Global calculations of fission barriers and beta-decay properties of neutron-rich nuclei
Energy Technology Data Exchange (ETDEWEB)
Moller, P. (Peter); Sierk, A. J. (Arnold J.); Ichikawa, Takatoshi; Iwamoto, A. (Akira)
2004-01-01
Recently we have performed large-scale calculations of fission barriers in the actinide region based on five-dimensional deformation spaces with more than 3,000,000 deformation points for each potential-energy surface. We have determined new model constants. We have also extended our model to axially asymmetric shapes. We apply these techniques to the calculations of fission barriers of heavy nuclei from the line of beta stability to the r-process line. The aim is to study fission near the end of the r-process. We have also extended our model of {beta}-decay so that allowed Gamow-Teller transitions are treated in a quasi-particle random-phase approximation as earlier, but we now also consider first-forbidden transitions in the statistical gross theory. We discuss the properties of this enhanced model and present results of global calculations.
Directory of Open Access Journals (Sweden)
N. Carjan
2015-07-01
Full Text Available The main properties of the neutrons released during the neck rupture are calculated for U236 in the frame of a dynamical scission model: the angular distribution with respect to the fission axis (on spheres of radii R=30 and 40 fm and at time T=4×10−21 s, the distribution of the average neutron energies (for durations of the neck rupture ΔT=1 and 2×10−22 s and the total neutron multiplicity (for two values of the minimum neck-radius rmin=1.6 and 1.9 fm. They are compared with measurements of prompt fission neutrons during U235(nth,f. The experimental trends are qualitatively reproduced, i.e., the focusing of the neutrons along the fission axis, the preference of emission from the light fragment, the range, slope and average value of the neutron energy-spectrum and the average total neutron multiplicity.
Density functional theory calculations of defect and fission gas properties in U-Si fuels
International Nuclear Information System (INIS)
Accident tolerant fuels (ATF) are being developed in response to the Fukushima Daiichi accident in Japan. One of the options being pursued is U-Si fuels, such as the U3Si2 and U3Si5 compounds, which benefit from high thermal conductivity (metallic) compared to the UO2 fuel (insulator or semi-conductor) used in current Light Water Reactors (LWRs). The U-Si fuels also have higher fissile density. In order to perform meaningful engineering scale nuclear fuel performance simulations, the material properties of the fuel, including the response to irradiation environments, must be known. Unfortunately, the data available for U-Si fuels are rather limited, in particular for the temperature range where LWRs would operate. The ATF HIP is using multi-scale modeling and simulations to address this knowledge gap. The present study investigates point defect and fission gas properties in U3Si2, which is one of the main fuel candidates, using density functional theory (DFT) calculations. Based on a few assumption regarding entropy contributions, defect and fission diffusivities are predicted. Even though uranium silicides have been shown to amorphize easily at low temperature, we assume that U3Si2 remains crystalline under the conditions expected in Light Water Reactors (LWRs). The temperature and dose where amorphization occurs has not yet been well established.
Density functional theory calculations of defect and fission gas properties in U-Si fuels
Energy Technology Data Exchange (ETDEWEB)
Andersson, Anders David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-02-03
Accident tolerant fuels (ATF) are being developed in response to the Fukushima Daiichi accident in Japan. One of the options being pursued is U-Si fuels, such as the U_{3}Si_{2} and U_{3}Si_{5} compounds, which benefit from high thermal conductivity (metallic) compared to the UO_{2} fuel (insulator or semi-conductor) used in current Light Water Reactors (LWRs). The U-Si fuels also have higher fissile density. In order to perform meaningful engineering scale nuclear fuel performance simulations, the material properties of the fuel, including the response to irradiation environments, must be known. Unfortunately, the data available for U-Si fuels are rather limited, in particular for the temperature range where LWRs would operate. The ATF HIP is using multi-scale modeling and simulations to address this knowledge gap. The present study investigates point defect and fission gas properties in U_{3}Si_{2}, which is one of the main fuel candidates, using density functional theory (DFT) calculations. Based on a few assumption regarding entropy contributions, defect and fission diffusivities are predicted. Even though uranium silicides have been shown to amorphize easily at low temperature, we assume that U_{3}Si_{2} remains crystalline under the conditions expected in Light Water Reactors (LWRs). The temperature and dose where amorphization occurs has not yet been well established.
Calculation code of the fission products activity
International Nuclear Information System (INIS)
The document describes the two codes for the calculation of the fission products activity. The ''Pepin le bref'' code gives the exact value of the beta and gamma activities of completely known fission products. The code ''Plus Pepin'' introduces the beta and gamma activities whose properties are partially known. (A.L.B.)
Microscopic Calculations of 240Pu Fission
Energy Technology Data Exchange (ETDEWEB)
Younes, W; Gogny, D
2007-09-11
Hartree-Fock-Bogoliubov calculations have been performed with the Gogny finite-range effective interaction for {sup 240}Pu out to scission, using a new code developed at LLNL. A first set of calculations was performed with constrained quadrupole moment along the path of most probable fission, assuming axial symmetry but allowing for the spontaneous breaking of reflection symmetry of the nucleus. At a quadrupole moment of 345 b, the nucleus was found to spontaneously scission into two fragments. A second set of calculations, with all nuclear moments up to hexadecapole constrained, was performed to approach the scission configuration in a controlled manner. Calculated energies, moments, and representative plots of the total nuclear density are shown. The present calculations serve as a proof-of-principle, a blueprint, and starting-point solutions for a planned series of more comprehensive calculations to map out a large set of scission configurations, and the associated fission-fragment properties.
Improved Calculation of Thermal Fission Energy
Ma, X. B.; Zhong, W. L.; Wang, L. Z.; Y. X. Chen; Cao, J
2012-01-01
Thermal fission energy is one of the basic parameters needed in the calculation of antineutrino flux for reactor neutrino experiments. It is useful to improve the precision of the thermal fission energy calculation for current and future reactor neutrino experiments, which are aimed at more precise determination of neutrino oscillation parameters. In this article, we give new values for thermal fission energies of some common thermal reactor fuel isotopes, with improvements on three aspects. ...
Fission cross section calculations for Pa isotopes
International Nuclear Information System (INIS)
Based on the recently measured cross-section values for the neutron-induced fission of 231Pa and our experience gained with other isotopes, new self consistent neutron cross section calculations for n+231Pa have been performed up to 30 MeV. The results are quite different to the existing evaluations, especially above the first chance fission threshold. (authors)
Calculated medium energy fission cross sections
International Nuclear Information System (INIS)
An analysis has been made of medium-energy nucleon induced fission of 238U and 237Np using detailed models of fission, based upon the Bohr-Wheeler formalism. Two principal motivations were associated with these calculations. The first was determination of barrier parameters for proton-rich uranium and neptunium isotopes normally not accessible in lower energy reactions. The second was examination of the consistency between (p,f) experimental data versus new (n,f) data that has recently become available. Additionally, preliminary investigations were also made concerning the effect of fission dynamics on calculated fission cross sections at higher energies where neutron emission times may be significantly less than those associated with fission
A revised calculational model for fission
International Nuclear Information System (INIS)
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)
A revised calculational model for fission
Energy Technology Data Exchange (ETDEWEB)
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)
Trajectory Calculations in Light-Particle Fission
International Nuclear Information System (INIS)
Trajectory calculations based on a three-point-charge model were carried out for fission accompanied by 1H, 2H, 3H, 4He, 6He, 3He emission. The calculations were carried out with the intent of obtaining for each of these modes of fission the initial conditions which best fit the experimental results. The results indicate that both the initial distances between the fission fragments at scission and the initial kinetic energies of the particles tend to decrease as the mass of the light particle increases. In addition it was found that the experimental results could be better fitted by assuming that the particles are emitted off the axis connecting both fission fragments rather than on this axis. (author)
Calculation of fission reactions within the MM-RNR model
International Nuclear Information System (INIS)
In the past fission-fragment properties and cross-sections for 235,238U(n, f), 237Np(n, f), 239Pu(n, f) and 252Cf(SF) have been investigated. The interpretation of the experimental data in the frame of the multi-modal random neck-rupture (MM-RNR) model has been incorporated into the most recent evaluation exercise on neutron-induced fission cross-section and prompt-neutron emission data in the actinide region of the chart of nuclides. The three most dominant fission modes were considered, the two asymmetric standard I (S1) and standard II (S2) modes and the symmetric superlong (SL) mode, namely. Except for 252Cf, de-convoluted modal fission cross-sections as well as prompt neutron multiplicity and spectra have been calculated in the energy range from 0.01 MeV to 5.5 MeV in excellent agreement with experimental data. In addition, the obtained fission-mode branching ratios allow the calculation of fission-fragment yield and energy distributions where no experimental data exist. Most recently the first ever-direct measurement of the neutron-induced fission cross-section of 233Pa has been performed at IRMM. The subsequent evaluation suggests a radical revision of today's evaluated data files. (author)
Calculations of fission rates for r-process nucleosynthesis
Panov, I. V.; Kolbe, E.; Pfeiffer, B.; Rauscher, T.; Kratz, K.-L.; Thielemann, F. -K.
2004-01-01
Fission plays an important role in the r-process which is responsible not only for the yields of transuranium isotopes, but may have a strong influence on the formation of the majority of heavy nuclei due to fission recycling. We present calculations of beta-delayed and neutron-induced fission rates, taking into account different fission barriers predictions and mass formulae. It is shown that an increase of fission barriers results naturally in a reduction of fission rates, but that neverthe...
Model for fission-product calculations
International Nuclear Information System (INIS)
Many fission-product cross sections remain unmeasurable thus considerable reliance must be placed upon calculational interpolation and extrapolation from the few available measured cross sections. The vehicle, particularly for the lighter fission products, is the conventional optical-statistical model. The applied goals generally are: capture cross sections to 7 to 10% accuracies and inelastic-scattering cross sections to 25 to 50%. Comparisons of recent evaluations and experimental results indicate that these goals too often are far from being met, particularly in the area of inelastic scattering, and some of the evaluated fission-product cross sections are simply physically unreasonable. It is difficult to avoid the conclusion that the models employed in many of the evaluations are inappropriate and/or inappropriately used. In order to alleviate the above unfortunate situations, a regional optical-statistical (OM) model was sought with the goal of quantitative prediction of the cross sections of the lighter-mass (Z = 30-51) fission products. The first step toward that goal was the establishment of a reliable experimental data base consisting of energy-averaged neutron total and differential-scattering cross sections. The second step was the deduction of a regional model from the experimental data. It was assumed that a spherical OM is appropriate: a reasonable and practical assumption. The resulting OM then was verified against the measured data base. Finally, the physical character of the regional model is examined
Calculations of fission rates for r-process nucleosynthesis
Panov, I V; Pfeiffer, B; Rauscher, T; Kratz, K L; Thielemann, F K
2005-01-01
Fission plays an important role in the r-process which is responsible not only for the yields of transuranium isotopes, but may have a strong influence on the formation of the majority of heavy nuclei due to fission recycling. We present calculations of beta-delayed and neutron-induced fission rates, taking into account different fission barriers predictions and mass formulae. It is shown that an increase of fission barriers results naturally in a reduction of fission rates, but that nevertheless fission leads to the termination of the r-process. Furthermore, it is discussed that the probability of triple fission could be high for $A>260$ and have an effect on the formation of the abundances of heavy nuclei. Fission after beta-delayed neutron emission is discussed as well as different aspects of the influence of fission upon r-process calculations.
Fission properties of the heaviest elements
International Nuclear Information System (INIS)
The authors discuss fission properties of the heaviest elements. In particular they focus on stability with respect to spontaneous fission and on the prospects of extending the region of known nuclei beyond the peninsula of currently known nuclides
Correlation measurements of fission-fragment properties
Oberstedt A.; Martinez T.; Kis Z.; Karlsson J.; Hambsch F.-J.; Cano-Ott D.; Göök A.; Borcea R.; Billnert R.; Belgya T.; Oberstedt S.; Szentmiklosi L.; Takác K.
2010-01-01
For the development of future nuclear fission applications and for a responsible handling of nuclear waste the a-priori assessment of the fission-fragments’ heat production and toxicity is a fundamental necessity. The success of an indispensable modelling of the fission process strongly depends on a good understanding of the particular mechanism of scission, the mass fragmentation and partition of excitation energy. Experimental observables are fission-fragment properties like mass- and energ...
Fission Product Decay Heat Calculations for Neutron Fission of 232Th
Son, P. N.; Hai, N. X.
2016-06-01
Precise information on the decay heat from fission products following times after a fission reaction is necessary for safety designs and operations of nuclear-power reactors, fuel storage, transport flasks, and for spent fuel management and processing. In this study, the timing distributions of fission products' concentrations and their integrated decay heat as function of time following a fast neutron fission reaction of 232Th were exactly calculated by the numerical method with using the DHP code.
Model Calculation of Fission Product Yields Data using GEF Code
International Nuclear Information System (INIS)
Fission yields data are classified with spontaneous fission data and neutron induced fission data. The fission product yields data at several energy points for the limited actinides are included in nuclear data libraries such as ENDF/B, JEFF and JENDL because production of those is based mainly on experimental results and it is very difficult to conduct experiments for all actinides and continuous energies. Therefore, in order to obtain fission yields data without experimental data, a theoretical fission model should be introduced to produce the yields data. GEneral Fission model (GEF) is developed to predict the properties for fissioning systems that have not been measured and that are not accessible to experiment. In this study, the fission yields data generated from GEF code are compared with the measured data and the recently available nuclear data libraries. The GEF code is very powerful tool to generate fission yields without measurements. Also, it can produce the distribution of fission product yields for continuous neutron energy while measured data are given only at several energies. The fission yields data of 235U have been tentatively generated with GEF code in this work. Comparing GEF results with measurements and recently released evaluated fission yields data, it is confirmed that GEF code can successfully predict the fission yields data. With its sophisticated model, GEF code is playing a significant role in nuclear industry
The MCEF code for nuclear evaporation and fission calculations
International Nuclear Information System (INIS)
We present an object oriented algorithm, written in the Java programming language, which performs a Monte Carlo calculation of the evaporation-fission process taking place inside an excited nucleus. We show that this nuclear physics problem is very suited for the object oriented programming by constructing two simple objects: one that handles all nuclear properties and another that takes care of the nuclear reaction. The MCEF code was used to calculate important results for nuclear reactions, and here we show examples of possible uses for this code. (author)
International Nuclear Information System (INIS)
Highlights: • Fission yield data and uncertainty comparison between major nuclear data libraries. • Fission yield covariance generation through Bayesian technique. • Study of the effect of fission yield correlations on decay heat calculations. • Covariance information contribute to reduce fission pulse decay heat uncertainty. - Abstract: Fission product yields are fundamental parameters in burnup/activation calculations and the impact of their uncertainties was widely studied in the past. Evaluations of these uncertainties were released, still without covariance data. Therefore, the nuclear community expressed the need of full fission yield covariance matrices to be able to produce inventory calculation results that take into account the complete uncertainty data. State-of-the-art fission yield data and methodologies for fission yield covariance generation were researched in this work. Covariance matrices were generated and compared to the original data stored in the library. Then, we focused on the effect of fission yield covariance information on fission pulse decay heat results for thermal fission of 235U. Calculations were carried out using different libraries and codes (ACAB and ALEPH-2) after introducing the new covariance values. Results were compared with those obtained with the uncertainty data currently provided by the libraries. The uncertainty quantification was performed first with Monte Carlo sampling and then compared with linear perturbation. Indeed, correlations between fission yields strongly affect the uncertainty of decay heat. Eventually, a sensitivity analysis of fission product yields to fission pulse decay heat was performed in order to provide a full set of the most sensitive nuclides for such a calculation
Spontaneous fission properties and lifetime systematics
International Nuclear Information System (INIS)
Half-lives for spontaneous fission of nuclides with even and odd numbers of particles are compared with recent theoretical calculations. A summary of odd particle hindrance factors is given. The most recent measurements of kinetic-energy and mass distributions and neutron emission for spontaneous fission of the heaviest nuclides are summarized and discussed. 51 refs., 9 figs
Fission yield calculation using toy model based on Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Jubaidah, E-mail: jubaidah@student.itb.ac.id [Nuclear Physics and Biophysics Division, Department of Physics, Bandung Institute of Technology. Jl. Ganesa No. 10 Bandung – West Java, Indonesia 40132 (Indonesia); Physics Department, Faculty of Mathematics and Natural Science – State University of Medan. Jl. Willem Iskandar Pasar V Medan Estate – North Sumatera, Indonesia 20221 (Indonesia); Kurniadi, Rizal, E-mail: rijalk@fi.itb.ac.id [Nuclear Physics and Biophysics Division, Department of Physics, Bandung Institute of Technology. Jl. Ganesa No. 10 Bandung – West Java, Indonesia 40132 (Indonesia)
2015-09-30
Toy model is a new approximation in predicting fission yield distribution. Toy model assumes nucleus as an elastic toy consist of marbles. The number of marbles represents the number of nucleons, A. This toy nucleus is able to imitate the real nucleus properties. In this research, the toy nucleons are only influenced by central force. A heavy toy nucleus induced by a toy nucleon will be split into two fragments. These two fission fragments are called fission yield. In this research, energy entanglement is neglected. Fission process in toy model is illustrated by two Gaussian curves intersecting each other. There are five Gaussian parameters used in this research. They are scission point of the two curves (R{sub c}), mean of left curve (μ{sub L}) and mean of right curve (μ{sub R}), deviation of left curve (σ{sub L}) and deviation of right curve (σ{sub R}). The fission yields distribution is analyses based on Monte Carlo simulation. The result shows that variation in σ or µ can significanly move the average frequency of asymmetry fission yields. This also varies the range of fission yields distribution probability. In addition, variation in iteration coefficient only change the frequency of fission yields. Monte Carlo simulation for fission yield calculation using toy model successfully indicates the same tendency with experiment results, where average of light fission yield is in the range of 90fission yield is in about 135
Fission yield calculation using toy model based on Monte Carlo simulation
International Nuclear Information System (INIS)
Toy model is a new approximation in predicting fission yield distribution. Toy model assumes nucleus as an elastic toy consist of marbles. The number of marbles represents the number of nucleons, A. This toy nucleus is able to imitate the real nucleus properties. In this research, the toy nucleons are only influenced by central force. A heavy toy nucleus induced by a toy nucleon will be split into two fragments. These two fission fragments are called fission yield. In this research, energy entanglement is neglected. Fission process in toy model is illustrated by two Gaussian curves intersecting each other. There are five Gaussian parameters used in this research. They are scission point of the two curves (Rc), mean of left curve (μL) and mean of right curve (μR), deviation of left curve (σL) and deviation of right curve (σR). The fission yields distribution is analyses based on Monte Carlo simulation. The result shows that variation in σ or µ can significanly move the average frequency of asymmetry fission yields. This also varies the range of fission yields distribution probability. In addition, variation in iteration coefficient only change the frequency of fission yields. Monte Carlo simulation for fission yield calculation using toy model successfully indicates the same tendency with experiment results, where average of light fission yield is in the range of 90fission yield is in about 135
Schunck, N.; Duke, DJ; Carr, H.; Knoll, A
2013-01-01
Eighty years after its experimental discovery, a description of induced nuclear fission based solely on the interactions between neutrons and protons and quantum many-body methods still poses formidable challenges. The goal of this paper is to contribute to the development of a predictive microscopic framework for the accurate calculation of static properties of fission fragments for hot fission and thermal or slow neutrons. To this end, we focus on the Pu239(n,f) reaction and employ nuclear ...
Correlation measurements of fission-fragment properties
Directory of Open Access Journals (Sweden)
Oberstedt A.
2010-10-01
Full Text Available For the development of future nuclear fission applications and for a responsible handling of nuclear waste the a-priori assessment of the fission-fragments’ heat production and toxicity is a fundamental necessity. The success of an indispensable modelling of the fission process strongly depends on a good understanding of the particular mechanism of scission, the mass fragmentation and partition of excitation energy. Experimental observables are fission-fragment properties like mass- and energy-distributions, and the prompt neutron as well as γ-ray multiplicities and emission spectra. The latter quantities should preferably be known as a function of fragment mass and excitation energy. Those data are highly demanded as published by the OECD-NEA in its high priority data request list. With the construction of the double (v, E spectrometer VERDI we aim at measuring pre- and post-neutron masses directly and simultaneously to avoid prompt neutron corrections. From the simultaneous measurement of pre- and post-neutron fission-fragment data the prompt neutron multiplicity may then be inferred fully correlated with fragment mass yield and total kinetic energy. Using an ultra-fast fission event trigger spectral prompt fission γ-ray measurements may be performed. For that purpose recently developed lanthanum-halide detectors, with excellent timing characteristics, were coupled to the VERDI spectrometer allowing for a very good discrimination of fission γ-rays and prompt neutrons due to their different time-of-flight.
