯q in the above range, the change of the jet pressure coefficient p¯ distribution behind a slotted nozzle is almost linear and significant. Before the nozzle, with increasing ¯q the pressure coefficient increases slightly.Analysis of results has shown that blowing of jets with ωj>90ω, provides a greater perturbation of the subsonic flow. Thus, the jet penetrates into the flow deeper, forms a dead region of the greater length, and more significantly redistributes the pressure coefficient on the surface of the plate.The calculation results are in good compliance with the experimental data both for the jet axis and for the pressure coefficient distribution on the plate surface. The research results can be used in the designing the jet control of aircrafts.
DRY TRANSFER FACILITY CRITICALITY SAFETY CALCULATIONS
C.E. Sanders
2005-01-01
This design calculation updates the previous criticality evaluation for the fuel handling, transfer, and staging operations to be performed in the Dry Transfer Facility (DTF) including the remediation area. The purpose of the calculation is to demonstrate that operations performed in the DTF and RF meet the nuclear criticality safety design criteria specified in the ''Project Design Criteria (PDC) Document'' (BSC 2004 [DIRS 171599], Section 4.9.2.2), the nuclear facility safety requirement in ''Project Requirements Document'' (Canori and Leitner 2003 [DIRS 166275], p. 4-206), the functional/operational nuclear safety requirement in the ''Project Functional and Operational Requirements'' document (Curry 2004 [DIRS 170557], p. 75), and the functional nuclear criticality safety requirements described in the ''Dry Transfer Facility Description Document'' (BSC 2005 [DIRS 173737], p. 3-8). A description of the changes is as follows: (1) Update the supporting calculations for the various Category 1 and 2 event sequences as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2005 [DIRS 171429], Section 7). (2) Update the criticality safety calculations for the DTF staging racks and the remediation pool to reflect the current design. This design calculation focuses on commercial spent nuclear fuel (SNF) assemblies, i.e., pressurized water reactor (PWR) and boiling water reactor (BWR) SNF. U.S. Department of Energy (DOE) Environmental Management (EM) owned SNF is evaluated in depth in the ''Canister Handling Facility Criticality Safety Calculations'' (BSC 2005 [DIRS 173284]) and is also applicable to DTF operations. Further, the design and safety analyses of the naval SNF canisters are the responsibility of the U.S. Department of the Navy (Naval Nuclear Propulsion Program) and will not be included in this document. Also, note that the results for the Monitored Geologic Repository (MGR) Site specific Cask (MSC) calculations are limited to the
Hybrid reduced order modeling for assembly calculations
Bang, Youngsuk; Abdel-Khalik, Hany S.; Jessee, Matthew A.; Mertyurek, Ugur
2015-01-01
Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.
On the relativistic calculation of spontaneous emission
Boudet, R.
1993-01-01
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
Hybrid reduced order modeling for assembly calculations
Bang, Youngsuk, E-mail: ysbang00@fnctech.com [FNC Technology, Co. Ltd., Yongin-si (Korea, Republic of); Abdel-Khalik, Hany S., E-mail: abdelkhalik@purdue.edu [Purdue University, West Lafayette, IN (United States); Jessee, Matthew A., E-mail: jesseema@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Mertyurek, Ugur, E-mail: mertyurek@ornl.gov [Oak Ridge National Laboratory, Oak Ridge, TN (United States)
2015-12-15
Highlights: • Reducing computational cost in engineering calculations. • Reduced order modeling algorithm for multi-physics problem like assembly calculation. • Non-intrusive algorithm with random sampling. • Pattern recognition in the components with high sensitive and large variation. - Abstract: While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system.
A quantitative calculation for software reliability evaluation
Lee, Young-Jun; Lee, Jang-Soo [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2016-10-15
To meet these regulatory requirements, the software used in the nuclear safety field has been ensured through the development, validation, safety analysis, and quality assurance activities throughout the entire process life cycle from the planning phase to the installation phase. A variety of activities, such as the quality assurance activities are also required to improve the quality of a software. However, there are limitations to ensure that the quality is improved enough. Therefore, the effort to calculate the reliability of the software continues for a quantitative evaluation instead of a qualitative evaluation. In this paper, we propose a quantitative calculation method for the software to be used for a specific operation of the digital controller in an NPP. After injecting random faults in the internal space of a developed controller and calculating the ability to detect the injected faults using diagnostic software, we can evaluate the software reliability of a digital controller in an NPP. We tried to calculate the software reliability of the controller in an NPP using a new method that differs from a traditional method. It calculates the fault detection coverage after injecting the faults into the software memory space rather than the activity through the life cycle process. We attempt differentiation by creating a new definition of the fault, imitating the software fault using the hardware, and giving a consideration and weights for injection faults.
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.
Graphical comparison of calculated internal conversion coefficients
Ewbank, W.B.
1980-11-01
Calculated values of the coefficients of internal conversion of gamma rays in the K shell and L 1 , L 2 , L 3 subshells from published tabulations by Band and Trzhaskovskaya and by Roesel et al. at Data Nucl. Data Tables, 21, 92-514(1978) are compared with values obtained by computer interpolation among tabulated values of Hager and Seltzer Nucl. Data, A4, 1-235(1968). In some cases, agreement among the three calculations is remarkably good, and differences are generally less than 5%. In a few cases, there are differences as large as 20 to 50%, corresponding to the threshold effect described by Roesel et al. The Z-dependent resonance minimum described by Roesel et al. is also observed in the comparison of E1-E4 conversion in the L 1 subshell. In several cases (notably M1-M4 conversion in the K shell and L 1 subshell), the Band and Roesel calculations show dramatically different dependence on gamma energy and atomic number. For Z = 100, the Band calculation for E4 conversion in the L 3 subshell shows irregular behavior at energies below the K-shell binding energy. A few high-quality measurements of internal conversion coefficients (+-5%) would help greatly to establish a basis for choice among the theoretical calculations. 32 figures
Adjoint spectrum calculation in fuel heterogeneous cells
Suster, Luis Carlos
1998-01-01
In most codes for cells calculation, the multigroup cross sections are generated taking into consideration the conservation of the reaction rates in the forward spectrum. However, for certain uses of the perturbation theory it's necessary to use the average of the parameters for energy macrogroups over the forward and the adjoint spectra. In this thesis the adjoint spectrum was calculated from the adjoint neutron balance equations, that were obtained for a heterogeneous unit cell. The collision probabilities method was used to obtain these equations. In order optimize the computational run-time, the Gaussian quadrature method was used in the calculation of the neutron balance equations, forward and adjoint. This method of integration was also used for the Doppler broadening functions calculation, necessary for obtaining the energy dependent cross sections. In order to calculate the reaction rates and the average cross sections, using both the forward and the adjoint neutron spectra, the most important resonances of the U 238 were considered. The results obtained with the method show significant differences for the different cross sections weighting schemes. (author)
Effective action calculation in lattice QCD
Hoek, J.
1983-01-01
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.)
Georgia fishery study: implications for dose calculations
Turcotte, M.D.S.
1983-01-01
Fish consumption will contribute a major portion of the estimated individual and population doses from L-Reactor liquid releases and Cs-137 remobilization in Steel Creek. It is therefore important that the values for fish consumption used in dose calculations be as realistic as possible. Since publication of the L-Reactor Environmental Information Document (EID), data have become available on sport fishing in the Savannah River. These data provide SRP with site-specific sport fish harvest and consumption values for use in dose calculations. The Georgia fishery data support the total population fish consumption and calculated dose reported in the EID. The data indicate, however, that both the EID average and maximum individual fish consumption have been underestimated, although each to a different degree. The average fish consumption value used in the EID is approximately 3% below the lower limit of the fish consumption range calculated using the Georgia data. A fish consumption value of 11.3 kg/yr should be used to recalculate dose to the average individual from L-Reactor restart. Maximum fish consumption in the EID has been underestimated by approximately 60%, and doses to the maximum individual should also be recalculated. Future dose calculations should utilize an average fish consumption value of 11.3 kg/yr, and a maximum fish consumption value of 34 kg/yr
Reactor perturbation calculations by Monte Carlo methods
Gubbins, M.E.
1965-09-01
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)
Application of backtracking algorithm to depletion calculations
Wu Mingyu; Wang Shixi; Yang Yong; Zhang Qiang; Yang Jiayin
2013-01-01
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)
Sandia Strehl Calculator Version 1.0
2017-12-05
The Sandia Strehl Calculator is designed to calculate the Gibson and Lanni point spread function (PSF), Strehl ratio, and ensquared energy, allowing non-design immersion, coverslip, and sample layers. It also uses Abbe number calculations to determine the refractive index at specific wavelengths when given the refractive index at a different wavelength and the dispersion. The primary application of Sandia Strehl Calculator is to determine the theoretical impacts of using an optical microscope beyond its normal design parameters. Examples of non-design microscope usage include: a) using coverslips of non-design material b) coverslips of different thicknesses c) imaging deep into an aqueous sample with an immersion objective d) imaging a sample at 37 degrees. All of these changes can affect the imaging quality, sometimes profoundly, but are at the same time non-design conditions employed not infrequently. Rather than having to experimentally determine whether the changes will result in unacceptable image quality, Sandia Strehl Calculator uses existing optical theory to determine the approximate effect of the change, saving the need to perform experiments.
Practical applications of internal dose calculations
Carbaugh, E.H.
1994-06-01
Accurate estimates of intake magnitude and internal dose are the goal for any assessment of an actual intake of radioactivity. When only one datum is available on which to base estimates, the choices for internal dose assessment become straight-forward: apply the appropriate retention or excretion function, calculate the intake, and calculate the dose. The difficulty comes when multiple data and different types of data become available. Then practical decisions must be made on how to interpret conflicting data, or how to adjust the assumptions and techniques underlying internal dose assessments to give results consistent with the data. This article describes nine types of adjustments which can be incorporated into calculations of intake and internal dose, and then offers several practical insights to dealing with some real-world internal dose puzzles
Parallel scalability of Hartree-Fock calculations
Chow, Edmond; Liu, Xing; Smelyanskiy, Mikhail; Hammond, Jeff R.
2015-03-01
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.
Computation cluster for Monte Carlo calculations
Petriska, M.; Vitazek, K.; Farkas, G.; Stacho, M.; Michalek, S.