Directory of Open Access Journals (Sweden)
Kaplan Abdullah
2015-01-01
Full Text Available Implementation of projects of new generation nuclear power plants requires the solving of material science and technological issues in developing of reactor materials. Melts of heavy metals (Pb, Bi and Pb-Bi due to their nuclear and thermophysical properties, are the candidate coolants for fast reactors and accelerator-driven systems (ADS. In this study, α, γ, p, n and 3He induced fission cross section calculations for 209Bi target nucleus at high-energy regions for (α,f, (γ,f, (p,f, (n,f and (3He,f reactions have been investigated using different fission reaction models. Mamdouh Table, Sierk, Rotating Liquid Drop and Fission Path models of theoretical fission barriers of TALYS 1.6 code have been used for the fission cross section calculations. The calculated results have been compared with the experimental data taken from the EXFOR database. TALYS 1.6 Sierk model calculations exhibit generally good agreement with the experimental measurements for all reactions used in this study.
Improved calculation of the prompt fission neutron spectrum from the spontaneous fission of 252Cf
International Nuclear Information System (INIS)
An improved calculation is presented for the prompt fission neutron spectrum N(E) from the spontaneous fission of 252Cf. In this calculation the fission-spectrum model of Madland and Nix is used, but with several improvements leading to a physically more accurate representation of the spectrum. Specifically, the contributions to N(E) from the entire fission-fragment mass and charge distributions will be calculated instead of calculating on the basis of a seven-point approximation to the peaks of these distributions as has been done in the past. Therefore, values of the energy release in fission, fission-fragment kinetic energy, nuclear level density, and compound nucleus cross section for the inverse process will be considered on a point-by-point basis over the fragment yield distributions instead of considering averages of these quantities over the peaks of the distributions. Particular attention will be given to the energy-dependent compound nucleus cross sections and to the nuclear level density model. Other refinements to the calculation of N(E) will also be discussed. Results will be presented and compared with earlier calculations of the spectrum and with recent experimental measurements of the spectrum. 9 figs
Fission decay properties of ultra neutron-rich uranium isotopes
Indian Academy of Sciences (India)
L Satpathy; S K Patra; R K Choudhury
2008-01-01
The fission decay of highly neutron-rich uranium isotopes is investigated which shows interesting new features in the barrier properties and neutron emission characteristics in the fission process. 233U and 235U are the nuclei in the actinide region in the beta stability valley which are thermally fissile and have been mainly used in reactors for power generation. The possibility of occurrence of thermally fissile members in the chain of neutron-rich uranium isotopes is examined here. The neutron number = 162 or 164 has been predicted to be magic in numerous theoretical studies carried out over the years. The series of uranium isotopes around it with = 154-172 are identified to be thermally fissile on the basis of the fission barrier and neutron separation energy systematics; a manifestation of the close shell nature of = 162 (or 164). We consider here the thermal neutron fission of a typical representative 249U nucleus in the highly neutron-rich region. Semiempirical study of fission barrier height and width shows that 250U nucleus is stable against spontaneous fission due to increase in barrier width arising out of excess neutrons. On the basis of the calculation of the probability of fragment mass yields and the microscopic study in relativistic mean field theory, this nucleus is shown to undergo exotic decay mode of thermal neutron fission (multi-fragmentation fission) whereby a number of prompt scission neutrons are expected to be simultaneously released along with the two heavy fission fragments. Such properties will have important implications in stellar evolution involving -process nucleosynthesis.
Calculation of fission fragment angular anisotropy in heavy-ion induced fission
International Nuclear Information System (INIS)
Fission fragment angular anisotropies from 16O + 232Th, 12C + 236U, 11B + 237Np, 14N + 232Th, 11B + 235U and 12C + 232Th systems were calculated by means of the standard saddle point statistical model (SSPSM). The results were obtained with and without neutron emission correction in the reactions, and comparisons were made with the corresponding experimental data. The normal and anomalous behaviors of fission fragment anisotropies are extensively discussed. (author)
The Impact of Fission on R-Process Calculations
Eichler, M.; Arcones, A.; Käppeli, R.; Korobkin, O.; Liebendörfer, M.; Martinez-Pinedo, G.; Panov, I. V.; Rauscher, T.; Rosswog, S.; Thielemann, F.-K.; Winteler, C.
2016-01-01
We have performed r-process calculations in neutron star mergers (NSM) and jets of magnetohydrodynamically driven (MHD) supernovae. In these very neutron-rich environments the fission model of heavy nuclei has an impact on the shape of the final abundance distribution and the second r-process peak in particular. We have studied the effect of different fission fragment mass distribution models in calculations of low-Ye ejecta, ranging from a simple parametrization to extensive statistical treatments (ABLA07). The r-process path ends when it reaches an area in the nuclear chart where fission dominates over further neutron captures. The position of this point is determined by the fission barriers and the neutron separation energies of the nuclei involved. As these values both depend on the choice of the nuclear mass model, so does the r-process path. Here we present calculations using the FRDM (Finite Range Droplet Model) and the ETFSI (Extended Thomas Fermi with Strutinsky Integral) mass model with the related TF and ETFSI fission barrier predictions. Utilizing sophisticated fission fragment distribution leads to a highly improved abundance distribution.
Fission life-time calculation using a complex absorbing potential
Directory of Open Access Journals (Sweden)
Scamps Guillaume
2016-01-01
Full Text Available A comparison between the semi-classical approximation and the full quantum calculation with a complex absorbing potential is made with a model of the fission of 258Fm. The potential barrier is obtained with the constrained Skyrme HF+BCS theory. The life-time obtained by the two calculations agree with each other the difference being only by 25%.
Fission life-time calculation using a complex absorbing potential
Scamps, Guillaume
2015-01-01
A comparison between the semi-classical approximation and the full quantum calculation with a complex absorbing potential is made with a model of the fission of 258Fm. The potential barrier is obtained with the constrained Skyrme HF+BCS theory. The life-time obtained by the two calculations agree with each other the difference being only by 25%.
New Burnup Calculation System for Fusion-Fission Hybrid System
International Nuclear Information System (INIS)
Investigation of nuclear waste incineration has positively been carried out worldwide from the standpoint of environmental issues. Some candidates such as ADS, FBR are under discussion for possible incineration technology. Fusion reactor is one of such technologies, because it supplies a neutron-rich and volumetric irradiation field, and in addition the energy is higher than nuclear reactor. However, it is still hard to realize fusion reactor right now, as well known. An idea of combination of fusion and fission concepts, so-called fusion-fission hybrid system, was thus proposed for the nuclear waste incineration. Even for a relatively lower plasma condition, neutrons can be well multiplied by fission in the nuclear fuel, tritium is thus bred so as to attain its self-sufficiency, enough energy multiplication is then expected and moreover nuclear waste incineration is possible. In the present study, to realize it as soon as possible with the presently proven technology, i.e., using ITER model with the achieved plasma condition of JT60 in JAEA, Japan, a new calculation system for fusion-fission hybrid reactor including transport by MCNP and burnup by ORIGEN has been developed for the precise prediction of the neutronics performance. The author's group already has such a calculation system developed by them. But it had a problem that the cross section libraries in ORIGEN did not have a cross section library, which is suitable specifically for fusion-fission hybrid reactors. So far, those for FBR were approximately used instead in the analysis. In the present study, exact derivation of the collapsed cross section for ORIGEN has been investigated, which means it is directly evaluated from calculated track length by MCNP and point-wise nuclear data in the evaluated nuclear data file like JENDL-3.3. The system realizes several-cycle calculation one time, each of which consists of MCNP criticality calculation, MCNP fixed source calculation with a 3-dimensional precise
Dynamic properties of the Coulomb fission
International Nuclear Information System (INIS)
The heavy ion induced fission after quasi-elastic scattering was studied in the systems 208Pb -> 238U for central collision at energies below the Coulomb barrier and 238U -> 238U for peripheral collisions at scattering angles smaller than the grazing angle. The dynamical properties and the phase-space distributions of the reactions could be determined by the method of the kinematical coincidences where positions and time-of-flight of two fission fragments and a scattered projectile-like nucleus were measured at the same time in large-area gas-filled parallel plate counters. (orig./HSI)
Calculation of vapor pressure of fission product fluorides and oxyfluorides
International Nuclear Information System (INIS)
The equilibrium diagrams of the condensed phases - solid and liquid - and vapor phase are collected for the principal fluorides and oxyfluorides of fission product elements (atomic number from 30 to 66). These diagrams are used more particularly in fuel reprocessing by fluoride volatility process. Calculations and curves (vapor pressure in function of temperature) are processed using a computer program given in this report
Uncertainties in fission-product decay-heat calculations
Energy Technology Data Exchange (ETDEWEB)
Oyamatsu, K.; Ohta, H.; Miyazono, T.; Tasaka, K. [Nagoya Univ. (Japan)
1997-03-01
The present precision of the aggregate decay heat calculations is studied quantitatively for 50 fissioning systems. In this evaluation, nuclear data and their uncertainty data are taken from ENDF/B-VI nuclear data library and those which are not available in this library are supplemented by a theoretical consideration. An approximate method is proposed to simplify the evaluation of the uncertainties in the aggregate decay heat calculations so that we can point out easily nuclei which cause large uncertainties in the calculated decay heat values. In this paper, we attempt to clarify the justification of the approximation which was not very clear at the early stage of the study. We find that the aggregate decay heat uncertainties for minor actinides such as Am and Cm isotopes are 3-5 times as large as those for {sup 235}U and {sup 239}Pu. The recommended values by Atomic Energy Society of Japan (AESJ) were given for 3 major fissioning systems, {sup 235}U(t), {sup 239}Pu(t) and {sup 238}U(f). The present results are consistent with the AESJ values for these systems although the two evaluations used different nuclear data libraries and approximations. Therefore, the present results can also be considered to supplement the uncertainty values for the remaining 17 fissioning systems in JNDC2, which were not treated in the AESJ evaluation. Furthermore, we attempt to list nuclear data which cause large uncertainties in decay heat calculations for the future revision of decay and yield data libraries. (author)
A model for fission-product calculations, 1
International Nuclear Information System (INIS)
Many fission-product cross sections remain unmeasurable thus considerable reliance must be placed upon calculational interpolation and exstrapolation from the few available measured cross sections. The vehicle, particularly for the lighter fission products, is the conventional the optical-statistical model. The applied goals generally are: capture cross sections to 7 - 10 % accuracies and inelastic-scattering cross sections to 25 - 50 %. Comparisons of recent evaluations and experimental results indicate that these goals have too often are far from met, particularly in the area of inelastic scattering, and some of the evaluated fission-product cross sections are simply physically unreasonable. An example of these discrepancies is shown in a figure. The evaluated inelastic-scattering cross sections of palladium are nearly a 100 % discrepant with observation and the isotopes are prominent fission products with large inelastic-scattering cross sections at relatively low energies. It is difficult to avoid the conclusion that the models employed in many of the evaluations are inappropriate and/or inappropriately used. (author)
Neutron cross section calculations for fission-product nuclei
International Nuclear Information System (INIS)
To satisfy nuclear data requirements for fission-product nuclei, Hauser-Feshbach statistical calculations with preequilibrium corrections for neutron-induced reactions on isotopes of Se, Kr, Sr, Zr, Mo, Sn, Xe, and Ba between 0.001 and 20 MeV. Spherical neutron optical parameters were determined by simultaneous fits to resonance data and total cross sections. Isospin coefficients appearing in the optical potentials were determined through analysis of the behavior of s- and p-wave strengths as a function of mass for a given Z. Gamma-ray strength functions, determined through fits to stable-isotope capture data, were used in the calculation of capture cross sections and gamma-ray competition to particle emission. The resulting (n,γ), (n,n'), (n,2n), and (n,3n) cross sections, the secondary neutron emission spectra, and angular distributions calculated for 19 fission products will be averaged to provide a resulting ENDF-type fission-product neutronics file. 11 references
Fusion--fission neutronics calculations for the laser solenoid
International Nuclear Information System (INIS)
Neutron transport calculations are presented for several laser solenoid blanket configurations containing fast-fission lattices of uranium and thorium. The presence of a small-bore pulsed magnet and a small first-wall radius results in unique neutronics characteristics relative to other fusion concepts. Parametric calculations were completed to determine the effects of increasing the pulsed magnet thickness and of varying other key blanket parameters. Attractive fissile breeding rates could be achieved for blankets with a wide range of energy multiplication under the constraints of a tritium breeding ratio of about unity and a pulsed magnet thickness of about 3 cm
Prediction of some fission properties of actinides
International Nuclear Information System (INIS)
The 2 Z-N correlations are indications for the deuteron-triton clusters structure to most of the nuclei. For N=Z nuclei this approach indicates deuteron clusters only. The space dependence Schroedinger equation for neutron and proton in the same shell for N=Z nuclei shows that part of the time these particles behave like single particles and part of the time as deuteron clusters. The 2 Z-N correlations are used to predict some fission properties of some actinides. (author). 13 refs., 6 Tabs
Dynamical calculations of nuclear fission and heavy-ion reactions
International Nuclear Information System (INIS)
With the goal of determining the magnitude and mechanism of nuclear dissipation from comparisons of predictions with experimental data, we describe recent calculations in a unified macroscopic-microscopic approach to large-amplitude collective nuclear motion such as occurs in fission and heavy-ion reactions. We describe the time dependence of the distribution function in phase space of collective coordinates and momenta by a generalized Fokker-Planck equation. The nuclear potential energy of deformation is calculated as the sum of repulsive Coulomb and centrifugal energies and an attractive Yukawa-plus-exponential potential, the inertia tensor is calculated for a superposition of rigid-body rotation and incompressible, nearly irrotational flow by use of the Werner-Wheeler method, and the dissipation ensor that describes the conversion of collective energy into single-particle excitation energy is calculated for two prototype mechanisms that represent opposite extremes of large and small dissipation. We solve the generalized Hamilton equations of motion for the first moments of the distribution function to obtain the mean translational fission-fragment kinetic energy and mass of a third fragment that sometimes forms between the two end fragments, as well as dynamical thresholds, capture cross sections, and ternary events in heavy-ion reactions. 33 references
Directory of Open Access Journals (Sweden)
Lemaître J.-F.
2013-12-01
Full Text Available Our purpose is to determine fission fragments characteristics in a framework of a scission point model named SPY for Scission Point Yields. This approach can be considered as a theoretical laboratory to study fission mechanism since it gives access to the correlation between the fragments properties and their nuclear structure, such as shell correction, pairing, collective degrees of freedom, odd-even effects. Which ones are dominant in final state? What is the impact of compound nucleus structure? The SPY model consists in a statistical description of the fission process at the scission point where fragments are completely formed and well separated with fixed properties. The most important property of the model relies on the nuclear structure of the fragments which is derived from full quantum microscopic calculations. This approach allows computing the fission final state of extremely exotic nuclei which are inaccessible by most of the fission model available on the market.
International Nuclear Information System (INIS)
Our purpose is to determine fission fragments characteristics in a framework of a scission point model named SPY for Scission Point Yields. This approach can be considered as a theoretical laboratory to study fission mechanism since it gives access to the correlation between the fragments properties and their nuclear structure, such as shell correction, pairing, collective degrees of freedom, odd-even effects. Which ones are dominant in final state? What is the impact of compound nucleus structure? The SPY model consists in a statistical description of the fission process at the scission point where fragments are completely formed and well separated with fixed properties. The most important property of the model relies on the nuclear structure of the fragments which is derived from full quantum microscopic calculations. This approach allows computing the fission final state of extremely exotic nuclei which are inaccessible by most of the fission model available on the market. (authors)
Exotic fission properties of highly neutron-rich Uranium isotopes
Satpathy, L.; Patra, S.K.; Choudhury, R. K.
2007-01-01
The series of Uranium isotopes with $N=154 \\sim 172$ around the magic number N=162/164 are identified to be thermally fissile. The thermal neutron fission of a typical representative $^{249}$U of this region amenable to synthesis in the radioactive ion beam facilities is considered here. Semiempirical study of fission barrier height and width shows this nucleus to be infinitely stable against spontaneous fission due to increase in barrier width arising out of excess neutrons. Calculation of p...
Fission properties for r-process nuclei
Erler, J.; Langanke, K; Loens, H. P.; Martínez-Pinedo, G.; Reinhard, P.-G.
2011-01-01
We present a systematics of fission barriers and fission lifetimes for the whole landscape of super-heavy elements (SHE), i.e. nuclei with Z>100. The fission lifetimes are also compared with the alpha-decay half-lives. The survey is based on a self-consistent description in terms of the Skyrme-Hartree-Fock (SHF) approach. Results for various different SHF parameterizations are compared to explore the robustness of the predictions. The fission path is computed by quadrupole constrained SHF. Th...
International Nuclear Information System (INIS)
An improved calculation is presented for the prompt fission neutron spectrum N(E) from the spontaneous fission of /sup 252/Cf. In this calculation the fission-spectrum model of Madland and Nix is used, but with several improvements leading to a physically more accurate representation of the spectrum. Specifically, the contributions to N(E) from the entire fission-fragment mass and charge distributions will be calculated instead of calculating on the basis of a seven- point approximation to the peaks of these distributions as has been done in the past. Therefore, values of the energy release in fission, fission-fragment kinetic energy, and compound nucleus cross section for the inverse process will be considered on a point-by-point basis over the fragment yield distributions instead of considering averages of these quantities over the peaks of the distributions. Preliminary results will be presented and compared with a measurement, an earlier calculation, and a recent evaluation of the spectrum. 14 refs., 4 figs
Fission and Properties of Neutron-Rich Nuclei
Hamilton, Joseph H.; Ramayya, A. V.; Carter, H. K.
2008-08-01
Opening session. Nuclear processes in stellar explosions / M. Wiescher. In-beam [symbol]-ray spectroscopy of neutron-rich nuclei at NSCL / A. Gade -- Nuclear structure I. Shell-model structure of neutron-rich nuclei beyond [symbol]Sn / A. Covello ... [et al.]. Shell structure and evolution of collectivity in nuclei above the [symbol]Sn core / S. Sarkar and M. S. Sarkar. Heavy-ion fusion using density-constrained TDHF / A. S. Umar and V. E. Oberacker. Towards an extended microscopic theory for upper-fp shell nuclei / K. P. Drumev. Properties of the Zr and Pb isotopes near the drip-line / V. N. Tarasov ... [et al.]. Identification of high spin states in [symbol] Cs nuclei and shell model calculations / K. Li ... [et al.]. Recent measurements of spherical and deformed isomers using the Lohengrin fission-fragment spectrometer / G. S. Simpson ... [et al.] -- Nuclear structure II. Nuclear structure investigation with rare isotope spectroscopic investigations at GSI / P. Boutachkov. Exploring the evolution of the shell structures by means of deep inelastic reactions / G. de Anaelis. Probing shell closures in neutron-rich nuclei / R. Krücken for the S277 and REX-ISOLDEMINIBALL collaborations. Structure of Fe isotopes at the limits of the pf-shell / N. Hoteling ... [et al.]. Spectroscopy of K isomers in shell-stabilized trans-fermium nuclei / S. K. Tandel ... [et al.] -- Radioactive ion beam facilities. SPIRAL2 at GANIL: a world leading ISOL facility for the next decade / S. Gales. New physics at the International Facility for Antiproton and Ion Research (FAIR) next to GSI / I. Augustin ... [et al.]. Radioactive beams from a high powered ISOL system / A. C. Shotter. RlKEN RT beam factory / T. Motobayashi. NSCL - ongoing activities and future perspectives / C. K. Gelbke. Rare isotope beams at Argonne / W. F. Henning. HRIBF: scientific highlights and future prospects / J. R. Beene. Radioactive ion beam research done in Dubna / G. M. Ter-Akopian ... [et al.] -- Fission I
Fission properties of the BCPM energy-density functional
International Nuclear Information System (INIS)
Fission dynamics properties of the Barcelona-Catania-Paris-Madrid energy density functional are explored with mean-field techniques. Potential energy surfaces as well as collective inertia relevant in the fission process are computed for several nuclei where experimental data exist. Inner and outer barrier heights as well as fission isomer excitation energies are reproduced quite well in all the cases. The spontaneous fission half-lives tsf are also computed using the standard semiclassical approach and the results are compared with the experimental data. The experimental trend with mass number is reasonably well reproduced over a range of 27 orders of magnitude. However, the theoretical predictions suffer from large uncertainties when the quantities that enter the spontaneous fission half-life formula are varied. Modifications of only a few per cent in the pairing correlation strengths strongly modify the collective inertia with a large impact on the spontaneous fission lifetimes in all the nuclei considered. Encouraged by the quite satisfactory description of the trend of fission properties with mass number, we explore the fission properties of the even-even uranium isotope chain from 226U to 282U. Very large lifetimes are found beyond A = 256 with a peak at neutron number N = 184.
FISPRO: a simplified computer program for general fission product formation and decay calculations
International Nuclear Information System (INIS)
This report describes a computer program that solves a general form of the fission product formation and decay equations over given time steps for arbitrary decay chains composed of up to three nuclides. All fission product data and operational history data are input through user-defined input files. The program is very useful in the calculation of fission product activities of specific nuclides for various reactor operational histories and accident consequence calculations
The Criticality Calculation Of Fission Yield Of U-235 Solution And Its Radiation Dose
International Nuclear Information System (INIS)
The calculation assesment of fission yield of U-235 solution in the extraction and evaporation units has been performed for the prediction of that when the criticality accident occurs in the production of fuel element for the research reactor. The Grover Tuck and fission distribution probability methods are used in this case. The calculation result using the fission distribution probability methods show the fission of 2,7 x 1018 for the uranium concentration of 200 grams/litre and that of 2,5 x 1018 fissions for U of 40 grams/litre in the extraction unit. The calculation results from the evaporation unit revealed the fission of 3,1 x 1018 for 400 grams/litre uranium and 1,77 x 1018 fissions for 80 grams/litre uranium. Using the Grover Tuck calculation method give results that 8,267 x 1017 fissions and 2,878 x 1017 fissions respectively. Radiation dose of 200 gram/litre solution is about 1450,29 Rad for neutron and 4785,96 Rad for gamma ray
Preliminary calculations of medium-energy fission cross sections and spectra
International Nuclear Information System (INIS)
Nucleon-induced fission cross sections determined from a statistical preequilibrium model are used in conjunction with a new scission-point model of fission fragment mass, charge and excitation energy distributions to produce evaporation model calculations of particle and gamma spectra and multiplicities from fission. Comparisons are made to experiment for the 14.5-MeV neutron-induced fission of 238U. In addition, calculated particle and gamma spectra will be compared with the ENDF/B library for 2- and 5-MeV neutron-induced fission of 235U and 238U, respectively. Initial predictions for these same quantities for proton-induced fission reactions at energies up to 100 MeV will be presented and discussed. 6 refs., 3 figs
Experimental studies of fission properties utilized in reactor design
International Nuclear Information System (INIS)
Experimental studies of fission properties utilized in reactor design. A programme of experimental studies of fission parameters useful in reactor design is described including the following: (a) The periods and yields of delayed-neutron groups emitted following the neutron-induced fission of Pu241 are measured. Evidence for systematic isotopic dependence of delayed-neutron yields is presented. An experimental investigation of the relation between the time behaviour of delayed-neutron emission and the energy of the incident neutron inducing fission is described. (b) The cross-section for the inducing, of fission in Am243, Pu242 and Pu241 with neutrons in the energy range 0.030 to 1.8 MeV is measured. Emphasis is placed upon the detailed dependence of the fission cross-section on the incident-neutron energy. The absolute values of the cross-sections are given to a precision of ∼25%. (c) Detailed results of a measurement of the Pu241 fission-neutron spectrum are given, including the spectral shape and average fission-neutron energy. Techniques and methods of measuring prompt-fission-neutron spectra are described. (d) The dependence of #-v# (the average number of neutrons emitted per fission) of U235 on the incident neutron energy is measured from 100 keV to 1.6 MeV. #-v# of U238 and other fissile isotopes is compared to #-v# of U235 (thermal). The relative precision of the measurements is #>approx#1.2%. (author)
Chen, Yong-Jing; Min, Jia; Liu, Ting-Jin; Shu, Neng-Chuan
2013-01-01
The prompt fission neutron spectra for neutron-induced fission of 233U for low energy neutrons (below 6 MeV) are calculated using the nuclear evaporation theory with a semi-empirical method, in which the partition of the total excitation energy between the fission fragments for the nth+233U fission reactions are determined with the available experimental and evaluation data. The calculated prompt fission neutron spectra agree well with the experimental data. The proportions of high- energy ou...
International Nuclear Information System (INIS)
To check the data of carbon material reflecting neutrons, the distribution of 238U fission reaction rates induced by D-T fusion neutrons reflected by carbon material was measured by using the small depleted uranium fission chamber and the capturing detector. For comparison, 238U fission rates without carbon material was measured too. The combined standard uncertainty of 238U fission reaction rate is 5.1%-6.4%. The measured results are consistent with the calculated ones with MCNP/4A code and ENDF/B-IV library data in the range of the error
Calculation of Prompt Fission Neutron Spectra for ~(235)U (n,f)
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
The prompt fission neutron spectra for neutron-induced fission of 235U at En<5 MeV are calculated using the nuclear evaporation theory with a semi-empirical model, in which the non-constant temperature and the constant temperature related to the Fermi gas model
Pion-Induced Fission of 209Bi and 119Sn:. Measurements, Calculations, Analyses and Comparison
Rana, Mukhtar Ahmed; Sher, Gul; Manzoor, Shahid; Shehzad, M. I.
Cross-sections for the π--induced fission of 209Bi and 119Sn have been measured using the most sensitive CR-39 solid-state nuclear track detector. In experiments, target-detector stacks were exposed to negative pions of energy 500, 672, 1068, and 1665 MeV at the Brookhaven National Laboratory, USA. An important aspect of the present paper is the comparison of pion-induced fission fragment spectra of above mentioned nuclei with the spontaneous fission fragment spectra of 252Cf. This comparison is made in terms of fission fragment track lengths in the CR-39 detectors. Measurement results are compared with calculations of Monte Carlo and statistical weight functions methods using the computer code CEM95. Agreement between measurements and calculations is fairly good for 209Bi target nuclei whereas it is indigent for the case of 119Sn. The possibilities of the trustworthy calculations, using the computer code CEM95, comparable with measurements of pion-induced fission in intermediate and heavy nuclei are explored by employing various systematics available in the code. Energy dependence of pion-induced fission in 119Sn and 209Bi is analyzed employing a newly defined parameter geometric-size-normalized fission cross-section (χfg). It is found that the collective nuclear excitations, which may lead to fission, become more probable for both 209Bi and 119Sn nuclei with increasing energy of negative pions from 500 to 1665 MeV.
Schmidt K.-H; Jurado B.
2010-01-01
A new model description of fission-fragment yields and prompt neutron emission is developed. The yields of the different fission channels and their properties are attributed to the number of relevant states above the potential-energy landscape on the fission path at the moment of dynamical freeze-out, which is specific to the collective coordinate considered. The model combines well established ideas with novel concepts. The separability principle of macroscopic properties of the compound nuc...
An investigation of fission models for high-energy radiation transport calculations
International Nuclear Information System (INIS)
An investigation of high-energy fission models for use in the HETC code has been made. The validation work has been directed checking the accuracy of the high-energy radiation transport computer code HETC to investigate the appropriate model for routine calculations, particularly for spallation neutron source applications. Model calculations are given in terms of neutron production, fission fragment energy release, and residual nuclei production for high-energy protons incident on thin uranium targets. The effect of the fission models on neutron production from thick uranium targets is also shown. (orig.)
Directory of Open Access Journals (Sweden)
Porta A.
2016-01-01
Full Text Available Beta decay of fission products is at the origin of decay heat and antineutrino emission in nuclear reactors. Decay heat represents about 7% of the reactor power during operation and strongly impacts reactor safety. Reactor antineutrino detection is used in several fundamental neutrino physics experiments and it can also be used for reactor monitoring and non-proliferation purposes. 92,93Rb are two fission products of importance in reactor antineutrino spectra and decay heat, but their β-decay properties are not well known. New measurements of 92,93Rb β-decay properties have been performed at the IGISOL facility (Jyväskylä, Finland using Total Absorption Spectroscopy (TAS. TAS is complementary to techniques based on Germanium detectors. It implies the use of a calorimeter to measure the total gamma intensity de-exciting each level in the daughter nucleus providing a direct measurement of the beta feeding. In these proceedings we present preliminary results for 93Rb, our measured beta feedings for 92Rb and we show the impact of these results on reactor antineutrino spectra and decay heat calculations.
Porta, A.; Zakari-Issoufou, A.-A.; Fallot, M.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Bui, V. M.; Cormon, S.; Estienne, M.; Agramunt, J.; Äystö, J.; Bowry, M.; Briz, J. A.; Caballero-Folch, R.; Cano-Ott, D.; Cucouanes, A.; Elomaa, V.-V.; Eronen, T.; Estévez, E.; Farrelly, G. F.; Garcia, A. R.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Karvonen, P.; Kolhinen, V. S.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez-Cerdán, A. B.; Podolyák, Zs.; Penttilä, H.; Regan, P. H.; Reponen, M.; Rissanen, J.; Rubio, B.; Shiba, T.; Sonzogni, A. A.; Weber, C.
2016-03-01
Beta decay of fission products is at the origin of decay heat and antineutrino emission in nuclear reactors. Decay heat represents about 7% of the reactor power during operation and strongly impacts reactor safety. Reactor antineutrino detection is used in several fundamental neutrino physics experiments and it can also be used for reactor monitoring and non-proliferation purposes. 92,93Rb are two fission products of importance in reactor antineutrino spectra and decay heat, but their β-decay properties are not well known. New measurements of 92,93Rb β-decay properties have been performed at the IGISOL facility (Jyväskylä, Finland) using Total Absorption Spectroscopy (TAS). TAS is complementary to techniques based on Germanium detectors. It implies the use of a calorimeter to measure the total gamma intensity de-exciting each level in the daughter nucleus providing a direct measurement of the beta feeding. In these proceedings we present preliminary results for 93Rb, our measured beta feedings for 92Rb and we show the impact of these results on reactor antineutrino spectra and decay heat calculations.
Effect of Fission Fragments on the Properties of UO2 Fuel of Pressurized Water Reactors
International Nuclear Information System (INIS)
The effect of Xenon (Xe) and (Sr) Strontium fission fragments on the properties of UO2 fuel of pressurized water reactors has been evaluated us ing SRIM-2010 program. The released fission products being highly energetic with different masses, different phase states, and carry different charges cause ionization of the fuel from the surface up to the maximum range with the formation of electron-hole pairs. When the kinetic energy falls below the displacement energy of U and O atoms phonon production takes place. The collision of energetic fission products with the fuel results in the creation of recoil-vacancy pairs. The uranium and oxygen recoils re leased during the collision process changes the oxygen to uranium ratio of the UO2 matrix. The fission fragments as well as the recoils reside in interstitial positions in the structure of UO2 fuel with the result in increasing the internal stresses. The magnitude of damage introduced in the fuel is calculated on the bases of the fission rate of 4% enriched UO2. The released fission fragments and recoils as well as the increase in the fuel temperatures cause swelling of the fuel, increase fuel-clad interaction
Fission product inventory calculation by a CASMO/ORIGEN coupling program
International Nuclear Information System (INIS)
A CASMO/ORIGEN coupling utility program was developed to predict the composition of all the fission products in spent PWR fuels. The coupling program reads the CASMO output file, modifies the ORIGEN cross section library and reconstructs the ORIGEN input file at each depletion step. In ORIGEN, the burnup equation is solved for actinides and fission products based on the fission reaction rates and depletion flux of CASMO. A sample calculation has been performed using a 14 x 14 PWR fuel assembly and the results are given in this paper
Fission product inventory calculation by a CASMO/ORIGEN coupling program
Energy Technology Data Exchange (ETDEWEB)
Kim, Do Heon; Kim, Jong Kyung [Hanyang University, Seoul (Korea, Republic of); Choi, Hang Bok; Roh, Gyu Hong; Jung, In Ha [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)
1997-12-31
A CASMO/ORIGEN coupling utility program was developed to predict the composition of all the fission products in spent PWR fuels. The coupling program reads the CASMO output file, modifies the ORIGEN cross section library and reconstructs the ORIGEN input file at each depletion step. In ORIGEN, the burnup equation is solved for actinides and fission products based on the fission reaction rates and depletion flux of CASMO. A sample calculation has been performed using a 14 x 14 PWR fuel assembly and the results are given in this paper. 3 refs., 1 fig., 1 tab. (Author)
Calculation of prompt fission neutron spectra for 235U(n,f)
Institute of Scientific and Technical Information of China (English)
CHEN Yong-Jing; JIA Min; TAO Xi; QIAN Jing; LIU Ting-Jin; SHU Neng-Chuan
2012-01-01
The prompt fission neutron spectra for the neutron-induced fission of 235U at En ＜ 5 MeV are calculated using nuclear evaporation theory with a semi-empirical model,in which the nonconstant and constant temperatures related to the Fermi gas model are taken into account. The calculated prompt fission neutron spectra reproduce the experimental data well.For the n(thermal)+235U reaction,the average nuclear temperature of the fission fragment,and the probability distribution of the nuclear temperature,are discussed and compared with the Los Alamos model.The energy carried away by γ rays emitted from each fragment is also obtained and the results are in good agreement with the existing experimental data.
International Nuclear Information System (INIS)
Yield-weighted average cross sections of neutron radiative capture, (n,2n), and (n,3n) reactions over prompt fission products (FPs) from 235U and 239Pu are calculated. The prompt fission production yields are taken from the ENDF/B-VII.0 library. The FPs for each fissile material exist over a range of approximately 1000 neutron-rich nuclides. Several nuclear reaction codes are utilized for calculating the cross sections on each individual fission product - EMPIRE-2.19, TALYS-1.0, GNASH, and CoH. The influence of the FP isomers on the average cross sections is examined with TALYS. We investigate the dependence of the average cross sections on the number of FPs taken for averaging. It is shown that the average capture cross section is much more sensitive to the number of FPs included, compared with the (n,2n) and (n,3n) reactions. An intercomparison of the calculated cross sections with the different reaction codes is carried out. In the capture reaction, EMPIRE predicted lower cross section than TALYS and CoH owing to different default assumptions used in the γ-ray strength function modeling. Moreover, the pre-equilibrium models implemented in each code give different predictions for the neutron-emission reactions, although the differences are relatively small. We also discuss a difference between the macroscopic and microscopic calculation options in TALYS for the pre-equilibrium model, optical potential model, and γ-ray strength function. The predictive capability of the reaction codes for the capture reaction is examined by comparing their calculations with the ENDF data, which are based on measurements. Compared with the historic Foster and Arthur's evaluation, our new (n,2n) predictions are similar, although our capture predictions are almost an order of magnitude higher. Recommended cross sections for use in applications have been tabulated in ENDF-formatted files. (author)
International Nuclear Information System (INIS)
The different types of ionizing radiation accompanying fission and mixtures of fission products, their activity, the determination of the age of fission products and the biological hazard of radiation caused by instantaneous fission are described. The possibility is described of detection, and of the dosimetry of ionizing radiation resulting from instantaneous fission and emitted by a mixture of fission products, the determination of the dose of neutron radiation, surface contamination, internal contamination and the contamination of water and foods. (J.P.)
Augmentation of ENDF/B fission product gamma-ray spectra by calculated spectra
International Nuclear Information System (INIS)
Gamma-ray spectral data of the ENDF/B-V fission product decay data file have been augmented by calculated spectra. The calculations were performed with a model using beta strength functions and cascade gamma-ray transitions. The calculated spectra were applied to individual fission product nuclides. Comparisons with several hundred measured aggregate gamma spectra after fission were performed to confirm the applicability of the calculated spectra. The augmentation was extended to a preliminary ENDF/B-VI file, and to beta spectra. Appendix C provides information on the total decay energies for individual products and some comparisons of measured and aggregate values based on the preliminary ENDF/B-VI files. 15 refs., 411 figs
235U fission product gamma spectra: a comparison between experiment and calculation
International Nuclear Information System (INIS)
Recent measurements of 235U fission product gamma spectra (ORNL), after reduction to a broad group structure, were compared with results of corresponding summation calculations which were made with the UKFPDD-1 fission product data base. In order to facilitate convenient integration of the summation results, weighted sums of decaying exponentials were accurately fitted to them using an iterative least-squares method described. The comparisons between experiment and calculation reveal significant deficiencies in data for short-lived nuclides which prevent the accurate calculation of short-term ( 5 MeV are also examined briefly and possible causes for them are discussed. (author)
Fission source convergence of Monte Carlo criticality calculations in weakly coupled fissile arrays
International Nuclear Information System (INIS)
Anomalous fission source convergence in a Monte Carlo criticality calculation for a weakly coupled array of two fissile material units are demonstrated. Introducing coupling coefficients among array units, it is quantitatively explained that this anomaly is caused by an insufficient restoring force to the true distribution and its large statistical uncertainty, especially, in a symmetric system. A new approach for estimating the fission source intensity ratio in an array is proposed by obtaining the eigenvector of a coupling coefficient matrix. This method also gives the uncertainty of the ratio as well as the ratio, which is available for evaluating the accuracy of the obtained ratio. The correlation between a calculated keff and the fission source intensity ratio is formulated. It is illustrated theoretically and empirically that there is no significant correlation in a symmetric two-unit array system. In general, care should be taken that a calculated keff may be biased by an incorrect fission source distribution, especially, in a slightly asymmetric system. A regionwise weight adjustment method is developed such that the fission source intensity ratio is forced to converge to a predetermined ratio. Using this method, a satisfactory convergence can be achieved. A larger number of neutrons per generation is recommended for a Monte Carlo criticality calculation of a weakly coupled array of units. (author)
International Nuclear Information System (INIS)
Recently, direct measurements of fission cross-sections for 233Pa (n, f) reaction are available which stimulated the calculation of fission cross-sections for this reaction. For this calculation we have derived an analytical barrier formula based on microscopic-macroscopic description by fitting the actinide fission barrier data for the double humped barrier. Pairing effects have also been taken into account. The cross sections calculated for using the analytical barrier formula with the code EMPIRE 2.19 give better agreement with the available measurements. (author)
Calculated leaching of certain fission products from a cylinder of French glass
International Nuclear Information System (INIS)
The probable total leaching of the most important fission products and actinides have been tabulated for a cylinder of French HLW glass with approximately 9 percent fission products. The calculations cover the period between 30 and 10000 years after removal from the reactor. The cylinder is of the type planned for the introduction of the HLW into Swedish crystalline rocks. All the components are supposed to have the same leach rate. The calculations also include the probable thickness of eroded glass layer/year. (author)
Evaluation of fission product worth margins in PWR spent nuclear fuel burnup credit calculations
International Nuclear Information System (INIS)
Current criticality safety calculations for the transportation of irradiated LWR fuel make the very conservative assumption that the fuel is fresh. This results in a very substantial overprediction of the actual keff of the transportation casks; in certain cases, this decreases the amount of spent fuel which can be loaded in a cask, and increases the cost of transporting the spent fuel to the repository. Accounting for the change of reactivity due to fuel depletion is usually referred to as ''burnup credit.'' The US DOE is currently funding a program aimed at establishing an actinide only burnup credit methodology (in this case, the calculated reactivity takes into account the buildup or depletion of a limited number of actinides). This work is undergoing NRC review. While this methodology is being validated on a significant experimental basis, it implicitly relies on additional margins: in particular, the absorption of neutrons by certain actinides and by all fission products is not taken into account. This provides an important additional margin and helps guarantee that the methodology is conservative provided these neglected absorption are known with reasonable accuracy. This report establishes the accuracy of fission product absorption rate calculations: (1) the analysis of European fission product worth experiments demonstrates that fission product cross-sections available in the US provide very good predictions of fission product worth; (2) this is confirmed by a direct comparison of European and US cross section evaluations; (3) accuracy of Spent Nuclear Fuel (SNF) fission product content predictions is established in a recent ORNL report where several SNF isotopic assays are analyzed; and (4) these data are then combined to establish in a conservative manner the fraction of the predicted total fission product absorption which can be guaranteed based on available experimental data
Methodology for fission product release calculations during an ACR-1000 end-fitting failure event
International Nuclear Information System (INIS)
The ACR-1000® reactor enhances and retains the proven features of the CANDU® design such as the concept of the horizontal fuel channel core. At each end of a fuel channel, there is an end-fitting incorporating a feeder connection through which pressurized coolant enters and leaves the fuel channel, where 12 fuel bundles are inserted. The safety analysis cases include postulated end-fitting failure events to assess the fission product releases from all fuel bundles which would be ejected out of the channel and oxidized in the air-steam environment under decay power. This paper presents the methodology used in assessing the fuel behaviour and the fission product releases during a postulated end-fitting failure in an ACR-1000 reactor. After the end-fitting failure, the 12 fuel bundles are ejected out of the channel and drop onto the fuelling machine vault floor. The fuel bundles are likely heavily damaged by impact and would break into small clusters of elements or fragments. To calculate the fission product releases from an individual fragment, the transient fuel temperature is numerically solved by differential heat equations; the air oxidation model is chosen for the event accordingly; and the fission product inventory and releases are estimated by computer codes ORIGEN-S, CATHENA, ELESTRES and SOURCE-IST. Finally, the total fission product releases from all fragments into containment are calculated. This methodology has been developed for ACR-1000 safety analysis, which is also applicable to CANDU. With the new methodology, the transient releases from up to 150 fission products can be estimated as detail as in fragment. In this paper, a sample calculation is also provided to show the application of the methodology in ACR-1000 safety analysis for end-fitting failure. (author)
Sonzogni, A. A.; McCutchan, E. A.; Johnson, T. D.; Dimitriou, P.