2010-01-01
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)
Further calculations for REBEKA-6 (ISP-14)
Sweet, D.W.; Haste, T.J.
1985-01-01
Sensitivity of clad ballooning to the details of the thermal-hydraulics transient were studied using TRAC-PD2 to calculate thermal hydraulic conditions in the absence of clad ballooning. These provide boundary conditions for subsequent MABEL-2D analyses of clad deformation. Calculations predict a sharp clad temperature reduction when the bottom volume of the model quenches, followed by a further increase of almost 100 0 C, followed in turn by a steady temperature reduction. Timing and magnitude of the initial temperature fall significantly influence clad deformation. Quenching in the lower meshes is in turn dependent on the core base clad temperature, and to investigate the importance of clad temperature near the base of the core, both TRAC calculations have been repeated with the start of the heat-up of the bottom volume delayed by 20s. MABEL-2 analyses complete the sensitivity studies. (UK)
Sputtering calculations with the discrete ordinated method
Hoffman, T.J.; Dodds, H.L. Jr.; Robinson, M.T.; Holmes, D.K.
1977-01-01
The purpose of this work is to investigate the applicability of the discrete ordinates (S/sub N/) method to light ion sputtering problems. In particular, the neutral particle discrete ordinates computer code, ANISN, was used to calculate sputtering yields. No modifications to this code were necessary to treat charged particle transport. However, a cross section processing code was written for the generation of multigroup cross sections; these cross sections include a modification to the total macroscopic cross section to account for electronic interactions and small-scattering-angle elastic interactions. The discrete ordinates approach enables calculation of the sputtering yield as functions of incident energy and angle and of many related quantities such as ion reflection coefficients, angular and energy distributions of sputtering particles, the behavior of beams penetrating thin foils, etc. The results of several sputtering problems as calculated with ANISN are presented
Dose calculations for severe LWR accident scenarios
Margulies, T.S.; Martin, J.A. Jr.
1984-05-01
This report presents a set of precalculated doses based on a set of postulated accident releases and intended for use in emergency planning and emergency response. Doses were calculated for the PWR (Pressurized Water Reactor) accident categories of the Reactor Safety Study (WASH-1400) using the CRAC (Calculations of Reactor Accident Consequences) code. Whole body and thyroid doses are presented for a selected set of weather cases. For each weather case these calculations were performed for various times and distances including three different dose pathways - cloud (plume) shine, ground shine and inhalation. During an emergency this information can be useful since it is immediately available for projecting offsite radiological doses based on reactor accident sequence information in the absence of plant measurements of emission rates (source terms). It can be used for emergency drill scenario development as well
Efficient sound barrier calculations with the BEM
Juhl, Peter Møller; Cutanda Henriquez, Vicente
2018-01-01
The Boundary Element Method has been used for calculating the effect of introducing sound barriers for some decades. The method has also been used for optimizing the shape of the barrier and in some cases the effects of introducing sound absorption. However, numerical calculations are still quite...... time consuming and inconvenient to use, which is limiting their use for many practical problems. Moreover, measurements are mostly taken in one-third or full octave bands opposed to the numerical computations at specific frequencies, which then has to be conducted using a fine density in frequencies....... This paper addresses some of the challenges and possible solutions for developing BEM into a more efficient tool for sound barrier calculations....
A Novel Hybrid Similarity Calculation Model
Xiaoping Fan
2017-01-01
Full Text Available This paper addresses the problems of similarity calculation in the traditional recommendation algorithms of nearest neighbor collaborative filtering, especially the failure in describing dynamic user preference. Proceeding from the perspective of solving the problem of user interest drift, a new hybrid similarity calculation model is proposed in this paper. This model consists of two parts, on the one hand the model uses the function fitting to describe users’ rating behaviors and their rating preferences, and on the other hand it employs the Random Forest algorithm to take user attribute features into account. Furthermore, the paper combines the two parts to build a new hybrid similarity calculation model for user recommendation. Experimental results show that, for data sets of different size, the model’s prediction precision is higher than the traditional recommendation algorithms.
Dose calculations for intakes of ore dust
O'Brien, R.S.
1998-08-01
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
Computation cluster for Monte Carlo calculations
Petriska, M.; Vitazek, K.; Farkas, G.; Stacho, M.; Michalek, S. [Dep. Of Nuclear Physics and Technology, Faculty of Electrical Engineering and Information, Technology, Slovak Technical University, Ilkovicova 3, 81219 Bratislava (Slovakia)
2010-07-01
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)
Method for consequence calculations for severe accidents
Nielsen, F.; Thykier-Nielsn, S.
1987-03-01
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)
Method for consequence calculations for servere accidents
Nielsen, F.
1987-01-01
With the exception of the part about collective doses, this report was commissioned by the Swedish State Power Board. The part about collective doses was commissioned by the Swedish National Institute of Radiation Protection. The report contains a calculation of radiation doses in the sursurroundings caused by a theoretical core meltdown accident at one of the Barsebaeck reactors with filtered venting through the FILTRA plant. The calculations were made by means of the PLUCON4 code. The assumption used for the calculations were givon by the Swedish National Institute of Radiation Protection as follows: Pasquill D with wind speed 3 m/s and a mixing layer at 300 m height. Elevation of the release: 100 m with no energy release. The release starts 12 hours after shut-down and its duration is one hour. The release contains 100% of the noble gasses and 0,1% of all other isotopes in a 1800 MW t -reactor. (author)
Method for consequence calculations for severe accidents
Nielsen, F.
1988-07-01
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 accident sequence chosen for the calculating was a release caused by total power failure. 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 a wind speed of 5 m/s, and as extreme weather, Pasquill F with a wind speed of 2 m/s. 23 tabs., 37 ills., 20 refs. (author)
Automated one-loop calculations with GOSAM
Cullen, Gavin; Greiner, Nicolas; Heinrich, Gudrun; Reiter, Thomas; Luisoni, Gionata
2011-11-01
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.)
Automated one-loop calculations with GOSAM
Cullen, Gavin [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Deutsches Elektronen-Synchrotron, Zeuthen [DESY; 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.)
Statistical calculation of hot channel factors
Farhadi, K.
2007-01-01
It is a conventional practice in the design of nuclear reactors to introduce hot channel factors to allow for spatial variations of power generation and flow distribution. Consequently, it is not enough to be able to calculate the nominal temperature distributions of fuel element, cladding, coolant, and central fuel. Indeed, one must be able to calculate the probability that the imposed temperature or heat flux limits in the entire core is not exceeded. In this paper, statistical methods are used to calculate hot channel factors for a particular case of a heterogeneous, Material Testing Reactor (MTR) and compare the results obtained from different statistical methods. It is shown that among the statistical methods available, the semi-statistical method is the most reliable one
Calculating seismic of slabs ITA NNP Garona
Ezeberry, J. I.; Guerrero, A.; Gamarra, J.; Beltran, F.
2014-01-01
This article describes the methodology that Idom has employed to perform the seismic evaluation of slabs within the ITA project of the NPP Santa Maria de Garona. Seismic calculations that have been conducted include consideration of the effects of the interaction of soil structure as well as the possible take-off containers with respect to slab during the earthquake. Therefore, the main contribution of the work is the study of the coupling of rolling containers with the flexibility of the whole ground-slab For calculations has been used ABAQUS/Explicit program, allowing to solve effectively the nonlinearities listed above using explicit integration algorithms over time. The results of the calculations reflect the importance of jointly analyse the seismic responses of slab and containers. (Author)
Daylight calculations using constant luminance curves
Betman, E. [CRICYT, Mendoza (Argentina). Laboratorio de Ambiente Humano y Vivienda
2005-02-01
This paper presents a simple method to manually estimate daylight availability and to make daylight calculations using constant luminance curves calculated with local illuminance and irradiance data and the all-weather model for sky luminance distribution developed in the Atmospheric Science Research Center of the University of New York (ARSC) by Richard Perez et al. Work with constant luminance curves has the advantage that daylight calculations include the problem's directionality and preserve the information of the luminous climate of the place. This permits accurate knowledge of the resource and a strong basis to establish conclusions concerning topics related to the energy efficiency and comfort in buildings. The characteristics of the proposed method are compared with the method that uses the daylight factor. (author)
KENO-IV code benchmark calculation, (6)
Nomura, Yasushi; Naito, Yoshitaka; Yamakawa, Yasuhiro.
1980-11-01
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(NO 3 ) 4 aqueous solution, Pu metal or PuO 2 -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)
Accelerating GW calculations with optimal polarizability basis
Umari, P.; Stenuit, G. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); Qian, X.; Marzari, N. [Department of Materials Science and Engineering, MIT, Cambridge, MA (United States); Giacomazzi, L.; Baroni, S. [CNR-IOM DEMOCRITOS Theory Elettra Group, Basovizza (Trieste) (Italy); SISSA - Scuola Internazionale Superiore di Studi Avanzati, Trieste (Italy)
2011-03-15
We present a method for accelerating GW quasi-particle (QP) calculations. This is achieved through the introduction of optimal basis sets for representing polarizability matrices. First the real-space products of Wannier like orbitals are constructed and then optimal basis sets are obtained through singular value decomposition. Our method is validated by calculating the vertical ionization energies of the benzene molecule and the band structure of crystalline silicon. Its potentialities are illustrated by calculating the QP spectrum of a model structure of vitreous silica. Finally, we apply our method for studying the electronic structure properties of a model of quasi-stoichiometric amorphous silicon nitride and of its point defects. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Poloidal field equilibrium calculations for JET
Khalafallah, A.K.
1976-01-01
The structure of the JET 2D Poloidal Field Analysis Package is discussed. The ability to cope with different plasma current density distributions (skin, flat or peaked), each with a range of Beta poloidal values and varying plasma shapes is a new feature of these calculations. It is possible to construct instant-by-instant pictures of equilibrium configurations for various plasma build up scenarios taking into account the level of flux in the iron core and return limbs. The equilibrium configurations are calculated for two possible sequences of plasma build up. Examples of the magnetic field calculations being carried out under contract to JET at the Rutherford Laboratory, using a 3D code, are also given
Methods for thermal reactor lattice calculations
Schneider, A.