2016-04-01
Fission yields form an integral part of the prediction of antineutrino spectra generated by nuclear reactors, but little attention has been paid to the quality and reliability of the data used in current calculations. Following a critical review of the thermal and fast ENDF/B-VII.1 235U 235 fission yields, deficiencies are identified and improved yields are obtained, based on corrections of erroneous yields, consistency between decay and fission yield data, and updated isomeric ratios. These corrected yields are used to calculate antineutrino spectra using the summation method. An anomalous value for the thermal fission yield of 86Ge generates an excess of antineutrinos at 5-7 MeV, a feature which is no longer present when the corrected yields are used. Thermal spectra calculated with two distinct fission yield libraries (corrected ENDF/B and JEFF) differ by up to 6% in the 0-7 MeV energy window, allowing for a basic estimate of the uncertainty involved in the fission yield component of summation calculations. Finally, the fast neutron antineutrino spectrum is calculated, which at the moment can only be obtained with the summation method and may be relevant for short baseline reactor experiments using highly enriched uranium fuel.
Sonzogni, A A; McCutchan, E A; Johnson, T D; Dimitriou, P
2016-04-01
Fission yields form an integral part of the prediction of antineutrino spectra generated by nuclear reactors, but little attention has been paid to the quality and reliability of the data used in current calculations. Following a critical review of the thermal and fast ENDF/B-VII.1 ^{235}U fission yields, deficiencies are identified and improved yields are obtained, based on corrections of erroneous yields, consistency between decay and fission yield data, and updated isomeric ratios. These corrected yields are used to calculate antineutrino spectra using the summation method. An anomalous value for the thermal fission yield of ^{86}Ge generates an excess of antineutrinos at 5-7 MeV, a feature which is no longer present when the corrected yields are used. Thermal spectra calculated with two distinct fission yield libraries (corrected ENDF/B and JEFF) differ by up to 6% in the 0-7 MeV energy window, allowing for a basic estimate of the uncertainty involved in the fission yield component of summation calculations. Finally, the fast neutron antineutrino spectrum is calculated, which at the moment can only be obtained with the summation method and may be relevant for short baseline reactor experiments using highly enriched uranium fuel. PMID:27081973
Fission gas activities in the fuel-to-clad gap calculated with the code FUROM
International Nuclear Information System (INIS)
The fuel behaviour code FUROM (FUel ROd Model) has been in use and under improvement for several years at the Hungarian Academy of Sciences KFKI Atomic Energy Research Institute. Several new features are added to it each year. In the present paper an extended fission gas release model is introduced. This model is suitable for the calculation of the release of not only stable but also radioactive isotopes. Code calculations are compared to international results. (authors)
Measurement and calculation of the 233Pa fission cross-section for advanced fuel cycles
International Nuclear Information System (INIS)
The energy dependence of the neutron-induced fission cross-section of 233Pa has been measured directly for the first time from the fission threshold up to 8.5 MeV. This fission cross-section is a key ingredient in feasibility studies on fast reactors and accelerator driven systems based on the Th-U fuel cycle. The results are at strong variance with the existing evaluations. The new experimental data give lower cross-section values and resolve the question about the threshold energy. Additionally a new theoretical calculation of the reaction cross-section has been performed with the statistical model code STATIS, showing a very good agreement with the experimental data. (authors)
Thermal Fission Rate Calculated Numerically by Particles Multi-passing over Saddle Point
Institute of Scientific and Technical Information of China (English)
LIU Ling; BAO Jing-Dong
2004-01-01
Langevin simulation of the particles multi-passing over the saddle point is proposed to calculate thermal fission rate. Due to finite friction and the corresponding thermal fluctuation, a backstreaming exists in the process of the particle descent from the saddle to the scission. This leads to that the diffusion behind the saddle point has influence upon the stationary flow across the saddle point. A dynamical correction factor, as a ratio of the flows of multi- and firstoverpassing the saddle point, is evaluated analytically. The results show that the fission rate calculated by the particles multi-passing over the saddle point is lower than the one calculated by the particle firstly passing over the saddle point,and the former approaches the results at the scission point.
Measured and calculated fission-product poisoning in neutron-irradiated uranium-233
International Nuclear Information System (INIS)
Samples of 233U and of natural thorium have been irradiated in high neutron-flux facilities, in both soft and hard neutron spectra, and for both short and long exposure times. Included are exposures resulting in depletions of more than 90 percent of the 233U in the fissile material and burnups of more than 30,000 MWd/MT in the fertile material. Fission-product poison cross sections in two energy groups (thermal and epithermal) exhibit differences between measurement and calculation that are believed to be attributable to a lack of adequate information on important fission products in the literature. Experimental results for transient absorbers in irradiated 233U give at least 20,000 b for the neutron absorption resonance integral of 149Pm. This is a factor of 15 higher than that obtained by a 1/v extrapolation of the thermal cross sections. For transient 135Xe, the measured absorption is 7.5 percent higher than that calculated using ENDF/B-IV data. Information is also provided concerning such matters as fission yields and neutron absorption of neodymium isotopes, the existence of significant transient fission-product poisons other than 135Xe and 149Sm, and the shielding of 233U by 232Th. Such shielding suggests the need for a change in the energy dependence of the 232Th thermal-neutron cross section
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Schmidt K.-H.
2010-10-01
Full Text Available A new model description of fission-fragment yields and prompt neutron emission is developed. The yields of the different fission channels and their properties are attributed to the number of relevant states above the potential-energy landscape on the fission path at the moment of dynamical freeze-out, which is specific to the collective coordinate considered. The model combines well established ideas with novel concepts. The separability principle of macroscopic properties of the compound nucleus and microscopic properties of the fragments strongly reduces the number of model parameters and assures a high predictive power. The recently discovered energy-sorting mechanism in superfluid nuclear dynamics determines the sharing of intrinsic excitation energy at scission and the enhancement of even-odd structure in asymmetric splits.
A simple method for evaluation of uncertainties in fission product decay heat summation calculations
International Nuclear Information System (INIS)
The present precision of nuclear data for the aggregate decay heat evaluation is analyzed quantitatively for 50 fissioning systems. In the practical calculation, a simple approximate method is proposed in order to avoid complication of the calculation and to point out easily the main causal nuclei of the uncertainties in decay heat calculations. As for the independent yield, the correlation among the values is taken into account. For this evaluation, nuclear data and their uncertainty data are taken from ENDF/B-VI nuclear data library. (author)
Calculation of the fast multiplication factor by the fission matrix method
International Nuclear Information System (INIS)
A variation of the Monte Carlo method to calculate an effective breeding factor of a nuclear reactor is described. The evaluation procedure of reactivity perturbations by the Monte Carlo method in the first order perturbation theory is considered. The method consists in reducing an integral neutron transport equation to a set of linear algebraic equations. The coefficients of this set are elements of a fission matrix. The fission matrix being a Grin function of the neutron transport equation, is evaluated by the Monte Carlo method. In the program realizing the suggested algorithm, the game for initial neutron energy of a fission spectrum and then for the region of neutron birth, ΔVsub(f)sup(i)has been played in proportion to the product of Σsub(f)sup(i)ΔVsub(f)sup(i), where Σsub(f)sup(i) is a macroscopic cross section in the region numbered at the birth energy. Further iterations of a space distribution of neutrons in the system are performed by the generation method. In the adopted scheme of simulation of neutron histories the emission of secondary neutrons is controlled by weights; it occurs at every collision and not only in the end on the history. The breeding factor is calculated simultaneously with the space distribution of neutron worth in the system relative to the fission process and neutron flux. Efficiency of the described procedure has been tested on the calculation of the breeding factor for the Godiva assembly, simulating a fast reactor with a hard spectrum. A high accuracy of calculations at moderate number of zones in the core and reasonable statistics has been stated
International Nuclear Information System (INIS)
Improving the prediction of radiation parameters and reliability of fuel behaviour under different irradiation modes is particularly relevant for new fuel compositions, including recycled nuclear fuel. For fast reactors there is a strong dependence of nuclide accumulations on the nuclear data libraries. The effect of fission yield libraries on irradiated fuel is studied in MONTEBURNS-MCNP5-ORIGEN2 calculations of sodium fast reactors. Fission yield libraries are generated for sodium fast reactors with MOX fuel, using ENDF/B-VII.0, JEFF3.1, original library FY-Koldobsky, and GEFY 3.3 as sources. The transport libraries are generated from ENDF/B-VII.0 and JEFF-3.1. Analysis of irradiated MOX fuel using different fission yield libraries demonstrates the considerable spread in concentrations of fission products. The discrepancies in concentrations of inert gases being ∼25%, up to 5 times for stable and long-life nuclides, and up to 10 orders of magnitude for short-lived nuclides. (authors)
Scission-point configurations in ternary fission of 252Cf from trajectory calculations
International Nuclear Information System (INIS)
Trajectory calculations have been carried out in a three-point- charge model for the case of spontaneous ternary fission of 252Cf with a view to obtain the initial parameters characterizing the scission configuration. Without any a priori assumptions regarding the distribution of the points of emission of the α particle and the fragment velocity at the time of scission, the values of the initial parameters were obtained by fitting the observed energy distributions by making use of the method of multivariate analysis. It was found that there exist two points of α particle emission, nearer to either of the two fragments and off the axis joining the fragment centers, which reproduce the experijmental distributions equally well. This result does not support the often made assumption that the point of α particle emission coincides with the potential energy minimum on the line joining the fragment centers. With the initial parameters thus obtained, an inverse Monte Carlo calculation was carried out to obtain various correlations between the final values of the energy and the angle of emission of the α particle and the fission fragment kinetic energy. The calculated results agree well with the experiments. The implication of present results on the emission mechanism of the α particle in ternary fission is discussed
Properties of fission fragments for Z =112 -116 superheavy nuclei
Kaur, Gurjit; Sandhu, Kirandeep; Sharma, Manoj K.
2016-07-01
The dynamical cluster decay model (DCM) is applied to understand the dynamics of 48Ca+238U,244Pu,248Cm reactions at comparable excitation energies across the barrier. To understand the capture stage of *286112 ,*292114 , and *296116 nuclei, the compound nucleus formation probability is calculated. The indication of PC Nprocess such as quasifission may occur at the capture stage of the 48Ca induced reactions. To understand this further, the comparative decay analysis of *286112 ,*292114 and *296116 , nuclei is carried out using β2 i deformations within hot optimum orientation criteria, and the calculated fission cross sections find nice agreement with available data. The fission mass distribution shows a double humped structure where a symmetric peak observed around the Sn region appears to find its genesis in a symmetric quasifission component. On the other hand, the emergence of peaks around Pb in the decay of Z =112 , 114, and 116 nuclei signify the possible presence of asymmetric quasifission. Higher and broader asymmetric quasifission peaks are observed for *296116 and *292114 nuclei as compared to *286112 nucleus. Beside this, the total kinetic energy (TKE) distribution of the decay fragments is also explored by using different proximity potentials, such as Prox-77, Prox-88, and Prox-00. Prox-88 seems to perform better and the calculated TKE values find relatively better comparison at lower angular momentum states. The possible role of different radii of the decaying nuclei is also exercised to understand the TKE ¯ dynamics of 48Ca+238U,244Pu,248Cm reactions.
Barber, Duncan Henry
During some postulated accidents at nuclear power stations, fuel cooling may be impaired. In such cases, the fuel heats up and the subsequent increased fission-gas release from the fuel to the gap may result in fuel sheath failure. After fuel sheath failure, the barrier between the coolant and the fuel pellets is lost or impaired, gases and vapours from the fuel-to-sheath gap and other open voids in the fuel pellets can be vented. Gases and steam from the coolant can enter the broken fuel sheath and interact with the fuel pellet surfaces and the fission-product inclusion on the fuel surface (including material at the surface of the fuel matrix). The chemistry of this interaction is an important mechanism to model in order to assess fission-product releases from fuel. Starting in 1995, the computer program SOURCE 2.0 was developed by the Canadian nuclear industry to model fission-product release from fuel during such accidents. SOURCE 2.0 has employed an early thermochemical model of irradiated uranium dioxide fuel developed at the Royal Military College of Canada. To overcome the limitations of computers of that time, the implementation of the RMC model employed lookup tables to pre-calculated equilibrium conditions. In the intervening years, the RMC model has been improved, the power of computers has increased significantly, and thermodynamic subroutine libraries have become available. This thesis is the result of extensive work based on these three factors. A prototype computer program (referred to as SC11) has been developed that uses a thermodynamic subroutine library to calculate thermodynamic equilibria using Gibbs energy minimization. The Gibbs energy minimization requires the system temperature (T) and pressure (P), and the inventory of chemical elements (n) in the system. In order to calculate the inventory of chemical elements in the fuel, the list of nuclides and nuclear isomers modelled in SC11 had to be expanded from the list used by SOURCE 2.0. A
Calculation of the decay power of fission products considering neutron capture transformation
International Nuclear Information System (INIS)
The decay power of fission products has been calculated taking into consideration the neutron capture transformation of each nuclide and its beta decay. The nuclear data library contains 1114 nuclides of which 144 are stable. Neutron capture transformation is considered for 59 nuclides, 31 of which are stable. The atom number of each nuclide is calculated analytically with code DCHAIN. The effect of neutron capture transformation in the decay power of fission products was examined by varying the neutron spectrum, neutron flux, fissioning nuclide, and irradiation and cooling time. From the results obtained the following were revealed: The effect of neutron capture increases with neutron flux and irradiation time, and it becomes salient beyond 105 sec in cooling time. It is small for less than the 104 sec which is important in the design of ECCS (emergency core cooling system) of a light-water reactor. In this region the decay power changes are small, less than 0.2%, by the neutron capture for the thermal fission of 235U irradiated for one year to thermal neutron flux 3 x 1013 n/cm2/sec. The effect of neutron capture has peaks around cooling time 106 sec and 108 sec; it is negligible beyond 109 sec. The changes in decay power are 2.4%, 10.5% and 0.2% at cooling time 106 sec, 108 sec and 109 sec, respectively, in the above irradiation. Around 106 sec, the change in decay power is mainly from the contributions of 134Cs (17%), sup(148m)Pm(60%) and 148Pm(14%). Around 108 sec 134Cs(98%) alone contributes to the change in decay power. (author)
Contribution to decay heat calculation: fission product mean beta and gamma assessment
International Nuclear Information System (INIS)
Following a reactor shutdown, after the fission chain process has completely faded out, a significant quantity of energy (around seven per cent of the total power of the reactor) continues to be generated in the core. This is known as residual power or decay heat. The principal source of this energy is due to the radioactive decay of fission products and is at any time equal to the sum of the powers released by these different nuclei (P = Σ = Pi). Each of the powers Pi is the product of three terms: the concentration of the relevant nuclide, its decay constant and its mean decay energy. The evaluation of the first two term is straightforward. On the other hand the evaluation of the mean energies presents some difficulties due to a lack of data in beta and gamma spectra of some fission products. This study intends, after a critical analysis of the current method of evaluation of the mean energies, to propose a new model for this calculation. The new model tested on several well known nuclides, has been proved correct and precise. It has then been applied to approximatively sixty nuclides among the lesser known ones. The results obtained have lead to a better prediction of both beta and gamma ray components of the residual power. Consequently, this new model, which allows to take into account the lack of beta branching ratio corresponding to the highest levels of the product nucleus in the beta decay reaction, can be adopted to replace the current method, for calculation of the mean energies of fission products, especially in the case of the lesser known nuclides
International Nuclear Information System (INIS)
The thermo-mechanical analysis of fuel bundle is done using FUDA software program to calculate the fission gas release and pin pressure. The fission gas release analysis was done for the average fuel dimensions. In addition, a parametric study was also performed by varying the different parameters within their specified tolerances. The thermal conductivity calculation in the present analysis accounts for the density changes and temperature variation. The feed back of gap conductance change due to fission gas accumulation in pellet clad gap is considered in fuel temperature calculations. The present paper discusses the inputs to the FUDA, mathematical model used in calculation of fission gas release and results of gas release from the FUDA runs for the above discussed analysis. (author)
International Nuclear Information System (INIS)
We present fission-barrier-height calculations for nuclei throughout the periodic system based on a realistic theoretical model of the multi-dimensional potential-energy surface of a fissioning nucleus. This surface guides the nuclear shape evolution from the ground state, over inner and outer saddle points, to the final configurations of separated fission fragments. We have previously shown that our macroscopic-microscopic nuclear potential-energy model yields calculated 'outer' fission-barrier heights (EB) for even-even nuclei throughout the periodic system that agree with experimental data to within about 1.0 MeV. We present final results of this work. Just recently we have enhanced our macroscopic-microscopic nuclear potential-energy model to also allow the consideration of axially asymmetric shapes. This shape degree of freedom has a substantial effect on the calculated height (EA) of the inner peak of some actinide fission barriers. We present examples of fission-barrier calculations by use of this model with its redetermined constants. Finally we discuss what the model now tells us about fission barriers at the end of the r-process nucleosynthesis path. (author)
Dependence of Fission-Fragment Properties On Excitation Energy For Neutron-Rich Actinides
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Ramos D.
2016-01-01
Isotopic fission yields of 250Cf, 244Cm, 240Pu, 239Np and 238U are presented in this work. With this information, the average number of neutrons as a function of the atomic number of the fragments is calculated, which reflects the impact of nuclear structure around Z=50, N=80 on the production of fission fragments. The characteristics of the Super Long, Standard I, Standard II, and Standard III fission channels were extracted from fits of the fragment yields for different ranges of excitation energy. The position and contribution of the fission channels as function of excitation energy are presented.
Dependence of Fission-Fragment Properties On Excitation Energy For Neutron-Rich Actinides
Ramos, D.; Rodríguez-Tajes, C.; Caamaño, M.; Farget, F.; Audouin, L.; Benlliure, J.; Casarejos, E.; Clement, E.; Cortina, D.; Delaune, O.; Derkx, X.; Dijon, A.; Doré, D.; Fernández-Domínguez, B.; de France, G.; Heinz, A.; Jacquot, B.; Navin, A.; Paradela, C.; Rejmund, M.; Roger, T.; Salsac, M. D.; Schmitt, C.
2016-03-01
Experimental access to full isotopic fragment distributions is very important to determine the features of the fission process. However, the isotopic identification of fission fragments has been, in the past, partial and scarce. A solution based on the use of inverse kinematics to study transfer-induced fission of exotic actinides was carried out at GANIL, resulting in the first experiment accessing the full identification of a collection of fissioning systems and their corresponding fission fragment distribution. In these experiments, a 238U beam at 6.14 AMeV impinged on a carbon target to produce fissioning systems from U to Am by transfer reactions, and Cf by fusion reactions. Isotopic fission yields of 250Cf, 244Cm, 240Pu, 239Np and 238U are presented in this work. With this information, the average number of neutrons as a function of the atomic number of the fragments is calculated, which reflects the impact of nuclear structure around Z=50, N=80 on the production of fission fragments. The characteristics of the Super Long, Standard I, Standard II, and Standard III fission channels were extracted from fits of the fragment yields for different ranges of excitation energy. The position and contribution of the fission channels as function of excitation energy are presented.