1976-12-01
The American code HAMMER and the British code WIMS, for the analysis of thermal reactor lattices, have been investigated. The primary objective of this investigation was to identify the causes for the discrepancies that exist between the calculated and the experimentally determined reactivity of clean critical experiments. Three phases have been undertaken in the research: (a) Detailed comparison between the group cross-sections used by the codes; (b) Definition of the various approximations incorporated into the codes; (c) Comparison between the values of a variety of reaction rates calculated by the two codes. It was concluded that the main cause of discrepancy between calculations and experiments is due to data inaccuracies, while approximations introduced in solving the transport equation are of smaller importance
LCEs for Naval Reactor Benchmark Calculations
W.J. Anderson
1999-01-01
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 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
eQuilibrator--the biochemical thermodynamics calculator.
Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron
2012-01-01
The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.
Noise in position measurement by centroid calculation
Volkov, P.
1996-01-01
The position of a particle trajectory in a gaseous (or semiconductor) detector can be measured by calculating the centroid of the induced charge on the cathode plane. The charge amplifiers attached to each cathode strip introduce noise which is added to the signal. This noise broadens the position resolution line. Our article gives an analytical tool to estimate the resolution broadening due to the noise per strip and the number of strips involved in the centroid calculation. It is shown that the position resolution increases faster than the square root of the number of strips involved. We also consider the consequence of added interstrip capacitors, intended to diminish the differential nonlinearity. It is shown that the position error increases slower than linearly with the interstrip capacities, due to the cancellation of correlated noise. The estimation we give, can be applied to calculations of position broadening other than the centroid finding. (orig.)
eQuilibrator—the biochemical thermodynamics calculator
Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron
2012-01-01
The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852
Undergraduate paramedic students cannot do drug calculations
Eastwood, Kathryn; Boyle, Malcolm J; Williams, Brett
2012-01-01
BACKGROUND: Previous investigation of drug calculation skills of qualified paramedics has highlighted poor mathematical ability with no published studies having been undertaken on undergraduate paramedics. There are three major error classifications. Conceptual errors involve an inability to formulate an equation from information given, arithmetical errors involve an inability to operate a given equation, and finally computation errors are simple errors of addition, subtraction, division and multiplication. The objective of this study was to determine if undergraduate paramedics at a large Australia university could accurately perform common drug calculations and basic mathematical equations normally required in the workplace. METHODS: A cross-sectional study methodology using a paper-based questionnaire was administered to undergraduate paramedic students to collect demographical data, student attitudes regarding their drug calculation performance, and answers to a series of basic mathematical and drug calculation questions. Ethics approval was granted. RESULTS: The mean score of correct answers was 39.5% with one student scoring 100%, 3.3% of students (n=3) scoring greater than 90%, and 63% (n=58) scoring 50% or less, despite 62% (n=57) of the students stating they ‘did not have any drug calculations issues’. On average those who completed a minimum of year 12 Specialist Maths achieved scores over 50%. Conceptual errors made up 48.5%, arithmetical 31.1% and computational 17.4%. CONCLUSIONS: This study suggests undergraduate paramedics have deficiencies in performing accurate calculations, with conceptual errors indicating a fundamental lack of mathematical understanding. The results suggest an unacceptable level of mathematical competence to practice safely in the unpredictable prehospital environment. PMID:25215067
Benchmark calculation of subchannel analysis codes
1996-02-01
In order to evaluate the analysis capabilities of various subchannel codes used in thermal-hydraulic design of light water reactors, benchmark calculations were performed. The selected benchmark problems and major findings obtained by the calculations were as follows: (1)As for single-phase flow mixing experiments between two channels, the calculated results of water temperature distribution along the flow direction were agreed with experimental results by tuning turbulent mixing coefficients properly. However, the effect of gap width observed in the experiments could not be predicted by the subchannel codes. (2)As for two-phase flow mixing experiments between two channels, in high water flow rate cases, the calculated distributions of air and water flows in each channel were well agreed with the experimental results. In low water flow cases, on the other hand, the air mixing rates were underestimated. (3)As for two-phase flow mixing experiments among multi-channels, the calculated mass velocities at channel exit under steady-state condition were agreed with experimental values within about 10%. However, the predictive errors of exit qualities were as high as 30%. (4)As for critical heat flux(CHF) experiments, two different results were obtained. A code indicated that the calculated CHF's using KfK or EPRI correlations were well agreed with the experimental results, while another code suggested that the CHF's were well predicted by using WSC-2 correlation or Weisman-Pei mechanistic model. (5)As for droplets entrainment and deposition experiments, it was indicated that the predictive capability was significantly increased by improving correlations. On the other hand, a remarkable discrepancy between codes was observed. That is, a code underestimated the droplet flow rate and overestimated the liquid film flow rate in high quality cases, while another code overestimated the droplet flow rate and underestimated the liquid film flow rate in low quality cases. (J.P.N.)
Undergraduate paramedic students cannot do drug calculations.
Eastwood, Kathryn; Boyle, Malcolm J; Williams, Brett
2012-01-01
Previous investigation of drug calculation skills of qualified paramedics has highlighted poor mathematical ability with no published studies having been undertaken on undergraduate paramedics. There are three major error classifications. Conceptual errors involve an inability to formulate an equation from information given, arithmetical errors involve an inability to operate a given equation, and finally computation errors are simple errors of addition, subtraction, division and multiplication. The objective of this study was to determine if undergraduate paramedics at a large Australia university could accurately perform common drug calculations and basic mathematical equations normally required in the workplace. A cross-sectional study methodology using a paper-based questionnaire was administered to undergraduate paramedic students to collect demographical data, student attitudes regarding their drug calculation performance, and answers to a series of basic mathematical and drug calculation questions. Ethics approval was granted. The mean score of correct answers was 39.5% with one student scoring 100%, 3.3% of students (n=3) scoring greater than 90%, and 63% (n=58) scoring 50% or less, despite 62% (n=57) of the students stating they 'did not have any drug calculations issues'. On average those who completed a minimum of year 12 Specialist Maths achieved scores over 50%. Conceptual errors made up 48.5%, arithmetical 31.1% and computational 17.4%. This study suggests undergraduate paramedics have deficiencies in performing accurate calculations, with conceptual errors indicating a fundamental lack of mathematical understanding. The results suggest an unacceptable level of mathematical competence to practice safely in the unpredictable prehospital environment.
Willow growing - Methods of calculation and profitability
Rosenqvist, H.
1997-01-01
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
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
Concurrent algorithms for nuclear shell model calculations
Mackenzie, L.M.; Macleod, A.M.; Berry, D.J.; Whitehead, R.R.
1988-01-01
The calculation of nuclear properties has proved very successful for light nuclei, but is limited by the power of the present generation of computers. Starting with an analysis of current techniques, this paper discusses how these can be modified to map parallelism inherent in the mathematics onto appropriate parallel machines. A prototype dedicated multiprocessor for nuclear structure calculations, designed and constructed by the authors, is described and evaluated. The approach adopted is discussed in the context of a number of generically similar algorithms. (orig.)
The calculation of Tritium burnup in Tokamaks
Bittoni, E.; Haegi, M.
1987-01-01
In a deuterium plasma tokamak, the contained fusion-produced tritons are supposed to be decelerated down to thermalization according to classical Coulomb scattering. A fraction of these fast tritons undergoes the DT fusion reaction producing 14.1 MeV neutrons. It is thus possible to get information on the confinement of these fast tritons by comparing the measured and the calculated ratio of the 14.1 MeV to the 2.45 MeV neutron flux. This report describes the calculation of this flux ratio by means of a numerical Monte Carlo-like code
Effective operators in nuclear-structure calculations
Barrett, Bruce R
2005-01-01
A brief review of the history of the use of many-body perturbation theory to determine effective operators for shell-model calculations, i.e., for calculations in truncated model spaces, is given, starting with the ground-breaking work of Arima and Horie for electromagnetic moments. The problems encountered in utilizing this approach are discussed. New methods based on unitary-transformation approaches are introduced and analyzed. The old problems persist, but the new methods allow us to obtain a better insight into the nature of the physics involved in these processes
HETERO code, heterogeneous procedure for reactor calculation
Jovanovic, S.M.; Raisic, N.M.
1966-11-01
This report describes the procedure for calculating the parameters of heterogeneous reactor system taking into account the interaction between fuel elements related to established geometry. First part contains the analysis of single fuel element in a diffusion medium, and criticality condition of the reactor system described by superposition of elements interactions. the possibility of performing such analysis by determination of heterogeneous system lattice is described in the second part. Computer code HETERO with the code KETAP (calculation of criticality factor η n and flux distribution) is part of this report together with the example of RB reactor square lattice
Calculation Methods for Wallenius’ Noncentral Hypergeometric Distribution
Fog, Agner
2008-01-01
Two different probability distributions are both known in the literature as "the" noncentral hypergeometric distribution. Wallenius' noncentral hypergeometric distribution can be described by an urn model without replacement with bias. Fisher's noncentral hypergeometric distribution...... is the 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...... distribution are derived. Range of applicability, numerical problems, and efficiency are discussed for each method. Approximations to the mean and variance are also discussed. This distribution has important applications in models of biased sampling and in models of evolutionary systems....
Many body calculations in atomic physics
Kelly, H.P.
1985-01-01
The use of the many-body perturbation theory for atomic calculations are reviewed. The major emphasis is on the use of the linked-cluster many-body perturbation theory derived by Brueckner and Goldstone. Applications of many-body theory to calculations of hyperfine structure are examined. Auger rates and parity violation are discussed. Photoionization is reviewed, and the authors show how many-body perturbation theory can be applied to problems ranging from structural properties such as correlation energies and hyperfine structure to dynamical properties such as transitions induced by weak neutral currents and photoionization cross sections
TDHF calculations for heavy-ion collisions
Dhar, A.K.
1981-01-01
In considering the TDHF theory for heavy-ion reaction calculations it is shown that this parameter-free approach spans a wide range of nuclear phenomena ranging from elastic scattering to fusion, including dissipative and collective processes, in a unified manner. The subject is considered under the headings: (1) TDHF equations, conservation laws, effective hamiltonian and initial conditions. (2) Symmetries and filling approximation. (3) Qualitative features of TDHF dynamics. (4) Comparison with experiment (fusion results, deep-inelastic reaction studies, particle emission from TDHF calculations). (U.K.)