Energy Technology Data Exchange (ETDEWEB)
Perkasa, Y. S. [Department of Physics, Sunan Gunung Djati State Islamic University Bandung, Jl. A.H Nasution No. 105 Cibiru, Bandung (Indonesia); Waris, A., E-mail: awaris@fi.itb.ac.id; Kurniadi, R., E-mail: awaris@fi.itb.ac.id; Su' ud, Z., E-mail: awaris@fi.itb.ac.id [Nuclear Physics and Biophysics Research Division, Department of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesa No. 10 Bandung 40132 (Indonesia)
2014-09-30
Comparative studies of actinide and sub-actinide fission cross section calculation from MCNP6 and TALYS have been conducted. In this work, fission cross section resulted from MCNP6 prediction will be compared with result from TALYS calculation. MCNP6 with its event generator CEM03.03 and LAQGSM03.03 have been validated and verified for several intermediate and heavy nuclides fission reaction data and also has a good agreement with experimental data for fission reaction that induced by photons, pions, and nucleons at energy from several ten of MeV to about 1 TeV. The calculation that induced within TALYS will be focused mainly to several hundred MeV for actinide and sub-actinide nuclides and will be compared with MCNP6 code and several experimental data from other evaluator.
Development of calculation code of fission products specific activity in primary coolant
International Nuclear Information System (INIS)
Based on an assumption of that there is a design basis fuel defect level from reactor startup, calculation method of fission products specific activities in primary coolant is studied. Time-dependent nuclide activities in defect fuel are calculated by ORIGEN code, and nuclide releases from the defect fuel are considered. After processed by interface codes, data are used by PCFPA code which is used to calculate nuclide activities in the coolant. PCFPA solves differential equations by unit of decay chain, and totally considers decay's contribution to nuclide activities, and considers different system design between secondary and third generation plants such as AP1000. The method could provide the maximum of specific activity during plant operation and their results are consistent with data in AP1000 DCD(Rev.16). The method could be applicable to shielding design in secondary and third generation plants such as AP1000. (authors)
Calculation of fissile nuclides and fission products inventory applied to ETRR-1 research reactor
International Nuclear Information System (INIS)
The study of the nuclear reactor fuel safety implies studying physical mechanical, thermal and chemical proportions of the fuel during normal operation and accident conditions. A model was developed to calculate the fissile nuclides and fission products inventory in an operating reactor. The model considers the production and removal of different radionuclides leaking into account the decay schemes of each. The mathematical formulas were treated without any approximations. A decay model was developed for the period after reactor shutdown. The amount of different nuclides was evaluated for a given cooling time. Egypt test and research reactor number 1, ETRR-1. Was chosen to apply the model. The amount of about 200 nuclides was calculated. A certain nuclides was chosen to be presented based on their poisoning ratios. Criticality calculations were carried out to investigate the criticality condition of the reactor at different operating times. 4 fig
Nuclear model calculation on neutron induced fission fragment mass yields of 238U
International Nuclear Information System (INIS)
The fission fragment mass yield is one of the most important characteristics of the fission process in both applications and basic nuclear physics. In nuclear energy applications, the configuration of fission products must be known because they are accumulated during the operation of a nuclear reactor. In theoretical physics, the ability to describe and predict fission yields is required for an effective nuclear fission model. Since the nuclear fission process is described by a great number of parameters, and the existing theoretical models fail to describe the fission process completely, the fission yields are amongst the most important consequences to benchmark the validity of fission models. In the present study, two different approaches to predict the neutron-induced fission fragment mass distribution of 238U has been applied. The first approach is temperature dependent Brosa model, and the other based on GEF model. The model-based predicted results are in good agreement with the experimental data
International Nuclear Information System (INIS)
The correlation between the sub-barrier resonant behaviour of fission cross-section of non-fissile actinides (pre-scission stage) and the visible fluctuations of their fission fragment and prompt neutron data (post-scission stage) around the incident energies of sub-barrier resonances is outlined and supported by quantitative results for two fissioning systems 234,238U(n,f). These quantitative results refer to both stages of the fission process: a) the pre-scission stage including the calculation of neutron induced cross-sections with focus on fission. Calculations are done in the frame of the refined statistical model for fission with sub-barrier effects also extended to take into account the multi-modal fission; b) the post-scission stage including the prompt neutron emission treated in the frame of the Point-by-Point model. Total quantities characterizing the fission fragments and the prompt neutrons obtained by averaging the Point-by-Point results as a function of fragment over the fission fragment distributions reveal variations around the energies of sub-barrier resonances in the fission cross-section. (authors)
Directory of Open Access Journals (Sweden)
Oberstedt S.
2013-03-01
Full Text Available The correlation between the sub-barrier resonant behaviour of fission crosssection of non-fissile actinides (pre-scission stage and the visible fluctuations of their fission fragment and prompt neutron data (post-scission stage around the incident energies of sub-barrier resonances is outlined and supported by quantitative results for two fissioning systems 234,238U(n,f. These quantitative results refer to both stages of the fission process: a The pre-scission stage including the calculation of neutron induced cross-sections with focus on fission. Calculations are done in the frame of the refined statistical model for fission with sub-barrier effects also extended to take into account the multi-modal fission. b The post-scission stage including the prompt neutron emission treated in the frame of the Point-by-Point model. Total quantities characterizing the fission fragments and the prompt neutrons obtained by averaging the Point-by-Point results as a function of fragment over the fission fragment distributions reveal variations around the energies of sub-barrier resonances in the fission crosssection.
Calculation of neutron importance function in fissionable assemblies using Monte Carlo method
International Nuclear Information System (INIS)
The purpose of the present work is to develop an efficient solution method to calculate neutron importance function in fissionable assemblies for all criticality conditions, using Monte Carlo Method. The neutron importance function has a well important role in perturbation theory and reactor dynamic calculations. Usually this function can be determined by calculating adjoint flux through out solving the Adjoint weighted transport equation with deterministic methods. However, in complex geometries these calculations are very difficult. In this article, considering the capabilities of MCNP code in solving problems with complex geometries and its closeness to physical concepts, a comprehensive method based on physical concept of neutron importance has been introduced for calculating neutron importance function in sub-critical, critical and supercritical conditions. For this means a computer program has been developed. The results of the method has been benchmarked with ANISN code calculations in 1 and 2 group modes for simple geometries and their correctness has been approved for all three criticality conditions. Ultimately, the efficiency of the method for complex geometries has been shown by calculation of neutron importance in MNSR research reactor
In-core thermal hydraulic and fission product calculations for severe fuel damage analyses
International Nuclear Information System (INIS)
Best-estimate calculations of realistic source terms are presented which reduce uncertainties in predicting fission product release from the UO2 fuel over the temperature range between 770 K and 3000 K. The proposed method of correlation includes such fuel morphology effects as equiaxed fuel grain growth and fuel-cladding interaction. The method correlates the product of fuel release rate and equiaxed grain size with the inverse fuel temperature to yield a bulk mass transfer correlation. It was found that less and slower releases are predicted utilizing the bulk mass transfer correlation than such conventional literature correlations as the steam oxidation model and the NUREG-0956 correlation. A Severe Fuel Damage (SFD) analysis code was developed to perform the thermal hydraulic and fission product calculations needed to analyze the Power Burst Facility SFD tests. The predictions utilizing the bulk mass transfer correlations overall followed the experimental time-release histories during the course of the heatup, power hold and cooldown phases of the transients. Good agreements were achieved for the integral releases both in timing and in magnitude. The proposed bulk mass transfer correlations can be applied to both current and advanced light water reactor fuels. 17 refs., 8 figs., 3 tabs
International Nuclear Information System (INIS)
SOURCE 2.0 is a computer code being jointly developed within the Canadian nuclear industry. It will model the necessary mechanisms required to calculate the fission product release for a variety of accident scenarios, including large break loss of coolant accidents with or without emergency coolant injection. This paper presents the origin of SOURCE 2.0, describes the code structure, the fission product mechanisms modelled, and the quality assurance procedures that are being followed during the code's life cycle. (author)
Fission dynamics within time-dependent Hartree-Fock: deformation-induced fission
Goddard, P M; Rios, A
2015-01-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus, and the daughter products. Purpose: To explore the ability of dynamic mean-field methods to describe fast fission processes beyond the fission barrier, using the nuclide $^{240}$Pu as an example. Methods: Time-dependent Hartree-Fock calculations based on the Skyrme interaction are used to calculate non-adiabatic fission paths, beginning from static constrained Hartree-Fock calculations. The properties of the dynamic states are interpreted in terms of the nature of their collective motion. Fission product properties are compared to data. Results: Parent nuclei constrained to begin dynamic evolution with a deformation less than the fission barrier exhibit giant-resonance-type behaviour. Those beginning just beyond the ...
International Nuclear Information System (INIS)
A set of computer programs is developed for the calculation of laser-driven fission-fusion microexplosions. Both nuclear and thermohydrodynamic processes are considered, as well as their coupling effects, without taking into account the laser interaction so far, but simulating it by a boundary pressure pulse that can be varied parametrically. Three different systems (BERTA, NORMA-CLARA, NORMA-LIBERTAS) have been developed upon different approaches. BERTA is an integrated code which takes into account both nuclear and hydrodynamic processes in a coupled but simplified way. NORMA calculates in detail the thermo-hydrodynamic evolution under given boundary pressure conditions and nuclear energy generation. CLARA is a discrete-ordinates time-dependent neutron transport code which works directly coupled with NORMA. LIBERTAS is a Monte Carlo time-dependent neutron transport code, also coupled to NORMA, which can be of interest for analysis of anomalous or stochastic situations. (orig.)
Delayed neutron spectra and their uncertainties in fission product summation calculations
Energy Technology Data Exchange (ETDEWEB)
Miyazono, T.; Sagisaka, M.; Ohta, H.; Oyamatsu, K.; Tamaki, M. [Nagoya Univ. (Japan)
1997-03-01
Uncertainties in delayed neutron summation calculations are evaluated with ENDF/B-VI for 50 fissioning systems. As the first step, uncertainty calculations are performed for the aggregate delayed neutron activity with the same approximate method as proposed previously for the decay heat uncertainty analyses. Typical uncertainty values are about 6-14% for {sup 238}U(F) and about 13-23% for {sup 243}Am(F) at cooling times 0.1-100 (s). These values are typically 2-3 times larger than those in decay heat at the same cooling times. For aggregate delayed neutron spectra, the uncertainties would be larger than those for the delayed neutron activity because much more information about the nuclear structure is still necessary. (author)
Directory of Open Access Journals (Sweden)
Zakari-Issoufou A.-A.
2014-03-01
Full Text Available β-decay properties of fission products are very important for applied reactor physics, for instance to estimate the decay heat released immediately after the reactor shutdown and to estimate the ν¯$\\bar \
Electron-capture delayed fission properties of 242Es
International Nuclear Information System (INIS)
Electron-capture delayed fission of 242Es produced via the 233U(14N,5n)242Es reaction at 87 MeV (on target) was observed to decay with a half-life of 11±3 s, consistent with the reported α-decay half-life of 242Es of 16-4+6 s. The mass-yield distribution of the fission fragments is highly asymmetric. The average pre-neutron emission total kinetic energy of the fragments was measured to be 183±18 MeV. Based on the ratio of the measured number of fission events to the measured number of α decays from the electron-capture daughter 242Cf (100% α branch), the probability of delayed fission was determined to be 0.006±0.002. This value for the delayed fission probability fits the experimental trend of increasing delayed fission probability with increasing Q value for electron capture. (c) 2000 The American Physical Society
Fission fragment properties and the problem of the pulse height defect
International Nuclear Information System (INIS)
The pulse height defect (PHD) has been investigated for three different counting gases commonly used in ionization chambers. The PHD introduces an underestimation of the kinetic energy of a charged particle detected with an ionization chamber. Thus, in some cases it is of crucial importance to correct for this effect, e.g. when studying fission fragment properties. A new method was used, applying a waveform digitizer, to study the PHD. The fission fragment properties from spontaneous fission of 252Cf where determined using different counting gases and different ways of correcting for the PHD were evaluated. (author)
Energy Technology Data Exchange (ETDEWEB)
Smith, P.D.
1978-02-01
A special purpose computer program, TRAFIC, is presented for calculating the release of metallic fission products from an HTGR core. The program is based upon Fick's law of diffusion for radioactive species. One-dimensional transient diffusion calculations are performed for the coated fuel particles and for the structural graphite web. A quasi steady-state calculation is performed for the fuel rod matrix material. The model accounts for nonlinear adsorption behavior in the fuel rod gap and on the coolant hole boundary. The TRAFIC program is designed to operate in a core survey mode; that is, it performs many repetitive calculations for a large number of spatial locations in the core. This is necessary in order to obtain an accurate volume integrated release. For this reason the program has been designed with calculational efficiency as one of its main objectives. A highly efficient numerical method is used in the solution. The method makes use of the Duhamel superposition principle to eliminate interior spatial solutions from consideration. Linear response functions relating the concentrations and mass fluxes on the boundaries of a homogeneous region are derived. Multiple regions are numerically coupled through interface conditions. Algebraic elimination is used to reduce the equations as far as possible. The problem reduces to two nonlinear equations in two unknowns, which are solved using a Newton Raphson technique.
Energy Technology Data Exchange (ETDEWEB)
Jo, Yu Gwon; Cho, Nam Zin [KAIST, Daejeon (Korea, Republic of)
2014-10-15
The OLG iteration scheme uses overlapping regions for each local problem solved by continuous-energy MC calculation to reduce errors in inaccurate boundary conditions (BCs) that are caused by discretization in space, energy, and angle. However, the overlapping region increases computational burdens and the discretized BCs for continuous-energy MC calculation result in an inaccurate global p-CMFD solution. On the other hand, there also have been several studies on the direct domain decomposed MC calculation where each processor simulates particles within its own domain and exchanges the particles crossing the domain boundary between processors with certain frequency. The efficiency of this method depends on the message checking frequency and the buffer size. Furthermore, it should overcome the load-imbalance problem for better parallel efficiency. Recently, fission and surface source (FSS) iteration method based on banking both fission and surface sources for the next iteration (i.e., cycle) was proposed to give exact BCs for non overlapping local problems in domain decomposition and tested in one-dimensional continuous-energy reactor problems. In this paper, the FSS iteration method is combined with a source splitting scheme to reduce the load imbalance problem and achieve global variance reduction. The performances are tested on a two dimensional continuous-energy reactor problem with domain-based parallelism and compared with the FSS iteration without source splitting. Numerical results show the improvements of the FSS iteration with source splitting. This paper describes the FSS iteration scheme in the domain decomposition method and proposes the FSS iteration combined with the source splitting based on the number of sampled sources, reducing the load-imbalance problem in domain-based parallelism and achieving global variance reduction.
Berge, Léonie
2015-01-01
The prompt fission neutron spectrum (PFNS) is very important for various nuclear physics applications. Yet, except for the 252Cf spontaneous fission spectrum which is an international standard and is used for metrology purposes, the PFNS is still poorly known for most of the fissionning nuclides. In particular, few measurements exist for the fast fission spectrum (induced by a neutron whose energy exceeds about 100 keV), and the international evaluations show strong discrepancies. There are a...
Demetriou, P.; Keutgen, Thomas; Prieels, René; El Masri, Youssef
2010-01-01
Fission properties of proton-induced fission on Th232, Np237, U238, Pu239, and Am241 targets, measured at the Louvain-la-Neuve cyclotron facility at proton energies of 26.5 and 62.9 MeV, are compared with the predictions of the state-of-the-art nuclear reaction code talys. The code couples the multimodal random neck-rupture model with the pre-equilibrium exciton and statistical models to predict fission fragment mass yields, pre- and post-scission neutron multiplicities, and total fission cro...
Benchmarking Nuclear Fission Theory
G. F. Bertsch(INT, Seattle, USA); Loveland, W.; Nazarewicz, W.; Talou, P.
2015-01-01
We suggest a small set of fission observables to be used as test cases for validation of theoretical calculations. The purpose is to provide common data to facilitate the comparison of different fission theories and models. The proposed observables are chosen from fission barriers, spontaneous fission lifetimes, fission yield characteristics, and fission isomer excitation energies.
International Nuclear Information System (INIS)
Full text: The implementation in the reaction code system EMPIRE-2.19 of an advanced formalism for fission cross-section calculation has been completed. The formalism is based on the optical model for fission and can be applied for nuclei exhibiting double- or triple-humped barrier starting from sub-barrier excitation energies. The optical model for fission, initially developed to describe the resonant structure of the fission cross section at sub-barrier excitation energies due to the vibrational states in the second well of a double-humped fission barrier, was extended to light actinides by including the relations for the transmission coefficients through a complex triple-humped fission barrier. The real part of the fission barrier is parameterised as a function of the nucleus deformation by five smoothly joined parabolas. The imaginary potential is introduced only in the deformation range corresponding to the second well because the tertiary well is supposed to be shallow enough to neglect the damping of class III vibrational states. The transition states are assumed to be rotational states built on vibrational or non-collective band-heads. As the excitation energy increases, the shell effect, which causes the splitting of the outer barrier, diminishes and the outer humps lump into a single one. Therefore, in the present formalism, triple-humped barriers are associated only to the discrete transition states; the contribution of continuum to the fission coefficients is calculated considering a double-humped barrier. The parameters of the second single barrier equivalent with the outer humps are being determined from the condition of equal transmission coefficients. The saddle-point transition states in continuum are described by level densities (BCS below the critical energy and a modified version of Fermi Gas above) accounting for collective enhancements specific to the nuclear shape asymmetry at each saddle point . The neutron cross sections of 232Th in the
Calculation of 239Pu fission observables in an event-by-event simulation
Energy Technology Data Exchange (ETDEWEB)
Vogt, R; Randrup, J; Pruet, J; Younes, W
2010-03-31
The increased interest in more exclusive fission observables has demanded more detailed models. We describe a new computational model, FREYA, that aims to meet this need by producing large samples of complete fission events from which any observable of interest can then be extracted consistently, including any interesting correlations. The various model assumptions are described and the potential utility of the model is illustrated. As a concrete example, we use formal statistical methods, experimental data on neutron production in neutron-induced fission of {sup 239}Pu, along with FREYA, to develop quantitative insights into the relation between reaction observables and detailed microscopic aspects of fission. Current measurements of the mean number of prompt neutrons emitted in fission taken together with less accurate current measurements for the prompt post-fission neutron energy spectrum, up to the threshold for multi-chance fission, place remarkably fine constraints on microscopic theories.
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We present a model which allows for the calculation of fragment excitation energy, fragment kinetic energies and neutron evaporation in nuclear fission. The model is based on the assumption that, at the end of the fission process, fragments are excited to a temperature which is proportional to the reaction Q-value. Starting from this assumption the distribution functions of fragment excitation can be formulated and the distribution functions for the kinetic energies can be derived by a Monte Carlo method. From the distribution functions for the excitation energy neutron evaporation characteristics are calculated. (author)
Testing actinide fission yield treatment in CINDER90 for use in MCNP6 burnup calculations
International Nuclear Information System (INIS)
Most of the development of the MCNPX/6 burnup capability focused on features that were applied to the Boltzman transport or used to prepare coefficients for use in CINDER90, with little change to CINDER90 or the CINDER90 data. Though a scheme exists for best solving the coupled Boltzman and Bateman equations, the most significant approximation is that the employed nuclear data are correct and complete. Thus, the CINDER90 library file contains 60 different actinide fission yields encompassing 36 fissionable actinides (thermal, fast, high energy and spontaneous fission). Fission reaction data exists for more than 60 actinides and as a result, fission yield data must be approximated for actinides that do not possess fission yield information. Several types of approximations are used for estimating fission yields for actinides which do not possess explicit fission yield data. The objective of this study is to test whether or not certain approximations of fission yield selection have any impact on predictability of major actinides and fission products. Further we assess which other fission products, available in MCNP6 Tier 3, result in the largest difference in production. Because the CINDER90 library file is in ASCII format and therefore easily amendable, we assess reasons for choosing, as well as compare actinide and major fission product prediction for the H. B. Robinson benchmark for, three separate fission yield selection methods: (1) the current CINDER90 library file method (Base); (2) the element method (Element); and (3) the isobar method (Isobar). Results show that the three methods tested result in similar prediction of major actinides, Tc-99 and Cs-137; however, certain fission products resulted in significantly different production depending on the method of choice
Fission fragment properties from a microscopic approach with the Gogny force
International Nuclear Information System (INIS)
Potential energy surfaces are calculated in the elongation-asymmetry plane, with nuclear shapes ranging from sphericity to very large deformations, using the Hartree-Fock-Bogoliubov method and the Gogny nucleon-nucleon effective interaction (parameterization D1S), for the 226Th and 256,258,260Fm Fissioning systems. In order to discriminate between pre- and post-scission configurations, we define a criterion based on the nuclear density. Using this criterion, a big number of scission configurations are identified, and several fragment properties are extracted from them, namely fragment deformations, deformation energies, energy partitioning, neutron binding energies at scission, charge polarization, total fragment kinetic energies and neutron emission multiplicities. (authors)
Experimental evidence for the separability of compound-nucleus and fragment properties in fission
Schmidt, Karl-Heinz; Kelic, Aleksandra; Ricciardi, Maria Valentina
2007-01-01
The large body of experimental data on nuclear fission is analyzed with a semi-empirical ordering scheme based on the macro-microscopic approach and the separability of compound-nucleus and fragment properties on the fission path. We apply the statistical model to the non-equilibrium descent from saddle to scission, taking the influence of dynamics into account by an early freeze out. The present approach reveals a large portion of common features behind the variety of the complex observation...
Energy Technology Data Exchange (ETDEWEB)
Gerasimenko, B.F. [V.G. Khlopin Radium Inst., Saint Peterburg (Russian Federation)
1997-03-01
The calculations of integral spectra of prompt neutrons of spontaneous fission of {sup 244}Cm and {sup 246}Cm were carried out. The calculations were done by the Statistical Computer Code Complex SCOFIN applying the Hauser-Feschbach method as applied to the description of the de-excitation of excited fission fragments by means of neutron emission. The emission of dipole gamma-quanta from these fragments was considered as a competing process. The average excitation energy of a fragment was calculated by two-spheroidal model of tangent fragments. The density of levels in an excited fragment was calculated by the Fermi-gas model. The quite satisfactory agreement was reached between theoretical and experimental results obtained in frames of Project measurements. The calculated values of average multiplicities of neutron number were 2,746 for {sup 244}Cm and 2,927 for {sup 246}Cm that was in a good accordance with published experimental figures. (author)
Statistical model calculations with a double-humped fission barrier GIVAB computer code
International Nuclear Information System (INIS)
Neutron and gamma emission probabilities and fission probabilities are computed, taking into account the special feature of the actinide fission barriers with two maxima. Spectra and cross sections are directly deduced from these probabilities. Populations of both wells are followed step by step. For each initial E and J, decay rates are computed and normalized in order to obtain the de-excitation probabilities imposed by the two-humped fission barrier
SPY: a new scission-point model based on microscopic inputs to predict fission fragment properties
Directory of Open Access Journals (Sweden)
Panebianco Stefano
2014-04-01
Full Text Available Despite the difficulty in describing the whole fission dynamics, the main fragment characteristics can be determined in a static approach based on a so-called scission-point model. Within this framework, a new Scission-Point model for the calculations of fission fragment Yields (SPY has been developed. This model, initially based on the approach developed by Wilkins in the late seventies, consists in performing a static energy balance at scission, where the two fragments are supposed to be completely separated so that their macroscopic properties (mass and charge can be considered as fixed. Given the knowledge of the system state density, averaged quantities such as mass and charge yields, mean kinetic and excitation energy can then be extracted in the framework of a microcanonical statistical description. The main advantage of the SPY model is the introduction of one of the most up-to-date microscopic descriptions of the nucleus for the individual energy of each fragment and, in the future, for their state density. These quantities are obtained in the framework of HFB calculations using the Gogny nucleon-nucleon interaction, ensuring an overall coherence of the model. Starting from a description of the SPY model and its main features, a comparison between the SPY predictions and experimental data will be discussed for some specific cases, from light nuclei around mercury to major actinides. Moreover, extensive predictions over the whole chart of nuclides will be discussed, with particular attention to their implication in stellar nucleosynthesis. Finally, future developments, mainly concerning the introduction of microscopic state densities, will be briefly discussed.
SPY: a new scission-point model based on microscopic inputs to predict fission fragment properties
International Nuclear Information System (INIS)
Despite the difficulty in describing the whole fission dynamics, the main fragment characteristics can be determined in a static approach based on a so-called scission-point model. Within this framework, a new Scission-Point model for the calculations of fission fragment Yields (SPY) has been developed. This model, initially based on the approach developed by Wilkins in the late seventies, consists in performing a static energy balance at scission, where the two fragments are supposed to be completely separated so that their macroscopic properties (mass and charge) can be considered as fixed. Given the knowledge of the system state density, averaged quantities such as mass and charge yields, mean kinetic and excitation energy can then be extracted in the framework of a microcanonical statistical description. The main advantage of the SPY model is the introduction of one of the most up-to-date microscopic descriptions of the nucleus for the individual energy of each fragment and, in the future, for their state density. These quantities are obtained in the framework of HFB calculations using the Gogny nucleon-nucleon interaction, ensuring an overall coherence of the model. Starting from a description of the SPY model and its main features, a comparison between the SPY predictions and experimental data will be discussed for some specific cases, from light nuclei around mercury to major actinides. Moreover, extensive predictions over the whole chart of nuclides will be discussed, with particular attention to their implication in stellar nucleosynthesis. Finally, future developments, mainly concerning the introduction of microscopic state densities, will be briefly discussed. (author)
SPY: a new scission-point model based on microscopic inputs to predict fission fragment properties
Energy Technology Data Exchange (ETDEWEB)
Panebianco, Stefano; Lemaître, Jean-Francois; Sida, Jean-Luc [CEA Centre de Saclay, Gif-sur-Ivette (France); Dubray, Noëel [CEA, DAM, DIF, Arpajon (France); Goriely, Stephane [Institut d' Astronomie et d' Astrophisique, Universite Libre de Bruxelles, Brussels (Belgium)
2014-07-01
Despite the difficulty in describing the whole fission dynamics, the main fragment characteristics can be determined in a static approach based on a so-called scission-point model. Within this framework, a new Scission-Point model for the calculations of fission fragment Yields (SPY) has been developed. This model, initially based on the approach developed by Wilkins in the late seventies, consists in performing a static energy balance at scission, where the two fragments are supposed to be completely separated so that their macroscopic properties (mass and charge) can be considered as fixed. Given the knowledge of the system state density, averaged quantities such as mass and charge yields, mean kinetic and excitation energy can then be extracted in the framework of a microcanonical statistical description. The main advantage of the SPY model is the introduction of one of the most up-to-date microscopic descriptions of the nucleus for the individual energy of each fragment and, in the future, for their state density. These quantities are obtained in the framework of HFB calculations using the Gogny nucleon-nucleon interaction, ensuring an overall coherence of the model. Starting from a description of the SPY model and its main features, a comparison between the SPY predictions and experimental data will be discussed for some specific cases, from light nuclei around mercury to major actinides. Moreover, extensive predictions over the whole chart of nuclides will be discussed, with particular attention to their implication in stellar nucleosynthesis. Finally, future developments, mainly concerning the introduction of microscopic state densities, will be briefly discussed. (author)
Calculation of the nuclear fission data based on the framework of the QMD + SDM
International Nuclear Information System (INIS)
The quantum molecular dynamics (QMD), statistical decay model (SDM) and the statistical fission theory were used to analyze the mass distribution of the fission products, the prompt fission neutron spectrum (x(E)) and the prompt fission neutron multiplicities (ν-barpf(E)) caused by the intermediate energy nucleon-induced fission. The semi-empirical formula of energy level density parameter used in the statistical process was also studied. Very few adjustable parameters were included in the present method. By some physical analysis, it can be thought that the present results are reasonable. The x(E) and ν-barpf(E) can be obtained in the intermediate energy region by the present method
International Nuclear Information System (INIS)
The differential behaviour of prompt-neutron multiplicities in the system 235U(nth,f) as a function of the total kinetic energy of the fission fragments and as a function of the emission angle relative to the direction of the light fragment are calculated with the GEF code. The results deviate from previous calculations by Nikolay Kornilov and are closer to the experimental data. The possible role of approximations and the neglect of correlations in the multi-dimensional coordinate space that characterizes the fission process are discussed. (author)
International Nuclear Information System (INIS)
Recent experimental results for spontaneous fission half-lives and fission fragment mass and kinetic-energy distributions and other properties of the fragments are reviewed and compared with recent theoretical models. The experimental data lend support to the existence of the predicted deformed shells near Z = 108 and N = 162. Prospects for extending detailed studies of spontaneous fission properties to elements beyond hahnium (element 105) are considered. (orig.)
Fission barriers and half-lives
International Nuclear Information System (INIS)
The authors briefly review the development of theoretical models for the calculation of fission barriers and half-lives. They focus on how results of actual calculations in a unified macroscopic-microscopic approach provide an interpretation of the mechanisms behind some of the large number of phenomena observed in fission. As instructive examples they choose studies of the rapidly varying fission properties of elements at the end of the periodic system
International Nuclear Information System (INIS)
The fission cross section of 233U has been calculated using a new version of the statistical model and recent data for inelastic scattering levels and fission barrier parameters. The calculation accurately reproduces the experimental fission cross section. The calculated partial cross section for fission through different saddle point states (JKπ) has been used in the explanation of structure in average number of fission prompt neutrons anti νsub(p) and average total fission fragment kinetic energy anti Esub(k) and the energy dependence of the fission fragment anisotropy
International Nuclear Information System (INIS)
In the framework of the present thesis by comparison of the experimental measurement data obtained by means of the detector system DIOGENES with calculated trajectories possible scission-point configurations of the fissioning nucleus should be stated. Special interest was dedicated to the evaluation of the so-called particle-accompanied fission in which beside the two fission fragments yet a light particle is additionally emitted. The initial conditions of a fission searched for are obtained by means of trajectory calculations which yield for assumed starting values the physical quantities as result which are also experimental accessible like final energies of all three contributing particles and angle between the light particle and the light fragment. The calculations were performed both for spherical and for rotational-ellipsoidally deformed fragments. All calculations were performed including the Coulomb and nuclear interaction forces between the three contributing nuclei, the fission fragment, and the α particle. (orig./HSI)
ZZ ORYX-E/38B, Group Constant Library from ENDF/B Fission Product Data for ORIGEN Calculation
International Nuclear Information System (INIS)
1 - Nature of physical problem solved: Format: ORIGEN; Number of groups: 124 energy groups; Nuclides: H, He, Li, Be, B, C, N, O, F, Ne, Na, Mg, Al, Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Br, Kr, Rb, Sr, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, In, Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Hf, Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po. Origin: ENDF/B-IV; Weighting spectrum: Maxwellian (1/E) fission spectrum with a one percent tolerance. ORYX-E increases the versatility of the program ORIGEN , the isotope generation and depletion code package by providing basic cross section and decay information for light element, fission-product, and actinide nuclides. This data library package results from data compiled for ORNL Chemical Technology Division's work with ORIGEN and from a 2-year effort of the cross section evaluation working group (CSEWG) fission product task force. 2 - Method of solution: The data is generated from ENDF/B-IV and is formatted for input to the ORIGEN code. Applications include calculations for waste projection, decay heat, nuclear safeguards, and fuel cycle economics. The data library is generated from the ENDF/B-IV fission product data. The capture cross section of all fission product nuclides for which capture cross section information is given (about 180 nuclides) were processed into 124 energy groups using MINX. Multigroup cross sections were generated at 0 degrees with infinite dilution and one broad thermal group. Fine group data was generated using a Maxwellian (1/E) fission spectrum with a one percent tolerance
Shielding calculation of a hot cell for the processing of fission products
International Nuclear Information System (INIS)
A dose rate estimation is made for an operator of a lead wall, fission products processing hot cell, in a distance of 50 cm from the emission source, at Brazilian Institute of Nuclear Engineering (IEN). (L.C.J.A.)
International Nuclear Information System (INIS)
In a Monte Carlo (MC) eigenvalue calculation, it is well known that the apparent variance of a local tally such as pin power differs from the real variance considerably. The MC method in eigenvalue calculations uses a power iteration method. In the power iteration method, the fission matrix (FM) and fission source density (FSD) are used as the operator and the solution. The FM is useful to estimate a variance and covariance because the FM can be calculated by a few cycle calculations even at inactive cycle. Recently, S. Carney have implemented the higher order fission matrix (HOFM) capabilities into the MCNP6 MC code in order to apply to extend the perturbation theory to second order. In this study, the HOFM capability by the Hotelling deflation method was implemented into McCARD and used to predict the behavior of a real and apparent SD ratio. In the simple 1D slab problems, the Endo's theoretical model predicts well the real to apparent SD ratio. It was noted that the Endo's theoretical model with the McCARD higher mode FS solutions by the HOFM yields much better the real to apparent SD ratio than that with the analytic solutions. In the near future, the application for a high dominance ratio problem such as BEAVRS benchmark will be conducted
The microscopic theory of fission
Younes, W.; Gogny, D.
2009-01-01
Fission-fragment properties have been calculated for thermal neutron-induced fission on a $^{239}\\textrm{Pu}$ target, using constrained Hartree-Fock-Bogoliubov calculations with a finite-range effective interaction. A quantitative criterion based on the interaction energy between the nascent fragments is introduced to define the scission configurations. The validity of this criterion is benchmarked against experimental measurements of the kinetic energies and of multiplicities of neutrons emi...
International Nuclear Information System (INIS)
Fission and total level densities modelling approach was developed. Neutron-induced fission cross section data for incident energies from 10 keV up to emissive fission threshold were employed to extract level density and fission barrier parameters. In particular, fission barrier parameters (inner barrier height, outer barrier height, curvatures) were extracted for altogether 49 isotopes of Th, Pa, U, Np, Pu, Am, Cm, Bk, and Cf. The adopted level density modelling approach and fission barrier parametrization was supported by calculations of fission cross section data above the emissive fission threshold, up to 20 MeV neutron incident energy. (author)
International Nuclear Information System (INIS)
It is important to understand the behavior of fission products under irradiation. In this paper, recent activities for obtaining the fundamental findings concerning the effect of FPs accumulation on the thermophysical properties of oxide fuels for fast reactors are presented. (author)
Fission dynamics within time-dependent Hartree-Fock: Deformation-induced fission
Goddard, Philip; Stevenson, Paul; Rios, Arnau
2015-11-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus and the daughter products. Purpose: We explore the ability of dynamic mean-field methods to describe fast fission processes beyond the fission barrier, using the nuclide Pu240 as an example. Methods: Time-dependent Hartree-Fock calculations based on the Skyrme interaction are used to calculate nonadiabatic fission paths, beginning from static constrained Hartree-Fock calculations. The properties of the dynamic states are interpreted in terms of the nature of their collective motion. Fission product properties are compared to data. Results: Parent nuclei constrained to begin dynamic evolution with a deformation less than the fission barrier exhibit giant-resonance-type behavior. Those beginning just beyond the barrier explore large-amplitude motion but do not fission, whereas those beginning beyond the two-fragment pathway crossing fission to final states which differ according to the exact initial deformation. Conclusions: Time-dependent Hartree-Fock is able to give a good qualitative and quantitative description of fast fission, provided one begins from a sufficiently deformed state.
Experimental evidence for the separability of compound-nucleus and fragment properties in fission
Schmidt, Karl-Heinz; Ricciardi, Maria Valentina
2007-01-01
The large body of experimental data on nuclear fission is analyzed with a semi-empirical ordering scheme based on the macro-microscopic approach and the separability of compound-nucleus and fragment properties on the fission path. We apply the statistical model to the non-equilibrium descent from saddle to scission, taking the influence of dynamics into account by an early freeze out. The present approach reveals a large portion of common features behind the variety of the complex observations made for the different systems. General implications for out-of-equilibrium processes are mentioned.
Fusion-fission-light ion correlation of mechanical property change in a TZM alloy
International Nuclear Information System (INIS)
In order to study the correlation of damage among fusion neutron-fission neutron-light ion irradiation at low fluence levels, mechanical properties and microstructures in a molybdenum alloy, stress-relieved TZM, were studied. Miniature tensile specimens and TEM disks were irradiated to fluences of 10-4-10-2 dpa by 14 MeV neutrons at RTNS-II, by fission neutrons at Kyoto University Reactor and by 16 MeV Dueterons at Tohoku University Cyclotron. Irradiation hardening was observed at all irradiation conditions. The ratio of the increase in yield stress at the fluence of 1x1022/m2 was 4:3:2 for 6 MeV deuterons, fusion neutron and fission neutron, respectively. The magnitude of irradiation hardening was not expressed by the same curve even in the dpa scale. Small defect clusters were observed uniformly in specimens irradiated with any particles. (orig.)
Fifth International Conference on Fission and Properties of Neutron-Rich Nuclei
Ramayya, A V; ICFN5
2014-01-01
These proceedings are the fifth in the series of International Conferences covering fission and properties of neutron-rich nuclei, which are at the forefront of nuclear research. The time interval of 5 years between each conference allows for significant new results to be achieved. Recently, world leaders in theory and experiments in research and the development of new facilities for research presented their latest results in areas such as synthesis of superheavy elements, new facilities for and recent results with radioactive ion beams, structure of neutron-rich nuclei, nuclear fission process, fission yields and nuclear astrophysics. This book is a major source of the latest research in these areas and plans for the future. The conference brought together a unique group of over 100 speakers including leaders from the major nuclear laboratories in Canada, China, France, Finland, Germany, Italy, Japan, Russia, Switerzland and the US along with leading research scientists from around the world.
Zakari-Issoufou, A.-A.; Porta, A.; Fallot, M.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Agramunt, J.; Äystö, J.; Bowry, M.; Bui, V. M.; Caballero-Folch, R.; Cano-Ott, D.; Eloma, V.; Estévez, E.; Farrelly, G. F.; Garcia, A.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez, A.; Podolyak, Zs.; Penttilä, H.; Regan, P. H.; Rissanen, J.; Rubio, B.; Weber, C.
2014-03-01
β-decay properties of fission products are very important for applied reactor physics, for instance to estimate the decay heat released immediately after the reactor shutdown and to estimate the bar ν flux emitted. An accurate estimation of the decay heat and the bar ν emitted flux from reactors, are necessary for purposes such as reactors operation safety and non-proliferation. In order to improve the precision in the prediction for these quantities, the bias due to the Pandemonium effect affecting some important fission product data has to be corrected. New measurements of fission products β-decay, not sensitive to this effect, have been performed with a Total Absorption Spectrometer (TAS) at the JYFL facility of Jyväskylä. An overview of the TAS technique and first results from the 2009 campaign will be presented.