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.
Essential math and calculations for pharmacy technicians
Reddy, Indra K
2003-01-01
Working with Roman and Arabic NumeralsUsing Fractions and Decimals in Pharmacy MathUsing Ratios, Proportions and Percentages in Dosage CalculationsApplying Systems of MeasurementsInterpreting Medication OrdersIdentifying Prescription Errors and OmissionsWorking with Liquid Dosage FormsWorking with Solid Dosage FormsAdjusting IsotonicityWorking with Buffer and Ionization ValuesDealing with ReconstitutionsDetermining Milliequivalent StrengthsCalculating Caloric Values Determining IV Flow RatesWorking with Insulin and Heparin ProductsAppendices: A: Working with Temperature ConversionsB: Working with Capsule Dosage FormsC: Dealing with Pediatric Dosages D: Understanding Essential Business Math.
Evaluation bases for calculation methods in radioecology
Bleck-Neuhaus, J.; Boikat, U.; Franke, B.; Hinrichsen, K.; Hoepfner, U.; Ratka, R.; Steinhilber-Schwab, B.; Teufel, D.; Urbach, M.
1982-03-01
The seven contributions in this book deal with the state and problems of radioecology. In particular it analyses: The propagation of radioactive materials in the atmosphere, the transfer of radioactive substances from the soil into plants, respectively from animal feed into meat, the exposure pathways for, and high-risk groups of the population, the uncertainties and the band width of the ingestion factor, as well as the treatment of questions of radioecology in practice. The calculation model is assessed and the difficulty evaluated of laying down data in the general calculation basis. (DG) [de
COVE 2A Benchmarking calculations using NORIA
Carrigan, C.R.; Bixler, N.E.; Hopkins, P.L.; Eaton, R.R.
1991-10-01
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
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
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
Benchmark calculation programme concerning typical LMFBR structures
Donea, J.; Ferrari, G.; Grossetie, J.C.; Terzaghi, A.
1982-01-01
This programme, which is part of a comprehensive activity aimed at resolving difficulties encountered in using design procedures based on ASME Code Case N-47, should allow to get confidence in computer codes which are supposed to provide a realistic prediction of the LMFBR component behaviour. The calculations started on static analysis of typical structures made of non linear materials stressed by cyclic loads. The fluid structure interaction analysis is also being considered. Reasons and details of the different benchmark calculations are described, results obtained are commented and future computational exercise indicated
Histidine in Continuum Electrostatics Protonation State Calculations
Couch, Vernon; Stuchebruckhov, Alexei
2014-01-01
A modification to the standard continuum electrostatics approach to calculate protein pKas which allows for the decoupling of histidine tautomers within a two state model is presented. Histidine with four intrinsically coupled protonation states cannot be easily incorporated into a two state formalism because the interaction between the two protonatable sites of the imidazole ring is not purely electrostatic. The presented treatment, based on a single approximation of the interrelation between histidine’s charge states, allows for a natural separation of the two protonatable sites associated with the imidazole ring as well as the inclusion of all protonation states within the calculation. PMID:22072521
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...... of perovskites the solar light absorption efficiency varies greatly depending not only on bandgap size and character (direct/indirect) but also on the dipole matrix elements. The oxides exhibit generally a fairly weak absorption efficiency due to indirect bandgaps while the most efficient absorbers are found...... in the classes of oxynitride and organometal halide perovskites with strong direct transitions....
Tank Z-361 dose rate calculations
Richard, R.F.
1998-01-01
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
Comparison of methods for calculating decay lifetimes
Tobocman, W.
1978-01-01
A simple scattering model is used to test alternative methods for calculating decay lifetimes, or equivalently, resonance widths. We consider the scattering of s-wave particles by a square well with a square barrier. Exact values for resonance energies and resonance widths are compared with values calculated from Wigner-Weisskopf perturbation theory and from the Garside-MacDonald projection operator formalism. The Garside-MacDonald formalism gives essentially exact results while the predictions of the Wigner-Weisskopf formalism are fairly poor
Calculation program development for spinning reserve
1979-01-01
This study is about optimal holding of spinning reserve and optimal operation for it. It deals with the purpose and contents of the study, introduction of the spinning reserve electricity, speciality of the spinning reserve power, the result of calculation, analysis for limited method of optimum load, calculation of requirement for spinning reserve, analysis on measurement of system stability with summary, purpose of the analysis, cause of impact of the accident, basics on measurement of spinning reserve and conclusion. It has the reference on explanation for design of spinning reserve power program and using and trend about spinning reserve power in Korea.
Subjective Organization Calculator for Free Recall
Olesya Senkova
2015-11-01
Full Text Available The free recall measure has an advantage over other memory measures because the free recall measure can provide organization measures, which can reveal the strategies participants used to maximize recall. For instance, even when a study list does not show a clear organizational scheme, recall outputs are often far from random, evidenced by participants recalling the same two or more items together repeatedly across multiple test trials. Unfortunately, computing organizational measures is laborious. The present article introduces a calculator to compute subjective organization (SO measures. The calculator is based on a popular platform accessible to most researchers and is designed to compute commonly used SO measures for each participant.
Criticality calculation of non-ordinary systems
Kalugin, A. V., E-mail: Kalugin-AV@nrcki.ru; Tebin, V. V. [National Research Centre Kurchatov Institute (Russian Federation)
2016-12-15
The specific features of calculation of the effective multiplication factor using the Monte Carlo method for weakly coupled and non-asymptotic multiplying systems are discussed. Particular examples are considered and practical recommendations on detection and Monte Carlo calculation of systems typical in numerical substantiation of nuclear safety for VVER fuel management problems are given. In particular, the problems of the choice of parameters for the batch mode and the method for normalization of the neutron batch, as well as finding and interpretation of the eigenvalue spectrum for the integral fission matrix, are discussed.
Depletion calculations of adjuster rods in Darlington
Arsenault, B.; Tsang, K., E-mail: benoit.arsenault@amecfw.com, E-mail: kwok.tsang@amecfw.com [AMEC Foster Wheeler, Toronto, ON (Canada)
2015-07-01
This paper describes the simulation methodology and reactivity worth calculated for aged adjuster rods in the Darlington core. ORIGEN-S IST was applied to simulate the isotope transmutation process of the stainless steel and titanium adjusters. The compositions were used in DRAGON-IST to calculate the change in incremental properties of aged adjusters. Pre-simulations of the reactivity worth of the stainless steel and titanium adjusters in Darlington were performed using RFSP-IST and the results showed that the titanium adjuster rods exhibit faster reactivity-worth drop than that of stainless steel rods. (author)
Heat Exchanger Support Bracket Design Calculations
Rucinski, Russ
1995-01-01
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.
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 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
H + Ar collisions. II. Differential scattering calculations
Neumann, H.; Le, T.Q.; van Zyl, B.
1977-01-01
Differential elastic scattering cross-section calculations have been made for H + Ar collisions using classical and eikonal techniques. The calculation procedures are described and compared with existing experimental data. It is shown that the angular distribution of the elastic cross section is similar to that obtained for proton production in such collisions at energies above about 200 eV. By combining the angular dependence of the computed elastic cross section with experimental measurements described in the preceding paper, absolute differential cross sections for proton production have been determined
Calculation of NPP pipeline seismic stability
Kirillov, A.P.; Ambriashvili, Yu.K.; Kaliberda, I.V.
1982-01-01
A simplified design procedure of seismic pipeline stability of NPP at WWER reactor is described. The simplified design procedure envisages during the selection and arrangement of pipeline saddle and hydraulic shock absorbers use of method of introduction of resilient mountings of very high rigidity into the calculated scheme of the pipeline and performance of calculations with step-by-step method. It is concluded that the application of the design procedure considered permits to determine strains due to seismic loads, to analyze stressed state in pipeline elements and supporting power of pipe-line saddle with provision for seismic loads to plan measures on seismic protection
Ammonia synthesis from first principles calculations
Honkala, Johanna Karoliina; Hellman, Anders; Remediakis, Ioannis
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......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...
Conductance calculations with a wavelet basis set
Thygesen, Kristian Sommer; Bollinger, Mikkel; Jacobsen, Karsten Wedel
2003-01-01
We present a method based on density functional theory (DFT) for calculating the conductance of a phase-coherent system. The metallic contacts and the central region where the electron scattering occurs, are treated on the same footing taking their full atomic and electronic structure into account....... 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...
NONE
1963-07-01
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) [French] Cette note constitue la premiere edition du 'Formulaire sur le calcul de la protection des reacteurs'. Ce formulaire permet de calculer de facon simple les difterents flux de neutrons et de gamma et, par suite, de fixer les quantites minima de materiaux a utiliser pour que les conditions generales de securite soient respectees, tant pour le personnel que pour les installations. Il contient un certain nombre de donnees nucleaires, de methodes de calcul et de constantes correspondant a l'etat actuel de nos connaissances. (auteurs)
Possibility of Engineering Education That Makes Use of Algebraic Calculators by Various Scenes
Umeno, Yoshio
Algebraic calculators are graphing calculators with a feature of computer algebra system. It can be said that we can solve mathematics only by pushing some keys of these calculators in technical colleges or universities. They also possess another feature, so we can make extensive use in engineering education. For example, we can use them for a basic education, a programming education, English education, and creative thinking tools for excellent students. In this paper, we will introduce the summary of algebraic calculators, then, consider how we utilize them in engineer education.
Program for TI programmable 59 calculator for calculation of 3H concentration of water samples
Hussain, S.D.; Asghar, G.
1982-09-01
A program has been developed for TI Programmable 59 Calculator of Texas Instruments Inc. to calculate from the observed parameters such as count rate etc. the 3 H (tritium) concentration of water samples processed with/without prior electrolytic enrichment. Procedure to use the program has been described in detail. A brief description of the laboratory treatment of samples and the mathematical equations used in the calculations have been given. (orig./A.B.)
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.