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This report describes the calculation procedure of the TRANCS code, which deals with fission product transport in fuel rod of high temperature gas-cooled reactor (HTGR). The fundamental equation modeled in the code is a cylindrical one-dimensional diffusion equation with generation and decay terms, and the non-stationary solution of the equation is obtained numerically by a finite difference method. The generation terms consist of the diffusional release from coated fuel particles, recoil release from outer-most coating layer of the fuel particle and generation due to contaminating uranium in the graphite matrix of the fuel compact. The decay term deals with neutron capture as well as beta decay. Factors affecting the computation error has been examined, and further extention of the code has been discussed in the fields of radial transport of fission products from graphite sleeve into coolant helium gas and axial transport in the fuel rod. (author)
Use of ELOCA.Mk5 to calculate transient fission product release from CANDU fuel elements
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A change in fuel element power output, or a change in heat transfer conditions, will result in an immediate change in the temperature distribution in a fuel element. The temperature distribution change will be accompanied by concomitant changes in fuel stress distribution that lead, in turn, to a release of fission products to the fuel-to-sheath gap. It is important to know the inventory of fission products in the fuel-to-sheath gap, because this inventory is a major component of the source term for many postulated reactor accidents. ELOCA.Mk5 is a FORTRAN-77 computer code that has been developed to estimate transient releases to the fuel-to-sheath gap in CANDU reactors. ELOCA.Mk5 is an integration of the FREEDOM fission product release model into the ELOCA fuel element thermo-mechanical code. The integration of FREEDOM into ELOCA allows ELOCA.Mk5 to model the feedback mechanisms between the fission product release and the thermo-mechanical response of the fuel element. This paper describes the physical model, gives details of the ELOCA.Mkt code, and describes the validation of the model. We demonstrate that the model gives good agreement with experimental results for both steady state and transient conditions
Monte-Carlo Hauser-Feshbach simulations of prompt fission gamma-ray properties
Stetcu, Ionel; Talou, Patrick; Kawano, Toshihiko; Jandel, Marian
2014-09-01
Properties of prompt fission neutrons and γ rays, emitted before the weak decays of the fission fragments toward stability, are important for both nuclear technologies and a better understanding of the fission process. In the present work, we use the Hauser-Feshbach model to simulate the de-excitation of the fully accelerated fission fragments treated as compound nuclei. Our Monte-Carlo implementation of the Hauser-Feshbach statistical model, which takes into account the competition between the neutron and γ emissions, allows the description of both average quantities, like in the Los Alamos model, and correlations between the emitted particles. Our simulations will be compared against available experimental data and current evaluations. In particular, we will compare our average γ-ray spectrum with recent measurements at the research reactor KFKI in Budapest for the 235U(nth , f) and 252Cf(sf) reactions, as well as multiplicity-dependent distributions obtained at the DANCE facility at LANSCE. Properties of prompt fission neutrons and γ rays, emitted before the weak decays of the fission fragments toward stability, are important for both nuclear technologies and a better understanding of the fission process. In the present work, we use the Hauser-Feshbach model to simulate the de-excitation of the fully accelerated fission fragments treated as compound nuclei. Our Monte-Carlo implementation of the Hauser-Feshbach statistical model, which takes into account the competition between the neutron and γ emissions, allows the description of both average quantities, like in the Los Alamos model, and correlations between the emitted particles. Our simulations will be compared against available experimental data and current evaluations. In particular, we will compare our average γ-ray spectrum with recent measurements at the research reactor KFKI in Budapest for the 235U(nth , f) and 252Cf(sf) reactions, as well as multiplicity-dependent distributions obtained at the
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Freyss, M.; Dorado, B.; Durinck, J. [CEA Cadarache (DEN/DEC/SESC/LLCC), 13 - Saint-Paul-lez-Durance (France). Dept. d' Etudes des Combustibles
2008-07-01
The aim of this work is to determine precisely the mechanisms of formation and migration of defects and fission products as well as the associated energies. Examples on uranium dioxide UO{sub 2} (standard nuclear fuel) and on uranium carbide UC (potential fuel for new generation reactors) are given. The obtained results are discussed and compared with the experimental results carried out. The ab initio method used is the Projector Augmented-Wave (PAW) method based on the density functional theory. The particular electronic properties of actinides are especially studied because, on account of their 5f orbitals more or less localized around the nucleus, it is difficult to model the actinide compounds by the DFT method. In particular, the modelling of the exchange-correlation interaction of the 5f electrons of UO{sub 2} requires approximations (as GGA+U) beyond those more currently used in ab initio calculations (LDA or GGA). (O.M.)
Basic physics of the fission process. Chapter 2
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A general description of the fission process is given with special emphasis on those aspects which are necessary for the understanding of the measurements and calculations of neutron-induced fission cross-sections. Having considered the various phases of the process, some typical properties of the low-energy fission of actinide nuclei are presented and the more specific features of neutron induced fission are examined. (U.K.)
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This work is devoted to the development of calculational models, on the basis of which it is possible to evaluate proliferation protection for various fissionable materials. The main physical, kinematic and thermal processes that take place in a hypothetical nuclear explosive device (HNED) are simulated. Consideration is referred both to gun-type and implosion-type HNED. The objective of the gun-type HNED model is to estimate the maximum speed at which subcritical masses can be assembled. At the basis of the model it is laid the assumption that the movement of the projectile in the barrel is uniformly accelerated. To estimate maximum allowable explosive gas pressure the model of A. V. Gadolin (proposed in 1852 year) is used (1). The addition of spontaneous neutron source (for example, 232U with beryllium admixture) into nuclear material (U) in order to provide a premature initiation of chain reaction (pre-detonation) was analyzed. Required neutron source strength and fraction of 232U with beryllium admixture for a pre-detonation were evaluated. The principle design of implosion-type HNED is based on the model which was proposed by Doctor G. Kessler (2). The implosion-type HNED consists of a central plutonium charge surrounded by spherical layers of natural uranium, aluminum and chemical high explosive (HE). To protect nuclear material (Pu) it is suggested (2) to add some amount of radioactive isotope (238Pu), the alpha decay heat of which could overheat HNED and render it non-functional. When heated up, HNED loses its effectiveness mainly due to the high-temperature instability of HE (meltdown, pyrolysis and self-ignition). A calculational model of non-stationary warm-up of implosive-type HNED has been developed in order to evaluate the rate of loss of its effectiveness for different isotopic compositions of plutonium and for different methods of heat removal. The paper presents the obtained results in numerical studies of the transient behavior of temperature
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Shmelev, A.N.; Kulikov, E.G.; Apse, V.A.; Kulikov, G.G. [Moscow Engineering Physics Institute (State University), Kashirskoe shosse 31, Moscow, 115409 (Russian Federation)
2009-06-15
This work is devoted to the development of calculational models, on the basis of which it is possible to evaluate proliferation protection for various fissionable materials. The main physical, kinematic and thermal processes that take place in a hypothetical nuclear explosive device (HNED) are simulated. Consideration is referred both to gun-type and implosion-type HNED. The objective of the gun-type HNED model is to estimate the maximum speed at which subcritical masses can be assembled. At the basis of the model it is laid the assumption that the movement of the projectile in the barrel is uniformly accelerated. To estimate maximum allowable explosive gas pressure the model of A. V. Gadolin (proposed in 1852 year) is used (1). The addition of spontaneous neutron source (for example, {sup 232}U with beryllium admixture) into nuclear material (U) in order to provide a premature initiation of chain reaction (pre-detonation) was analyzed. Required neutron source strength and fraction of {sup 232}U with beryllium admixture for a pre-detonation were evaluated. The principle design of implosion-type HNED is based on the model which was proposed by Doctor G. Kessler (2). The implosion-type HNED consists of a central plutonium charge surrounded by spherical layers of natural uranium, aluminum and chemical high explosive (HE). To protect nuclear material (Pu) it is suggested (2) to add some amount of radioactive isotope ({sup 238}Pu), the alpha decay heat of which could overheat HNED and render it non-functional. When heated up, HNED loses its effectiveness mainly due to the high-temperature instability of HE (meltdown, pyrolysis and self-ignition). A calculational model of non-stationary warm-up of implosive-type HNED has been developed in order to evaluate the rate of loss of its effectiveness for different isotopic compositions of plutonium and for different methods of heat removal. The paper presents the obtained results in numerical studies of the transient behavior
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We have made oxides with the same uranium and plutonium content, the same stoichiometry and the same fission product content as an oxide fuel (U0,8PuO2)O1,96 after 2 per cent burn up. We have calculated the stoichiometry changes due to irradiation and checked the calculation by X rays parameters measurements. We have calculated and measured the contraction of the oxide lattice due to fission products in solid solution. Microprobe analysis of precipitates have been made and have lead to the identification of non metallic barium containing compounds and have shown the particular behaviour of molybdenum. Some physical properties have been measured especially the electrical resistivity, the thermal diffusivity and the vapour pressure of zirconium in solid solution. (author)
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SOURCES 4A is a computer code that determines neutron production rates and spectra from (α,n) reactions, spontaneous fission, and delayed neutron emission due to the decay of radionuclides. The code is capable of calculating (α,n) source rates and spectra in four types of problems: homogeneous media (i.e., a mixture of α-emitting source material and low-Z target material), two-region interface problems (i.e., a slab of α-emitting source material in contact with a slab of low-Z target material), three-region interface problems (i.e., a thin slab of low-Z target material sandwiched between α-emitting source material and low-Z target material), and (α,n) reactions induced by a monoenergetic beam of α-particles incident on a slab of target material. Spontaneous fission spectra are calculated with evaluated half-life, spontaneous fission branching, and Watt spectrum parameters for 43 actinides. The (α,n) spectra are calculated using an assumed isotropic angular distribution in the center-of-mass system with a library of 89 nuclide decay α-particle spectra, 24 sets of measured and/or evaluated (α,n) cross sections and product nuclide level branching fractions, and functional α-particle stopping cross sections for Z < 106. The delayed neutron spectra are taken from an evaluated library of 105 precursors. The code outputs the magnitude and spectra of the resultant neutron source. It also provides an analysis of the contributions to that source by each nuclide in the problem
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Wilson, W. B. (William B.); Perry, R. T. (Robert T.); Shores, E. F. (Erik F.); Charlton, W. S. (William S.); Parish, Theodore A.; Estes, G. P. (Guy P.); Brown, T. H. (Thomas H.); Arthur, Edward D. (Edward Dana),; Bozoian, Michael; England, T. R.; Madland, D. G.; Stewart, J. E. (James E.)
2002-01-01
SOURCES 4C is a computer code that determines neutron production rates and spectra from ({alpha},n) reactions, spontaneous fission, and delayed neutron emission due to radionuclide decay. The code is capable of calculating ({alpha},n) source rates and spectra in four types of problems: homogeneous media (i.e., an intimate mixture of a-emitting source material and low-Z target material), two-region interface problems (i.e., a slab of {alpha}-emitting source material in contact with a slab of low-Z target material), three-region interface problems (i.e., a thin slab of low-Z target material sandwiched between {alpha}-emitting source material and low-Z target material), and ({alpha},n) reactions induced by a monoenergetic beam of {alpha}-particles incident on a slab of target material. Spontaneous fission spectra are calculated with evaluated half-life, spontaneous fission branching, and Watt spectrum parameters for 44 actinides. The ({alpha},n) spectra are calculated using an assumed isotropic angular distribution in the center-of-mass system with a library of 107 nuclide decay {alpha}-particle spectra, 24 sets of measured and/or evaluated ({alpha},n) cross sections and product nuclide level branching fractions, and functional {alpha}-particle stopping cross sections for Z < 106. The delayed neutron spectra are taken from an evaluated library of 105 precursors. The code provides the magnitude and spectra, if desired, of the resultant neutron source in addition to an analysis of the'contributions by each nuclide in the problem. LASTCALL, a graphical user interface, is included in the code package.
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Hybrid fusion-fission reactor has advantages of production of nuclear fuel and transmutation of long-life nuclear waste and having inherent safety, at the same time, demand is significantly reduced compare to the pure fusion reactor. Breeding blanket is the key part of the fusion-fission reactor and in the past, the uranium-plutonium blanket concept was widely investigated. Considering the problem of uranium-plutonium cycle and abundant in thorium in our country, in this work,a thorium-based breeding and MA (minor actinides) transmutation blanket concept was proposed and the preliminary neutronics calculation was discussed. One-dimensional transport and burnup calculation code BISONC and Monte-Carlo transport code MCNP were used to calculate the key parameters, such as tritium breeding ratio, production of 233U mass and power density,and so on. The fuel of 233U enrichment can be 3.65%. It is the foundation for optimization of the blanket. (authors)
Calculated Bulk Properties of the Actinide Metals
DEFF Research Database (Denmark)
Skriver, Hans Lomholt; Andersen, O. K.; Johansson, B.
1978-01-01
Self-consistent relativistic calculations of the electronic properties for seven actinides (Ac-Am) have been performed using the linear muffin-tin orbitals method within the atomic-sphere approximation. Exchange and correlation were included in the local spin-density scheme. The theory explains t...... the variation of the atomic volume and the bulk modulus through the 5f series in terms of an increasing 5f binding up to plutonium followed by a sudden localisation (through complete spin polarisation) in americium...
Al-Adili A.; Fabry I.; Borcea R.; Zeynalov S.; Kornilov N.; Hambsch F.-J.; Oberstedt S.
2010-01-01
Fission Research at JRC-IRMM has a longstanding tradition. The present paper is discussing recent investigations of fission fragment properties of 238 U(n,f), 234 U(n,f), prompt neutron emission in fission of 252 Cf(SF) as well as the prompt fission neutron spectrum of 235 U(n,f) and is presenting the most important results.
Fission properties of Po isotopes in different macroscopic-microscopic models
Bartel, J.; Pomorski, K.; Nerlo-Pomorska, B.; Schmitt, Ch
2015-11-01
Fission-barrier heights of nuclei in the Po isotopic chain are investigated in several macroscopic-microscopic models. Using the Yukawa-folded single-particle potential, the Lublin-Strasbourg drop (LSD) model, the Strutinsky shell-correction method to yield the shell corrections and the BCS theory for the pairing contributions, fission-barrier heights are calculated and found in quite good agreement with the experimental data. This turns out, however, to be only the case when the underlying macroscopic, liquid-drop (LD) type, theory is well chosen. Together with the LSD approach, different LD parametrizations proposed by Moretto et al are tested. Four deformation parameters describing respectively elongation, neck-formation, reflectional-asymmetric, and non-axiality of the nuclear shape thus defining the so called modified Funny Hills shape parametrization are used in the calculation. The present study clearly demonstrates that nuclear fission-barrier heights constitute a challenging and selective tool to discern between such different macroscopic approaches.
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The fission fragment properties of the reaction 238U(n,f) have been studied, at different incident neutron energies ranging from En=1.2 to 5.8 MeV. The pre-neutron emission mass, kinetic energy and fission fragment angular distributions have been investigated with a double Frisch-gridded ionization chamber. The influence of the subthreshold vibrational resonances and of the proton pairing effect on the fission fragment properties is clearly visible. The total kinetic energy averaged over all fission fragment masses TKEbar shows an increasing trend up to En=3.5 MeV with a sudden drop at roughly En=3.8 MeV which has been attributed to the onset of pair breaking at the barrier. Above En=3.8 MeV, the TKEbar is again continuously increasing. The changes in the mass yield and TKEbar(A) distributions have been studied as a function of the compound nuclear excitation energy and their contribution to the observed variations in the TKEbar have been determined. The two-dimensional mass-TKE distributions have been described in terms of fission modes and compared with theoretical calculations performed recently in the frame of the multi-modal random neck-rupture model. Although theoretically six asymmetric fission modes are predicted which all surpass individual outer barriers, an interpretation in terms of only two asymmetric modes has physical meaning. This points to an influence of shell structure effects to the observed distributions. In any case, the super-long symmetric mode has to be included, in order to explain the dip in TKEbar(A) distribution close to symmetry
Vivès, F.; Hambsch, F.-J.; Bax, H.; Oberstedt, S.
2000-01-01
The fission fragment properties of the reaction 238U(n,f) have been studied, at different incident neutron energies ranging from En=1.2 to 5.8 MeV. The pre-neutron emission mass, kinetic energy and fission fragment angular distributions have been investigated with a double Frisch-gridded ionization chamber. The influence of the subthreshold vibrational resonances and of the proton pairing effect on the fission fragment properties is clearly visible. The total kinetic energy averaged over all fission fragment masses ( overlineTKE) shows an increasing trend up to En=3.5 MeV with a sudden drop at roughly En=3.8 MeV which has been attributed to the onset of pair breaking at the barrier. Above En=3.8 MeV, the overlineTKE is again continuously increasing. The changes in the mass yield and overlineTKE( A) distributions have been studied as a function of the compound nuclear excitation energy and their contribution to the observed variations in the overlineTKE have been determined. The two-dimensional mass-TKE distributions have been described in terms of fission modes and compared with theoretical calculations performed recently in the frame of the multi-modal random neck-rupture model. Although theoretically six asymmetric fission modes are predicted which all surpass individual outer barriers, an interpretation in terms of only two asymmetric modes has physical meaning. This points to an influence of shell structure effects to the observed distributions. In any case, the super-long symmetric mode has to be included, in order to explain the dip in overlineTKE( A) distribution close to symmetry.
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Based on the Fick's law the computer program FPDR has been developed to calculate the one-dimensional diffusion and release behavior of fission products in the graphite sleeves of the first and second OGL-1 fuel assembly. Through the comparison between the measured and calculated penetration profiles, the diffusion coefficient of 90Sr in the first fuel sleeve has been estimated to be (2 -- 5) x 10-13 m2/s; those of 137Cs and 90Sr in the second fuel sleeve around or larger than 1 x 10-12 m2/s, and --10-14 m2/s, respectively. The release of 90Sr from the second fuel sleeve is negligible; that of 137Cs depends linearly on its diffusion coefficient if the coefficient is larger than 10-12 m2/s, but practically does not depend on its evaporation parameter. (author)
Energy Technology Data Exchange (ETDEWEB)
Kuijper, J.C.
1992-01-01
The aim of the authors' work was to investigate the static and dynamic properties of a GCFR with oscillating (moving) fuel gas. A simplified schematic diagram of such a GCFR, similar to the concept of Kistemaker (Kis78a), is shown. It consists of a graphite cylinder of, say, 2 m diameter and 10 m length, filled with a mixture of uranium and carbon fluorides (UCF) at high temperature in ionized state, in chemical and thermodynamical equilibrium with the graphite cylinder wall (Kis78a, Kis86, Kle87). The cylindrical gas space is divided into an active 'core' region, surrounded by an effective (thick) neutron reflector, and a so-called 'expander' region, surrounded by a much less effective (thinner or with neutron poison) neutron reflector. In operation, part of the fuel gas oscillates back and forth between core and expander region. The investigation requires the study of neutron statics, neutron kinetics, reactor gas thermodynamics and gas dynamics, resulting in a combined calculational model, containing these aspects. In order to achieve this the authors followed a step-by-step approach.
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Analyses of the prismatic VHTR with Monte Carlo method suffer from slow fission source convergence. MHTGR-350 is a prismatic VHTR, which has an asymmetric reflector thickness along the axial direction. In this case, fission source distribution also becomes strong asymmetrical distribution according to the asymmetric reactor reflector thickness. Therefore, the converged fission source must be verified to pursue the Monte Carlo simulation of the reactor type. In this study, how the axial reflector thickness affects the fission source convergence was evaluated with changing the prismatic VHTR reflector thickness. In this study, how the axial reflector thickness affects the fission source convergence was evaluated. For the symmetric reflector cases, the results show the fission source distribution was converged within 60th cycle. However, in the cases of the asymmetric reflector thickness, it is notified that the convergence cycle of the fission source distribution exceeded 200th cycle. Analysis shows that the inactive cycle for the Monte Carlo eigenvalue calculation should be considerably decided when the reactor has asymmetric reflector thicknesses such as the MHTGR-350. It is expected that these results can be directly used for evaluating and analyzing the prismatic VHTR with Monte Carlo method
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The computer program, TRANCS, has been developed for evaluating the fractional release of long-lived fission products from coated fuel particles. This code numerically gives the non-stationary solution of the diffusion equation with birth and decay terms. The birth term deals with the fissile material in the fuel kernel, the contamination in the coating layers and the fission-recoil transfer from the kernel into the buffer layer; and the decay term deals with effective decay not only due to beta decay but also due to neutron capture, if appropriate input data are given. The code calculates the concentration profile, the release to birth rates (R/B), and the release and residual fractions in the coated fuel particle. Results obtained numerically have been in good agreement with the corresponding analytical solutions after the Booth model. Thus, the validity of the present code was confirmed, and further undate of the code has been discussed for extention of its computation scopes and models. (author)
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The delayed fission-gamma-ray, which is emitted aggregatively from the unstable nuclides produced by fission, must be taken into account properly in calculation of the gamma-ray source in nuclear reactors. Despite its importance, the delayed gamma-ray data is not well organized nor prepared even in major nuclear data libraries such as JENDL and ENDF/B. Here we prepare the delayed gamma-ray spectra for five major fissioning nuclides. In calculating these spectra, theoretical estimation of the unknown spectra was carried out widely for a lot of no-data nuclides, which had been a major source of ambiguity in calculating the delayed gamma-ray spectra. (author)
Dependence of Fission-Fragment Properties On Excitation Energy For Neutron-Rich Actinides
Ramos D; Rodríguez-Tajes C.; Caamaño M.; Farget F.; Audouin L.; Benlliure J.; Casarejos E.; Clement E.; Cortina D.; Delaune O.; Derkx X.; Dijon A.; Doré D.; Fernández-Domínguez B.; France G. de
2015-01-01
Experimental access to full isotopic fragment distributions is very important to determine the features of the fission process. However, the isotopic identification of fission fragments has been, in the past, partial and scarce. A solution based on the use of inverse kinematics to study transfer-induced fission of exotic actinides was carried out at GANIL, resulting in the first experiment accessing the full identification of a collection of fissioning systems and their corresponding fission ...