The conundrum of calculating carbon footprints
Strobel, Bjarne W.; Erichsen, Anders Christian; Gausset, Quentin
2016-01-01
A pre-condition for reducing global warming is to minimise the emission of greenhouse gasses (GHGs). A common approach to informing people about the link between behaviour and climate change rests on developing GHG calculators that quantify the ‘carbon footprint’ of a product, a sector or an actor...... to adopt greener behaviour....
Calculation of Kinetic Parameters of TRIGA Reactor
Snoj, Luka; Kavcic, Andrej; Zerovnik, Gasper; Ravnik, Matjaz
2008-01-01
Modern Monte Carlo transport codes in combination of fast computer clusters enable very accurate calculations of the most important reactor kinetic parameters. Such are the effective delayed neutron fraction, β eff , and mean neutron generation time, Λ. We calculated the β eff and Λ for various realistic and hypothetical annular TRIGA Mark II cores with different types and amount of fuel. It can be observed that the effective delayed neutron fraction strongly depends on the number of fuel elements in the core or on the core size. E.g., for 12 wt. % uranium standard fuel with 20 % enrichment, β eff varies from 0.0080 for a small core (43 fuel rods) to 0.0075 for a full core (90 fuel rods). It is interesting to note that calculated value of β eff strongly depends also on the delayed neutron nuclear data set used in calculations. The prompt neutron life-time mainly depends on the amount (due to either content or enrichment) of 235 U in the fuel as it is approximately inversely proportional to the average absorption cross-section of the fuel. E.g., it varies from 28 μs for 30 wt. % uranium content fuelled core to 48 μs for 8.5 wt. % uranium content LEU fuelled core. The results are especially important for pulse mode operation and analysis of the pulses. (authors)
The calculation of CSF spaces in CT
Hacker, H.; Artmann, H.
1978-01-01
Objective digital determination of CSF spaces is discussed, with ventricular and subarachnoid spaces handled separately. This method avoids the difficulty of visual definition of ventricular borders in planimetric measurements. The principle is to count automatically all pixels corresponding to CSF in a given region with a Hounsfield unit and to multiply this number by the pixel size. This will give the total surface area of CSF spaces in square millimeters. The calculation of pixel values for CSF spaces and brain tissue is experimentally formulated taking the intersection of the Gaussian curves for ventricular content and brain tissue. In practice, the determination of CSF spaces is done by first calculating a histogram of the total brain in a given slice defining all CSF spaces. Next a histogram of a region including ventricles with adjoining tissue is calculated and the ventricular size is calculated. By subtraction of the ventricle value from the total CSF space value, the subarachnoid space size is obtained. The advantages of this mehtod will be discussed. (orig.) [de
Accounting calculations problems with suppliers and contractors
Tikholaz I.A.
2016-12-01
Full Text Available in the article an order of accounting reflection of payments with suppliers and contractors are researched and ways of enhancement of accounting calculations process development with the purpose of management decisions optimization for their implementation are offered. Theoretical bases of intraeconomic control of settlings with suppliers and contractors are developed.
46 CFR 174.360 - Calculations.
2010-10-01
... GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO SPECIFIC VESSEL TYPES Special Rules Pertaining to Dry Cargo Ships § 174.360 Calculations. Each ship to... for that ship by the International Convention for the Safety of Life at Sea, 1974, as amended, chapter...
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.
Block Tridiagonal Matrices in Electronic Structure Calculations
Petersen, Dan Erik
in the Landauer–Büttiker ballistic transport regime. These calculations concentrate on determining the so– called Green’s function matrix, or portions thereof, which is the inverse of a block tridiagonal general complex matrix. To this end, a sequential algorithm based on Gaussian elimination named Sweeps...
Cubic scaling GW: Towards fast quasiparticle calculations
Liu, P.; Kaltak, M.; Klimeš, Jiří; Kresse, G.
2016-01-01
Roč. 94, č. 16 (2016), s. 165109 ISSN 2469-9950 Institutional support: RVO:61388955 Keywords : MEAN-FIELD THEORY * ELECTRONIC-STRUCTURE CALCULATIONS * AUGMENTED- WAVE METHOD Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.836, year: 2016
Dose calculation in brachytherapy with microcomputers
Elbern, A.W.
1989-01-01
The computer algorithms, that allow the calculation of brachytherapy doses and its graphic representation for implants, using programs developed for Pc microcomputers are presented. These algorithms allow to localized the sources in space, from their projection in radiographics images and trace isodose counter. (C.G.C.) [pt
Combining Basic Business Math and Electronic Calculators.
Merchant, Ronald
As a means of alleviating math anxiety among business students and of improving their business machine skills, Spokane Falls Community College offers a course in which basic business math skills are mastered through the use of desk top calculators. The self-paced course, which accommodates varying student skill levels, requires students to: (1)…
Shock Spectrum Calculation from Acceleration Time Histories
1980-09-01
accurate and economical . If the velocity is desired, it can be calculated with Equation A-8b. As it stands it is exact. Approx- imation will be...Washington DC; DAEN-MCE.D (R L Wight) Washington DC; DAEN.MPE-D Washington DC; DAEN- MPU . Washington DC; DARCOM; ERADCOM Tech Supp Dir. (DELSD-L) Ft
Pukhov, A.
2003-01-01
CalcHEP is a clone of the CompHEP project which is developed by the author outside of the CompHEP group. CompHEP/CalcHEP are packages for automatic calculations of elementary particle decay and collision properties in the lowest order of perturbation theory. The main idea prescribed into the packages is to make available passing on from the Lagrangian to the final distributions effectively with a high level of automation. According to this, the packages were created as a menu driven user friendly programs for calculations in the interactive mode. From the other side, long-time calculations should be done in the non-interactive regime. Thus, from the beginning CompHEP has a problem of batch calculations. In CompHEP 33.23 the batch session was realized by mean of interactive menu which allows to the user to formulate the task for batch. After that the not-interactive session was launched. This way is too restricted, not flexible, and leads to doubling in programming. In this article I discuss another approach how one can force an interactive program to work in non-interactive mode. This approach was realized in CalcHEP 2.1 disposed on http://theory.sinp.msu.ru/~pukhov/calchep.html
Laser--plasma calculations with refraction
Pan, Y.L.; Shay, H.D.
1974-01-01
Computer calculations of light propagation in a medium with a quadratic density gradient transverse to the direction of propagation are presented. Test results for positive and negative values of the sinusoidal oscillation are described. Another problem considered was the propagation of light rays inside a spherical plasma with a density profile which increases with r. (U.S.)
Numericware i: Identical by State Matrix Calculator
Bongsong Kim
2017-02-01
Full Text Available We introduce software, Numericware i, to compute identical by state (IBS matrix based on genotypic data. Calculating an IBS matrix with a large dataset requires large computer memory and takes lengthy processing time. Numericware i addresses these challenges with 2 algorithmic methods: multithreading and forward chopping. The multithreading allows computational routines to concurrently run on multiple central processing unit (CPU processors. The forward chopping addresses memory limitation by dividing a dataset into appropriately sized subsets. Numericware i allows calculation of the IBS matrix for a large genotypic dataset using a laptop or a desktop computer. For comparison with different software, we calculated genetic relationship matrices using Numericware i, SPAGeDi, and TASSEL with the same genotypic dataset. Numericware i calculates IBS coefficients between 0 and 2, whereas SPAGeDi and TASSEL produce different ranges of values including negative values. The Pearson correlation coefficient between the matrices from Numericware i and TASSEL was high at .9972, whereas SPAGeDi showed low correlation with Numericware i (.0505 and TASSEL (.0587. With a high-dimensional dataset of 500 entities by 10 000 000 SNPs, Numericware i spent 382 minutes using 19 CPU threads and 64 GB memory by dividing the dataset into 3 pieces, whereas SPAGeDi and TASSEL failed with the same dataset. Numericware i is freely available for Windows and Linux under CC-BY 4.0 license at https://figshare.com/s/f100f33a8857131eb2db .
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...
Many body perturbation calculations of photoionization
Kelly, H.P.
1979-01-01
The application of many body perturbation theory to the calculation of atomic photoionization cross sections is reviewed. The choice of appropriate potential for the single-particle state is discussed and results are presented for several atoms including resonance structure. In addition to single photoionization, the process of double photoionization is considered and is found to be significant. (Auth.)
Nuclear fuel cycle cost and cost calculation
Schmiedel, P.; Schricker, W.
1975-01-01
Four different methods of calculating the cost of the fuel cycle are explained, starting from the individual cost components with their specific input data. The results (for LWRs) are presented in tabular form and in the form of diagrams. (RB) [de
Improved loss calculations for the HDM magnets
Mallick, G.T. Jr.; Carr, W.J.; Krefta, M.P.; Johnson, D.
1994-01-01
Losses due to ramped fields and currents, quite adequate for the initial design, were calculated previously by Snitchler, Jayakumar, Kovachev, and Orrell for the high energy booster magnets to be used in the SSC. The present analysis considers the loss problem in more detail
Criticality calculation method for mixer-settlers
Gonda, Kozo; Aoyagi, Haruki; Nakano, Ko; Kamikawa, Hiroshi.
1980-01-01
A new criticality calculation code MACPEX has been developed to evaluate and manage the criticality of the process in the extractor of mixer-settler type. MACPEX can perform the combined calculation with the PUREX process calculation code MIXSET, to get the neutron flux and the effective multiplication constant in the mixer-settlers. MACPEX solves one-dimensional diffusion equation by the explicit difference method and the standard source-iteration technique. The characteristics of MACPEX are as follows. 1) Group constants of 4 energy groups for the 239 Pu-H 2 O solution, water, polyethylene and SUS 28 are provided. 2) The group constants of the 239 Pu-H 2 O solution are given by the functional formulae of the plutonium concentration, which is less than 50 g/l. 3) Two boundary conditions of the vacuum condition and the reflective condition are available in this code. 4) The geometrical bucklings can be calculated for a certain energy group and/or region by using the three dimentional neutron flux profiles obtained by CITATION. 5) The buckling correction search can be carried out in order to get a desired k sub(eff). (author)
A Tabular Approach to Titration Calculations
Lim, Kieran F.
2012-01-01
Titrations are common laboratory exercises in high school and university chemistry courses, because they are easy, relatively inexpensive, and they illustrate a number of fundamental chemical principles. While students have little difficulty with calculations involving a single titration step, there is a significant leap in conceptual difficulty…
Witten index calculation in supersymmetric gauge theory
Smilga, A.V.
1984-01-01
Direct calculation of the Witten index Isub(W) in the SU(2) SUSY Yang-Mills theiory is performed using the periodic boundary conditions. Our result is Isub(W)--1 which disagrees with the Witten's result: Isub(W)=N for the SU(N) gauge group. The principle physical conclusion of SUSY unbreaking in this theory remains intact
Calculated fission properties of the heaviest elements
Moeller, P.; Nix, J.R.; Swiatecki, W.J.
1986-09-01
A quantitative calculation is presented that shows where high-kinetic-energy symmetric fission occurs and why it is associated with a sudden and large decrease in fission half-lives. The study is based on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. For the macroscopic part a Yukawa-plus-exponential model is used and for the microscopic part a folded-Yukawa single-particle potential is used. The three-quadratic-surface parameterization generates shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. The results of the calculations in terms of potential-energy surfaces and fission half-lives are presented for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. 53 refs., 15 figs., 1 tab
Microscopic calculation of the 4He system
Hofmann, H.M.
1996-01-01
We report on a consistent, microscopic calculation of the bound and scattering states in the 4 He system employing a realistic nucleon-nucleon potential in the framework of the resonating group model (RGM). We present for comparison with these microscopic RGM calculations the results from a charge-independent, Coulomb-corrected R-matrix analysis of all types of data for reactions in the A=4 system. Comparisons are made between the phase shifts, and with a selection of measurements from each reaction, as well as between the resonance spectra obtained from both calculations. In general, the comparisons are favorable, but distinct differences are observed between the RGM calculations and some of the polarisation data. The partial-wave decomposition of the experimental data produced by the R-matrix analysis shows that these differences can be attributed to just a few S-matrix elements, for which inadequate tensor-force strength in the N-N interaction used appears to be responsible. (orig.)
Difference equations in massive higher order calculations
Bierenbaum, I.; Bluemlein, J.; Klein, S.; Schneider, C.
2007-07-01
The calculation of massive 2-loop operator matrix elements, required for the higher order Wilson coefficients for heavy flavor production in deeply inelastic scattering, leads to new types of multiple infinite sums over harmonic sums and related functions, which depend on the Mellin parameter N. We report on the solution of these sums through higher order difference equations using the summation package Sigma. (orig.)
Core barrel motion calibration factor calculation
Shahrokhi, F.; Robinson, J.C.
1976-01-01
Neutron transport theory calculations were performed to obtain a calibration factor for inferring core-barrel motion from spectral density data using excore ionization chambers in PWRs. The analysis of core-barrel movement was based on the postulate that the movement is a cantilevered type, with the preferred direction x-x'
Model cross section calculations using LAHET
Prael, R.E.
1992-01-01
The current status of LAHET is discussed. The effect of a multistage preequilibrium exciton model following the INC is examined for neutron emission benchmark calculations, as is the use of a Fermi breakup model for light nuclei rather than an evaporation model. Comparisons are made also for recent fission cross section experiments, and a discussion of helium production cross sections is presented
Nozzle flow calculation for real gases
Bier, K.; Ehrler, F.; Hartz, U.; Kissau, G.
1977-01-01
The flow of CHF 2 Cl vapor (refrigerant R 22) through a Laval nozzle of annular geometry has been investigated in the region near the saturation line with stagnation pressures up to 85 per cent of the critical pressure. Static pressure profiles measured along the nozzle axis were found in good agreement with profiles calculated for one-dimensional isentropic flow of the real gas the thermal properties of which were derived from an equation of state proposed previously by Rombusch. Minor deviations between measured and calculated static pressure curves occur in the supersonic part of the mozzle, especially when supersaturated states of the vapour are passed. These deviations can be attributed to uncertainties in the calculation of the enthalpy and to a small influence of the static pressure probe. An additional investigation was concerned with an approximate calculation of the nozzle flow of real gases. In this approximation the well known relations of ideal gas dynamics are applied, the ratio of specific heats for the ideal gas being replaced, however, by a suitably adapted isentropic exponent, which can be determined e.g. from measured values of the Laval pressure or of the mass flow. For pressure ratios p/po between 1 and approximately 0.1, corresponding to Mach numbers up to approximately 2.2, all the interesting properties of the investigated flow of CHF 2 Cl vapour are approximated within a few per cent. (orig.) [de
Calculator Programming Engages Visual and Kinesthetic Learners
Tabor, Catherine
2014-01-01
Inclusion and differentiation--hallmarks of the current educational system--require a paradigm shift in the way that educators run their classrooms. This article enumerates the need for techno-kinesthetic, visually based activities and offers an example of a calculator-based programming activity that addresses that need. After discussing the use…
Relativistic calculations of coalescing binary neutron stars
We have designed and tested a new relativistic Lagrangian hydrodynamics code, which treats gravity in the conformally flat approximation to general relativity. We have tested the resulting code extensively, finding that it performs well for calculations of equilibrium single-star models, collapsing relativistic dust clouds, and ...
Calculation of the CIPW norm: New formulas
A completely new set of formulas, based on matrix algebra, has been suggested for the calculation of the CIPW norm for ...... Techniques (New York: John Wiley & Sons) 527 pp. Johannsen A ... alogical Magazine 34 276–282. Le Bas M J, Le ...
76 FR 71431 - Civil Penalty Calculation Methodology
2011-11-17
... DEPARTMENT OF TRANSPORTATION Federal Motor Carrier Safety Administration Civil Penalty Calculation... is currently evaluating its civil penalty methodology. Part of this evaluation includes a forthcoming... civil penalties. UFA takes into account the statutory penalty factors under 49 U.S.C. 521(b)(2)(D). The...
SCALE Sensitivity Calculations Using Contributon Theory
Rearden, Bradley T.; Perfetti, Chris; Williams, Mark L.; Petrie, Lester M. Jr.
2010-01-01
The SCALE TSUNAMI-3D sensitivity and uncertainty analysis sequence computes the sensitivity of k-eff to each constituent multigroup cross section using adjoint techniques with the KENO Monte Carlo codes. A new technique to simultaneously obtain the product of the forward and adjoint angular flux moments within a single Monte Carlo calculation has been developed and implemented in the SCALE TSUNAMI-3D analysis sequence. A new concept in Monte Carlo theory has been developed for this work, an eigenvalue contributon estimator, which is an extension of previously developed fixed-source contributon estimators. A contributon is a particle for which the forward solution is accumulated, and its importance to the response, which is equivalent to the adjoint solution, is simultaneously accumulated. Thus, the contributon is a particle coupled with its contribution to the response, in this case k-eff. As implemented in SCALE, the contributon provides the importance of a particle exiting at any energy or direction for each location, energy and direction at which the forward flux solution is sampled. Although currently implemented for eigenvalue calculations in multigroup mode in KENO, this technique is directly applicable to continuous-energy calculations for many other responses such as fixed-source sensitivity analysis and quantification of reactor kinetics parameters. This paper provides the physical bases of eigenvalue contributon theory, provides details of implementation into TSUNAMI-3D, and provides results of sample calculations.
Calculating Traffic based on Road Sensor Data
Bisseling, Rob; Gao, Fengnan; Hafkenscheid, Patrick; Idema, Reijer; Jetka, Tomasz; Guerra Ones, Valia; Rata, Debanshu; Sikora, Monika
2014-01-01
Road sensors gather a lot of statistical data about traffic. In this paper, we discuss how a measure for the amount of traffic on the roads can be derived from this data, such that the measure is independent of the number and placement of sensors, and the calculations can be performed quickly for
The new pooled cohort equations risk calculator
Preiss, David; Kristensen, Søren L
2015-01-01
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...
Gaseous Nitrogen Orifice Mass Flow Calculator
Ritrivi, Charles
2013-01-01
The Gaseous Nitrogen (GN2) Orifice Mass Flow Calculator was used to determine Space Shuttle Orbiter Water Spray Boiler (WSB) GN2 high-pressure tank source depletion rates for various leak scenarios, and the ability of the GN2 consumables to support cooling of Auxiliary Power Unit (APU) lubrication during entry. The data was used to support flight rationale concerning loss of an orbiter APU/hydraulic system and mission work-arounds. The GN2 mass flow-rate calculator standardizes a method for rapid assessment of GN2 mass flow through various orifice sizes for various discharge coefficients, delta pressures, and temperatures. The calculator utilizes a 0.9-lb (0.4 kg) GN2 source regulated to 40 psia (.276 kPa). These parameters correspond to the Space Shuttle WSB GN2 Source and Water Tank Bellows, but can be changed in the spreadsheet to accommodate any system parameters. The calculator can be used to analyze a leak source, leak rate, gas consumables depletion time, and puncture diameter that simulates the measured GN2 system pressure drop.
On the atomic shell structure calculation (1)
Choe Sun Chol
1986-01-01
We have considered the problem of atomic shell structure calculation using operator technique. We introduce reduced matrix elements of annihilation operators according to eg. (4). The normalized basis function is denoted as || ...>. The reduced matrix elements of the pair annihilation operators are expressed throw one-electron matrix elements. Some numerical results are represented and the problem of sign assignment is discussed. (author)
impedance calculations of induction machine rotor conductors.
Dr Obe
computed. The parallel R-L network shown in figure 3 is used in the modeling of the rotor bars. The network total impedance is given by,. (19). Where,. 5. simulation Results. MATLAB m-file for the calculation of the total impedance of the rectangular and trapezoidal rotor bars is developed [10]. The parameters of the bars.
Comparison of TRAC calculations with experimental data
Jackson, J.F.; Vigil, J.C.
1980-01-01
TRAC is an advanced best-estimate computer code for analyzing postulated accidents in light water reactors. This paper gives a brief description of the code followed by comparisons of TRAC calculations with data from a variety of separate-effects, system-effects, and integral experiments. Based on these comparisons, the capabilities and limitations of the early versions of TRAC are evaluated
Pressure calculations in nanochannel gas flows
Kim, J.H.; Frijns, A.J.H.; Nedea, S.V.; Steenhoven, van A.A.; Frijns, A.J.H.; Valougeorgis, D.; Colin, S.; Baldas, L.
2012-01-01
In this research, pressure driven flow within a nanochannel is studied for argon in rarefied gas states. A Molecular Dynamics simulation is used to resolve the density and stress variations. Normal stress calculations are based on Irving-Kirkwood method, which divides the stress tensor into its
Source term calculations - Ringhals 2 PWR
Johansson, L.L.
1998-02-01
This project was performed within the fifth and final phase of sub-project RAK-2.1 of the Nordic Co-operative Reactor Safety Program, NKS.RAK-2.1 has also included studies of reflooding of degraded core, recriticality and late phase melt progression. Earlier source term calculations for Swedish nuclear power plants are based on the integral code MAAP. A need was recognised to compare these calculations with calculations done with mechanistic codes. In the present work SCDAP/RELAP5 and CONTAIN were used. Only limited results could be obtained within the frame of RAK-2.1, since many problems were encountered using the SCDAP/RELAP5 code. The main obstacle was the extremely long execution times of the MOD3.1 version, but also some dubious fission product calculations. However, some interesting results were obtained for the studied sequence, a total loss of AC power. The report describes the modelling approach for SCDAP/RELAP5 and CONTAIN, and discusses results for the transient including the event of a surge line creep rupture. The study will probably be completed later, providing that an improved SCDAP/RELAP5 code version becomes available. (au) becomes available. (au)
Simple Calculation Programs for Biology Other Methods
First page Back Continue Last page Overview Graphics. Simple Calculation Programs for Biology Other Methods. Hemolytic potency of drugs. Raghava et al., (1994) Biotechniques 17: 1148. FPMAP: methods for classification and identification of microorganisms 16SrRNA. graphical display of restriction and fragment map of ...
Calculations enable optimum design of magnetic brake
Kosmahl, H. G.
1966-01-01
Mathematical analysis and computations determine optimum magnetic coil configurations for a magnetic brake which controllably decelerates a free falling load to a soft stop. Calculations on unconventionally wound coils determine the required parameters for the desired deceleration with minimum electrical energy supplied to the stationary coil.
Using Angle calculations to demonstrate vowel shifts
Fabricius, Anne
2008-01-01
This paper gives an overview of the long-term trends of diachronic changes evident within the short vowel system of RP during the 20th century. more specifically, it focusses on changing juxtapositions of the TRAP, STRUT and LOT, FOOT vowel centroid positions. The paper uses geometric calculation...
Simple Calculation Programs for Biology Immunological Methods
First page Back Continue Last page Overview Graphics. Simple Calculation Programs for Biology Immunological Methods. Computation of Ab/Ag Concentration from EISA data. Graphical Method; Raghava et al., 1992, J. Immuno. Methods 153: 263. Determination of affinity of Monoclonal Antibody. Using non-competitive ...
Anomaly coefficients: Their calculation and congruences
Braden, H.W.
1988-01-01
A new method for the calculation of anomaly coefficients is presented. For su(n) some explicit and general expressions are given for these. In particular, certain congruences are discovered and investigated among the leading anomaly coefficients. As an application of these congruences, the absence of global six-dimensional gauge anomalies is shown
Staggering towards a calculation of weak amplitudes
Sharpe, S.R.
1988-09-01
An explanation is given of the methods required to calculate hadronic matrix elements of the weak Hamiltonians using lattice QCD with staggered fermions. New results are presented for the 1-loop perturbative mixing of the weak interaction operators. New numerical techniques designed for staggered fermions are described. A preliminary result for the kaon B parameter is presented. 24 refs., 3 figs.
Total energy calculations and bonding at interfaces
Louie, S.G.
1984-08-01
Some of the concepts and theoretical techniques employed in recent ab initio studies of the electronic and structural properties of surfaces and interfaces are discussed. Results of total energy calculations for the 2 x 1 reconstructed diamond (111) surface and for stacking faults in Si are reviewed. 30 refs., 8 figs
Engineering calculations in radiative heat transfer
Gray, W A; Hopkins, D W
1974-01-01
Engineering Calculations in Radiative Heat Transfer is a six-chapter book that first explains the basic principles of thermal radiation and direct radiative transfer. Total exchange of radiation within an enclosure containing an absorbing or non-absorbing medium is then described. Subsequent chapters detail the radiative heat transfer applications and measurement of radiation and temperature.
Financial gap calculations for existing cogeneration 2008
Hers, S.J.; Wetzels, W.; Seebregts, A.J.; Van der Welle, A.J.
2008-05-01
The Dutch SDE (abbreviation for the renewable energy incentive) subsidy scheme promotes the reduction of CO2 emissions which results from the use of Combined Heat and Power (CHP) plants. This report calculates the profitability of operation of existing CHP plants. This information can be used for decision making on the SDE subsidy for existing CHP plants in 2008 [nl
GENMOD - A program for internal dosimetry calculations
Dunford, D.W.; Johnson, J.R.
1987-12-01
The computer code GENMOD was created to calculate the retention and excretion, and the integrated retention for selected radionuclides under a variety of exposure conditions. Since the creation of GENMOD new models have been developed and interfaced to GENMOD. This report describes the models now included in GENMOD, the dosimetry factors database, and gives a brief description of the GENMOD program
Reactor performance calculations for water reactors
Hicks, D.
1970-04-01
The principles of nuclear, thermal and hydraulic performance calculations for water cooled reactors are discussed. The principles are illustrated by describing their implementation in the UKAEA PATRIARCH scheme of computer codes. This material was originally delivered as a course of lectures at the Technical University of Helsinki in Summer of 1969.
Nonlinear calculations for BL Her stars
Hodson, S.W.; Cox, A.N.; King, D.S.
1980-01-01
From the linear and nonlinear calculations it is evident that bumps occur in the velocity and light curves when there is a near resonance between π 0 and π 2 . In addition, these resonance bumps do not seem to depend on the limit cycle amplitude, and cannot be attributed to the surface shock encountered when models are driven to excessively high amplitudes
Optimization of linear Monte Carlo calculations
Troubetzkoy, E.S.
1991-01-01
The variance of the calculation is minimized on the basis of parameters generated by a learning technique. The optimum is obtained if sampling is biased proportionally to the expected root-mean-square score. In this paper, the method is compared with existing methods, which bias proportionally to the expected score
Preliminary isodose calculation for gynecological curietherapy
Bridier, A.; Dutreix, A.; Gerbaulet, A.; Chassagne, D.
1981-01-01
We present a preliminary method of calculating the dimensions of the reference isodose, based upon the geometrical distribution and length of the sources used, their linear activity and the length of treatment, that does not require use of a computer. Inversely, this method can be used to determine the factors necessary to produce a given shape of isodose, and also to predict the change in shape of the isodose that will be produced by altering the various factors. This method was derived from a systematic computer study of dose distribution in which each factor was varied independently of all others. The dimensions of the isodoses, calculated by this method, were found to be in agreement with those derived from computer calculation to within an error of about 2 mm. The method is only applicable for a limited range of positions of the vaginal sources. The influence of the positions of these sources along the line of the axis of uterine catheter and of their inclination to this line, are currently being studied. The results are presented as mathematical formulae relating each dimension of the isodose curves to the features of the application, but could equally well be expressed in tabular form that would be more convenient for everyday use. An example of the calculation used is given to facilitate understanding of the method [fr
Criticality criteria for submissions based on calculations
Burgess, M.H.
1975-06-01
Calculations used in criticality clearances are subject to errors from various sources, and allowance must be made for these errors is assessing the safety of a system. A simple set of guidelines is defined, drawing attention to each source of error, and recommendations as to its application are made. (author)
Calculated optical absorption of different perovskite phases
Castelli, Ivano E. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark; Thygesen, Kristian S. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark; Jacobsen, Karsten W. [Center for Atomic-scale Materials Design; Department of Physics; Technical University of Denmark; DK 2800, Kongens Lyngby; Denmark
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.
Calculation of CSF spaces in CT
Hacker, H; Artmann, H [Frankfurt Univ. (Germany, F.R.). Abt. fuer Neuroradiologie
1978-01-01
Objective digital determination of CSF spaces is discussed, with ventricular and subarachnoid spaces handled separately. This method avoids the difficulty of visual definition of ventricular borders in planimetric measurements. The principle is to count automatically all pixels corresponding to CSF in a given region with a Hounsfield unit and to multiply this number by the pixel size. This will give the total surface area of CSF spaces in square millimeters. The calculation of pixel values for CSF spaces and brain tissue is experimentally formulated taking the intersection of the Gaussian curves for ventricular content and brain tissue. In practice, the determination of CSF spaces is done by first calculating a histogram of the total brain in a given slice defining all CSF spaces. Next a histogram of a region including ventricles with adjoining tissue is calculated and the ventricular size is calculated. By subtraction of the ventricle value from the total CSF space value, the subarachnoid space size is obtained. The advantages of this mehtod will be discussed.
CALCULATION: PRECIPITATION CHARACTERISITICS FOR STORM WATER MANAGEMENT
D. Ambos
2000-01-01
This Calculation is intended to satisfy engineering requirements for maximum 60-minute precipitation amounts for 50 and 100-year return periods at and near Yucca Mountain. This data requirement is documented in the ''Interface Control Document for Support Operations to Surface Facilities Operations Functional and Organizational Interfaces'' (CRWMS M and O 1998a). These developed data will supplement the information on 0.1 hour to 6-hour (in 0.1-hour increments) probable maximum precipitation (PMP) presented in the report, ''Precipitation Design Criteria for Storm Water Management'' (CRWMS M and O 1998b). The Reference Information Base (RIB) item, Precipitation ''Characteristics for Storm Water Management'' (M09902RIB00045 .OOO), was developed based on CRWMS M and O (1998b) and will be supplemented (via revision) with the information developed in this Calculation. The ''Development Plan for the Calculation: Precipitation Characteristics for Storm Water Management'' (CRWMS M and O 2000) was prepared in accordance with AP-2.l3Q, ''Technical Product Development Planning''. This calculation was developed in accordance with AP-3.12Q, Rev. O/ICN 2
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...
Calculation of nucleon electromagnetic form factors
Renner, D.B.; Brower, R.; Dolgov, D.; Eicker, N.; Lippert, Th.; Negele, J.W.; Pochinsky, A.; Schilling, K.
2003-01-01
The formalism is developed to express nucleon matrix elements of the electromagnetic current in terms of form factors consistent with the translational, rotational, and parity symmetries of a cubic lattice. We calculate the number of these form factors and show how appropriate linear combinations approach the continuum limit
40 CFR 91.1307 - Credit calculation.
2010-07-01
... family in kW (sales weighted). The power of each configuration is the rated output in kilowatts as....1307 Credit calculation. For each participating engine family, emission credits (positive or negative... for an engine family whether generating positive or negative in-use emission credits: ER04oc96.053...
CENTRIFUGAL COMPRESSOR EFFICIENCY CALCULATION WITH HEAT TRANSFER
Valeriu Dragan
2017-12-01
and manner under which the efficiency itself is calculated. The paper presents a more robust approach to measuring efficiency, regardless of the heat transfer within the turbomachinery itself. Possible applications of the study may range from cold-start regime simulation to the optimization of inter-cooling setup or even flow angle control without mechanically actuated OGV
The treatment of exposure for VNEM calculations
Beere, William
2004-01-01
The VNEM approach to solving multi assembly neutron calculations has been shown to accurately reproduce pin power distributions [1]. However, this high accuracy is only possible when the contents of a node are accurately known. This is generally the case for fresh fuel, but once fuel has been exposed its composition changes. Often these changes are described by only a few parameters per node, such as exposure and spectral history. This ignores any tilt or boundary effects for the node. This can have significant effect on the accuracy of any neutron calculation. So if accurate neutron flux and power distributions are required it is also necessary to accurately describe the effects of exposure in a reactor situation. Thus, it is desired to study possible methods to generate VNEM coefficients for a node in a reactor situation. In this report we will suggest a possible method for modelling exposure and spectral history effects. Other effects as void fraction or boron concentration will not be considered here. Special attention has been placed on the ability to accommodate differences in power and spectral spatial distributions. The spatial distributions of exposure and spectral history are modelled as a set of expansion functions based on a set of given functions and the results of infinite lattice calculations. This method is shown to be adequate in reproducing multi assembly cross section distributions. Thus, further testing is required to check its ability to generate VNEM coefficients and ultimately flux distributions for multi assembly calculations. (Author)
Selection of skin dose calculation methodologies
Farrell, W.E.
1987-01-01
This paper reports that good health physics practice dictates that a dose assessment be performed for any significant skin contamination incident. There are, however, several methodologies that could be used, and while there is probably o single methodology that is proper for all cases of skin contamination, some are clearly more appropriate than others. This can be demonstrated by examining two of the more distinctly different options available for estimating skin dose the calculational methods. The methods compiled by Healy require separate beta and gamma calculations. The beta calculational method is the derived by Loevinger, while the gamma dose is calculated from the equation for dose rate from an infinite plane source with an absorber between the source and the detector. Healy has provided these formulas in graphical form to facilitate rapid dose rate determinations at density thicknesses of 7 and 20 mg/cm 2 . These density thicknesses equate to the regulatory definition of the sensitive layer of the skin and a more arbitrary value to account of beta absorption in contaminated clothing
Experimental verification of stored energy calculations
Hann, C.R.; Christensen, J.A.; Lanning, D.D.; Marshall, R.K.; Williford, R.E.
1975-01-01
A description is provided of irradiation tests designed to provide data needed to verify existing steady state fuel performance codes. The tests are being conducted in the Halden Reactor, and are designed to provide data pertinent to stored energy calculations over a range of linear heat ratings utilized in contemporary power reactors
First-principles calculations of mobility
Krishnaswamy, Karthik
First-principles calculations can be a powerful predictive tool for studying, modeling and understanding the fundamental scattering mechanisms impacting carrier transport in materials. In the past, calculations have provided important qualitative insights, but numerical accuracy has been limited due to computational challenges. In this talk, we will discuss some of the challenges involved in calculating electron-phonon scattering and carrier mobility, and outline approaches to overcome them. Topics will include the limitations of models for electron-phonon interaction, the importance of grid sampling, and the use of Gaussian smearing to replace energy-conserving delta functions. Using prototypical examples of oxides that are of technological importance-SrTiO3, BaSnO3, Ga2O3, and WO3-we will demonstrate computational approaches to overcome these challenges and improve the accuracy. One approach that leads to a distinct improvement in the accuracy is the use of analytic functions for the band dispersion, which allows for an exact solution of the energy-conserving delta function. For select cases, we also discuss direct quantitative comparisons with experimental results. The computational approaches and methodologies discussed in the talk are general and applicable to other materials, and greatly improve the numerical accuracy of the calculated transport properties, such as carrier mobility, conductivity and Seebeck coefficient. This work was performed in collaboration with B. Himmetoglu, Y. Kang, W. Wang, A. Janotti and C. G. Van de Walle, and supported by the LEAST Center, the ONR EXEDE MURI, and NSF.
Pregnant woman mode for absorbed fraction calculations
Cloutier, R.J.; Snyder, W.S.; Watson, E.E.
1977-01-01
The most radiation-sensitive segment of our population is the developing fetus. Until recently, methods available for calculating the dose to the fetus were inadequate because a model for the pregnant woman was not available. Instead, the Snyder and Fisher model of Reference Man, which includes a uterus, was frequently used to calculate absorbed fractions when the source was in various organs of the body and the nongravid uterus was the target. These values would be representative of the dose to the embryo during the early stages of pregnancy. Unfortunately, Reference Man is considerable larger than Reference Woman. The authors recently reported on the design of a Reference Woman phantom that has dimensions quite similar to the ICRP Reference Woman. This phantom was suitable for calculating the dose to the embryo during early stages of pregnancy (0 to 3 mo.), but was not suitable for the later stages of pregnancy because of the changing shape of the mother and the displacement of several abdominal organs brought about by the growth of the uterus and fetus. The models of Reference Woman that were subsequently developed for each month of pregnancy are described. The models take into account the growth of the uterus and fetus and the repositioning of the various abdominal organs. These models have been used to calculate absorbed fractions for the fetus as a target and the gastrointestinal tract as a source of radiation for twelve photon energies ranging from 10 keV to 4 MeV
Calculating Shocks In Flows At Chemical Equilibrium
Eberhardt, Scott; Palmer, Grant
1988-01-01
Boundary conditions prove critical. Conference paper describes algorithm for calculation of shocks in hypersonic flows of gases at chemical equilibrium. Although algorithm represents intermediate stage in development of reliable, accurate computer code for two-dimensional flow, research leading up to it contributes to understanding of what is needed to complete task.
Precipitates/Salts Model Sensitivity Calculation
P. Mariner
2001-12-20
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 (CO{sub 2}) on the chemical evolution of water in the drift.
A note on weighted premium calculation principles
Kaluszka, M.; Laeven, R.J.A.; Okolewski, A.
2012-01-01
A prominent problem in actuarial science is to determine premium calculation principles that satisfy certain criteria. Goovaerts et al. [Goovaerts, M. J., De Vylder, F., Haezendonck, J., 1984. Insurance Premiums: Theory and Applications. North-Holland, Amsterdam, p. 84] establish an optimality-type
Ab initio calculations of cross luminescence materials
Kanchana, V.
2016-01-01
Abintio calculations have been performed to study the structural, electronic, and optical properties of ABX 3 (A=alkali, B=alkaline-earth, and X=halide) compounds. The ground state properties are calculated using the pseudopotential method with the inclusion of van der Waals interaction, which we find inevitable in reproducing the experimental structure properties in alkali iodides because of its layered structure. All calculations were performed using the Full-Potential Linearized Augmented Plane Wave method. The band structures are plotted with various functionals and we find the newly developed Tran and Blaha modified Becke-Johnson potential to improve the band gap significantly. The optical properties such as complex dielectric function, refractive index, and absorption spectra are calculated which clearly reveal the optically isotropic nature of these materials though being structurally anisotropic, which is the key requirement for ceramic scintillators. Cross luminescence materials are very interesting because of its fast decay. One of the major criteria for the cross luminescence to happen is the energy difference between valence band and next deeper core valence band being lesser when compared to energy gap of the compound, so that radiative electronic transition may occur between valence band and core valence band. We found this criteria to be satisfied in all the studied compounds leading to cross luminescence except for KSrI 3 , RbSrI 3 . The present study suggest that among the six compounds studied, CsSrI 3 , CsMgCl 3 , CsCaCl 3 , and CsSrCl 3 compounds are cross luminescence materials, which is well explained from the band structure, optical properties calculations. Chlorides are better scintillators that iodides and CsMgCl 3 is found to be promising one among the studied compounds. Apart from these materials we have also discussed electronic structure and optical properties of other scintillator compounds. (author)
Radionuclide release calculations for SAR-08
Thomson, Gavin; Miller, Alex; Smith, Graham; Jackson, Duncan
2008-04-01
Following a review by the Swedish regulatory authorities of the post-closure safety assessment of the SFR 1 disposal facility for low and intermediate waste (L/ILW), SAFE, the SKB has prepared an updated assessment called SAR-08. This report describes the radionuclide release calculations that have been undertaken as part of SAR-08. The information, assumptions and data used in the calculations are reported and the results are presented. The calculations address issues raised in the regulatory review, but also take account of new information including revised inventory data. The scenarios considered include the main case of expected behaviour of the system, with variants; low probability releases, and so-called residual scenarios. Apart from these scenario uncertainties, data uncertainties have been examined using a probabilistic approach. Calculations have been made using the AMBER software. This allows all the component features of the assessment model to be included in one place. AMBER has been previously used to reproduce results the corresponding calculations in the SAFE assessment. It is also used in demonstration of the IAEA's near surface disposal assessment methodology ISAM and has been subject to very substantial verification tests and has been used in verifying other assessment codes. Results are presented as a function of time for the release of radionuclides from the near field, and then from the far field into the biosphere. Radiological impacts of the releases are reported elsewhere. Consideration is given to each radionuclide and to each component part of the repository. The releases from the entire repository are also presented. The peak releases rates are, for most scenarios, due to organic C-14. Other radionuclides which contribute to peak release rates include inorganic C-14, Ni-59 and Ni-63. (author)