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Fabritsiev, S.A. [D.V. Efremov Institute, St. Petersburg (Russian Federation); Zinkle, S.J.; Rowcliffe, A.F. [Oak Ridge National Lab., TN (United States)] [and others
1995-04-01
The objective of this study is to evaluate the properties of several copper alloys following fission reactor irradiation at ITER-relevant temperatures of 80 to 200{degrees}C. This study provides some of the data needed for the ITER research and development Task T213. These low temperature irradiations caused significant radiation hardening and a dramatic decrease in the work hardening ability of copper and copper alloys. The uniform elongation was higher at 200{degree}C compared to 100{degree}C, but still remained below 1% for most of the copper alloys.
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Half-life values of spontaneous nuclear decay processes are presented in the framework of the Effective Liquid Drop Model (ELDM) using the combination of varying mass asymmetry shape description for the mass transfer with Werner-Wheeler's inertia coefficient VMAS/WW. The calculated half-lives of ground-state to ground-state transitions for the proton emission, alpha decay, cluster radioactivity, and cold fission processes are compared with experimental data. Results have shown that the ELDM is a very efficient model to describe these different decay processes in a same, unified theoretical framework. A Table listing the predicted half-life values, τc is presented for all possible cases of spontaneous nuclear break-up such that -7.30 10 τc [S] 10(τ/τc) > -17.0, where τ is the total half-life of the parent nucleus. (author)
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Critical mass experiments were performed using assemblies which simulated one-dimensional lattice consisting of shielding containers with metal fissile materials. Calculations of the criticality of the above assemblies were carried out using the KLAN program with the BAS neutron constants. Errors in the calculations of the criticality for one-, two-, and three-dimensional lattices are estimated. 3 refs.; 1 tab
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Uranium dioxide UO2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO2, we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)
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A survey is given of the present state of knowledge of the spectrum, angular distribution and number of prompt fission neutrons, as functions of incident neutron energy and individual fragment mass, for low-energy fission. The energy spectrum of prompt neutrons has been found to be of the same form (nearly Maxwellian) for many different types of fission. It has been shown that this type of spectrum is to be expected on the basis of evaporation from moving fragments, and theoretical predictions of the spectrum agree very accurately with experimental data. Some data are now available on the variation of the neutron spectrum with fragment mass and angle of emission. Only recently has it become possible to take accurate data on the angular distribution of the neutrons. It appears that the neutrons have the angular distribution to be expected if emitted almost isotropically from the moving fragments, with a possibility that some small fraction are not emitted in this way, but directly from the fissioning nuclide. Much work has been done on the variation of fission neutron number v with incident neutron energy for neutron-induced fission. The neutron number increases roughly linearly with energy, with a slope of about 0.15 n/MeV. There is now evidence that this slope changes somewhat with energy. This change must be associated with other changes in the-fission process. The most interesting recent discovery concerning fission neutrons is the strong dependence of neutron number on individual fragment mass. The data are being rapidly improved by means of the newer techniques of determining fragment mass yields from velocity and pulse-height data, and of determining neutron yields from cumulative mass yields. There is evidence of similar dependence of neutron yield on fragment mass in a number of cases. It has been suggested that this property is directly connected with the deformability of the fragments, and in particular with the near-spherical shapes of magic
Transmutation of Tc-99 and I-129 in fission reactors. A calculational study
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The HWR is a better candidate for large-scale transmutation of long-lived fission products. When target pins containing either Tc-99 or I-129 are positioned in the centre of each fuel bundle of a 935 MWe CANDU reactor, the transmutation half lives are 44 and 20 years, respectively, and the gross transmutation rates 60 and 48 kg/a. The positive coolant void coefficient is reduced in both cases with about 30%. When Tc-99 target pins are positioned in the moderator between the fuel bundles, the transmutation half life becomes 25 years and the gross transmutation rate 106 kg/a. This means that one HWR can serve four PWRs with equal power. The fast reactor seems most promising. When Tc-99 target pins are irradiated in moderated subassemblies in the inner core of Superphenix (∼1240 MWe), a transmutation half life of 15 years is obtained with a gross transmutation rate of 122 kg/a. These values become 18 years and 101 kg/a when non-moderated subassemblies are used for the irradiation. This implies that one fast reactor can serve four to five PWRs with equal power. The PWR seems not very effective for transmutation of Tc-99. Large inventories are needed to obtain a Tc-99 transmutation rate equal to the production rate (18 kg/a for a 900 MWe PWR). When all guide tubes of an UO2 fuelled PWR are filled with Tc-99 with density of 5 g cm-3, the transmutation half life is 39 years and the gross transmutation rate 64 kg/a. (orig./GL)
A calculational study on neutron kinetics and thermodynamics of a gaseous core fission reactor
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A numerical and analytical study of the static and dynamic properties of a GCFR with oscillating fuel gas (uranium and carbon fluorides) is presented. Neutron kinetics parts of combined GCFR models are introduced. Thermodynamic properties of the GCFR and of the fuel gas are treated. (HP)
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The document includes the following two reports: 'Correlation properties of delayed neutrons from fast neutron induced fission' and 'Method and set-up for measurements of trace level content of heavy fissionable elements based on delayed neutron counting. A separate abstract was prepared for each report
International Nuclear Information System (INIS)
Starting from the first law of thermodynamics, the theoretical principles for the description of interactions between fission products and other materials are derived step by step, using fundamental terms such as phase equilibria, mixtures and solutions. Thereafter, the concepts of Onsager's theory of irreversible thermodynamics are introduced. They serve as an example of modelling fission product transport with special respect to thermochemical properties. In the last chapter real technical concepts for fission product retention are evaluated using thermodynamic criteria. A fine distinction is performed between barrier-, filter- and sinkmechanisms for retention-purposes. One important result is, that a barrier-concept alone doesn't meet the challenge of nuclear power operation without the probability of hazardous accidents. The work is finished by a proposal to improve the fission product retention capabilities of HTR fuel-elements in combination with a coating of the fuel-pebbles. (orig./DG)
Theory of neutron emission in fission
International Nuclear Information System (INIS)
Following a summary of the observables in neutron emission in fission, a brief history is given of theoretical representations of the prompt fission neutron spectrum N(E) and average prompt neutron multiplicity bar νp. This is followed by descriptions, together with examples, of modern approaches to the calculation of these quantities including recent advancements. Emphasis will be placed upon the predictability and accuracy of the modern approaches. In particular, the dependence of N(E) and bar νp on the fissioning nucleus and its excitation energy will be discussed, as will the effects of and competition between first-, second- and third-chance fission in circumstances of high excitation energy. Finally, properties of neutron-rich (fission-fragment) nuclei are discussed that must be better known to calculate N(E) and bar νp with higher accuracy than is currently possible
Thermal fission rates with temperature dependent fission barriers
Zhu, Yi
2016-01-01
\\item[Background] The fission processes of thermal excited nuclei are conventionally studied by statistical models which rely on inputs of phenomenological level densities and potential barriers. Therefore the microscopic descriptions of spontaneous fission and induced fission are very desirable for a unified understanding of various fission processes. \\item[Purpose] We propose to study the fission rates, at both low and high temperatures, with microscopically calculated temperature-dependent fission barriers and mass parameters. \\item[Methods] The fission barriers are calculated by the finite-temperature Skyrme-Hartree-Fock+BCS method. The mass parameters are calculated by the temperature-dependent cranking approximation. The thermal fission rates can be obtained by the imaginary free energy approach at all temperatures, in which fission barriers are naturally temperature dependent. The fission at low temperatures can be described mainly as a barrier-tunneling process. While the fission at high temperatures ...
Thermal fission rates with temperature dependent fission barriers
Zhu, Yi; Pei, Junchen
2016-01-01
The fission processes of thermal excited nuclei are conventionally studied by statistical models which rely on inputs of phenomenological level densities and potential barriers. Therefore the microscopic descriptions of spontaneous fission and induced fission are very desirable for a unified understanding of various fission processes. We propose to study the fission rates, at both low and high temperatures, with microscopically calculated temperature-dependent fission barriers and collective ...
Calculation of fission product behavior in a multiple reactor barriers in case of an accident
International Nuclear Information System (INIS)
Radiation protection of the population in case of a reactor accident utilizes reference levels which are based on doses values. Therefore, adequate provisions for effective and timely dose assessment for population in case of accidents at nuclear power plant (NPP) are important. Developing the background for such provisions is the objective of this study. In particular, an exponential model has been developed and utilized to calculate the release rate of the most volatile gaseous materials from different reactor barriers. Calculation has been performed for noble gases (133Xe, 135Xe, 138Xe, 85Kr, 87Kr, 88Kr) and the halogens(1'31I, 132I, 133I, 1'34I, 135I). The effective dose rate equivalent is calculations in the nearly stage of a reactor accident. Calculations are performed using the MCNP-4C code. The results are comparable with the final analysis report which utilizes different codes. Results of our calculation shows no excessive dose in populated regions and it is recommended to use secondary containment barrier for highly reduction of the release rate to the environment. (Author)
Indian Academy of Sciences (India)
M Balasubramaniam; K R Vijayaraghavan; C Karthikraj
2015-09-01
We present the ternary fission of 252Cf and 236U within a three-cluster model as well as in a level density approach. The competition between collinear and equatorial geometry is studied by calculating the ternary fragmentation potential as a function of the angle between the lines joining the stationary middle fragment and the two end fragments. The obtained results for the 16O accompanying ternary fission indicate that collinear configuration is preferred to equatorial configuration. Further, for all the possible third fragments, the potential energy surface (PES) is calculated corresponding to an arrangement in which the heaviest and the lightest fragments are considered at the end in a collinear configuration. The PES reveals several possible ternary modes including true ternary modes where the three fragments are of similar size. The complete mass distributions of Si and Ca which accompanied ternary fission of 236U is studied within a level density picture. The obtained results favour several possible ternary combinations.
Recent studies to improve release properties from thick isotope separator on-line fission targets
International Nuclear Information System (INIS)
In the framework of the PARRNe program (Production d'Atomes Radioactifs Riches en Neutrons) of IPN Orsay, various techniques are currently used to characterize the release properties of elements of interest from a UCX target. On-line studies have been carried out with two plasma ion sources: a Nier-Bernas and a hot plasma ISOLDE-type (the ISOLDE collaboration kindly supplied us a MK5 ion source for these studies). In parallel, the analysis of the chemical and structure properties of some UCX samples as function of heating conditions has been carried out. Such data are essential to determine optimal conditions for the production of isotopes by the isotope separator on-line (ISOL) technique. First results are presented here for Kr and Ag. Investigations for other kinds of fission targets are planned
International Nuclear Information System (INIS)
The computer codes FRESCO-I, FRESCO-II, PANAMA and SPATRA developed at Forschungszentrum Jülich in Germany in the early 1980s are essential tools to predict the fission product release from spherical fuel elements and the TRISO fuel performance, respectively, under given normal or accidental conditions. These codes are able to calculate a conservative estimation of the source term, i.e. quantity and duration of radionuclide release. Recently, these codes have been reversed engineered, modernized (FORTRAN 95/2003) and combined to form a consistent code named STACY (Source Term Analysis Code System). STACY will later become a module of the V/HTR Code Package (HCP). In addition, further improvements have been implemented to enable more detailed calculations. For example the distinct temperature profile along the pebble radius is now taken into account and coated particle failure rates can be calculated under normal operating conditions. In addition, the absolute fission product release of an V/HTR pebble bed core can be calculated by using the newly developed burnup code Topological Nuclide Transformation (TNT) replacing the former rudimentary approach. As a new functionality, spatially resolved fission product release calculations for normal operating conditions as well as accident conditions can be performed. In case of a full-core calculation, a large number of individual pebbles which follow a random path through the reactor core can be simulated. The history of the individual pebble is recorded, too. Main input data such as spatially resolved neutron fluxes and fluid dynamics data are provided by the VSOP code. Capabilities of the FRESCO-I and SPATRA code which allow for the simulation of the redistribution of fission products within the primary circuit and the deposition of fission products on graphitic and metallic surfaces are also available in STACY. In this paper, details of the STACY model and first results for its application to the 200 MW(th) HTR
Energy Technology Data Exchange (ETDEWEB)
Xhonneux, Andre, E-mail: a.xhonneux@fz-juelich.de [Forschungszentrum Jülich, 52425 Jülich (Germany); Institute for Reactor Safety and Reactor Technology RWTH-Aachen, 52064 Aachen (Germany); Allelein, Hans-Josef [Forschungszentrum Jülich, 52425 Jülich (Germany); Institute for Reactor Safety and Reactor Technology RWTH-Aachen, 52064 Aachen (Germany)
2014-05-01
The computer codes FRESCO-I, FRESCO-II, PANAMA and SPATRA developed at Forschungszentrum Jülich in Germany in the early 1980s are essential tools to predict the fission product release from spherical fuel elements and the TRISO fuel performance, respectively, under given normal or accidental conditions. These codes are able to calculate a conservative estimation of the source term, i.e. quantity and duration of radionuclide release. Recently, these codes have been reversed engineered, modernized (FORTRAN 95/2003) and combined to form a consistent code named STACY (Source Term Analysis Code System). STACY will later become a module of the V/HTR Code Package (HCP). In addition, further improvements have been implemented to enable more detailed calculations. For example the distinct temperature profile along the pebble radius is now taken into account and coated particle failure rates can be calculated under normal operating conditions. In addition, the absolute fission product release of an V/HTR pebble bed core can be calculated by using the newly developed burnup code Topological Nuclide Transformation (TNT) replacing the former rudimentary approach. As a new functionality, spatially resolved fission product release calculations for normal operating conditions as well as accident conditions can be performed. In case of a full-core calculation, a large number of individual pebbles which follow a random path through the reactor core can be simulated. The history of the individual pebble is recorded, too. Main input data such as spatially resolved neutron fluxes and fluid dynamics data are provided by the VSOP code. Capabilities of the FRESCO-I and SPATRA code which allow for the simulation of the redistribution of fission products within the primary circuit and the deposition of fission products on graphitic and metallic surfaces are also available in STACY. In this paper, details of the STACY model and first results for its application to the 200 MW(th) HTR
International Nuclear Information System (INIS)
RETAIN-S is a code for calculating fission product transport in a multicompartment system. The fission products can occur in the form of aerosols and vapours, and revaporization due to surface heating is taken into consideration. The aerosol model uses log-normal approximation for size distribution. The differences between RETAIN-S and the Industry Degraded Core Rulemaking (IDCOR) version of RETAIN are mentioned briefly. The method for calculating condensation of vapours and vaporization due to heating is described. The results of test calculations made on the Surry AB sequence defined by the Group of Experts on the Source Term (GREST) are given and compared with corresponding NAUA results. It is concluded that the degree of agreement is strongly dependent on the model used for gravitational agglomeration efficiency. The calculations made on a Marviken-V experiment are also reported. It is shown that the results are dependent on the possible condensation of fission product vapour on the walls and on aerosols. In addition, the results are given for a BWR meltdown sequence characterized by a large loss-of-coolant accident with loss of all AC power. One important conclusion is that the source term after containment break is mainly determined by the possible re-evaporation of fission products. (author)
Some spectroscopic properties of fine structures observed near the 231Pa(n,f) fission threshold
International Nuclear Information System (INIS)
The 231Pa neutron-induced fission cross section from 140 to 400 keV was resolved into finer structures. For some of the fractionated vibrational resonances in this energy region, the assignment of spectroscopic parameters may support evidence for an asymmetrically deformed third minimum in the 232Pa fission barrier. Also, for the first time, narrow fission resonances are observed above 1.3 eV exhibiting an average fission width /sub obs/ = 8meV
Burnup calculations of light water-cooled pressure tube blanket for a fusion-fission hybrid reactor
Energy Technology Data Exchange (ETDEWEB)
Zu, Tiejun, E-mail: tiejun@mail.xjtu.edu.cn; Wu, Hongchun; Zheng, Youqi; Cao, Liangzhi
2014-06-15
Highlights: • Detailed burnup calculations are performed on pressurized water cooled blankets with pressure tube assemblies. • The blanket is fueled with simple fuel, namely spent nuclear fuel discharged from light water reactors or natural uranium oxide. • The refueling strategies are proposed, and the uranium resource utilization rate can reach 5–6%. - Abstract: A fusion-fission hybrid reactor (FFHR) with pressure tube blanket has recently been proposed based on an ITER-type tokamak fusion neutron source and the well-developed pressurized water cooling technologies. In this paper, detailed burnup calculations are carried out on an updated blanket. Two different blankets respectively fueled with the spent nuclear fuel (SNF) discharged from light water reactors (LWRs) or natural uranium oxide is investigated. In the first case, a three-batch out-to-in refueling strategy is designed. In the second case, some SNF assemblies are loaded into the blanket to help achieve tritium self-sufficiency. And a three-batch in-to-out refueling strategies is adopted to realize direct use of natural uranium oxide fuel in the blanket. The results show that only about 80 tonnes of SNF or natural uranium are needed every 1500 EFPD (Equivalent Full Power Day) with a 3000 MWth output and tritium self-sufficiency (TBR > 1.15), while the required maximum fusion powers are lower than 500 MW for both the two cases. Based on the proposed refueling strategies, the uranium utilization rate can reach about 4.0%.
Directory of Open Access Journals (Sweden)
Minato Futoshi
2016-01-01
Full Text Available Nuclear β-decay and delayed neutron (DN emission is important for the r-process nucleosynthesis after the freeze-out, and stable and safe operation of nuclear reactors. Even though radioactive beam facilities have enabled us to measure β-decay and branching ratio of neutron-rich nuclei apart from the stability line in the nuclear chart, there are still a lot of nuclei which one cannot investigate experimentally. In particular, information on DN is rather scarce than that of T1/2. To predict T1/2 and the branching ratios of DN for next JENDL decay data, we have developed a method which comprises the quasiparticle-random-phase-approximation (QRPA and the Hauser-Feshbach statistical model (HFSM. In this work, we calculate fission fragments with T1/2 ≤ 50 sec. We obtain the rms deviation from experimental half-life of 3:71. Although the result is still worse than GT2 which has been adopted in JENDL decay data, DN spectra are newly calculated. We also discuss further subjects to be done in future for improving the present approach and making next generation of JENDL decay data.
Minato, Futoshi
2016-06-01
Nuclear β-decay and delayed neutron (DN) emission is important for the r-process nucleosynthesis after the freeze-out, and stable and safe operation of nuclear reactors. Even though radioactive beam facilities have enabled us to measure β-decay and branching ratio of neutron-rich nuclei apart from the stability line in the nuclear chart, there are still a lot of nuclei which one cannot investigate experimentally. In particular, information on DN is rather scarce than that of T1/2. To predict T1/2 and the branching ratios of DN for next JENDL decay data, we have developed a method which comprises the quasiparticle-random-phase-approximation (QRPA) and the Hauser-Feshbach statistical model (HFSM). In this work, we calculate fission fragments with T1/2 ≤ 50 sec. We obtain the rms deviation from experimental half-life of 3:71. Although the result is still worse than GT2 which has been adopted in JENDL decay data, DN spectra are newly calculated. We also discuss further subjects to be done in future for improving the present approach and making next generation of JENDL decay data.
Burnup calculations of light water-cooled pressure tube blanket for a fusion-fission hybrid reactor
International Nuclear Information System (INIS)
Highlights: • Detailed burnup calculations are performed on pressurized water cooled blankets with pressure tube assemblies. • The blanket is fueled with simple fuel, namely spent nuclear fuel discharged from light water reactors or natural uranium oxide. • The refueling strategies are proposed, and the uranium resource utilization rate can reach 5–6%. - Abstract: A fusion-fission hybrid reactor (FFHR) with pressure tube blanket has recently been proposed based on an ITER-type tokamak fusion neutron source and the well-developed pressurized water cooling technologies. In this paper, detailed burnup calculations are carried out on an updated blanket. Two different blankets respectively fueled with the spent nuclear fuel (SNF) discharged from light water reactors (LWRs) or natural uranium oxide is investigated. In the first case, a three-batch out-to-in refueling strategy is designed. In the second case, some SNF assemblies are loaded into the blanket to help achieve tritium self-sufficiency. And a three-batch in-to-out refueling strategies is adopted to realize direct use of natural uranium oxide fuel in the blanket. The results show that only about 80 tonnes of SNF or natural uranium are needed every 1500 EFPD (Equivalent Full Power Day) with a 3000 MWth output and tritium self-sufficiency (TBR > 1.15), while the required maximum fusion powers are lower than 500 MW for both the two cases. Based on the proposed refueling strategies, the uranium utilization rate can reach about 4.0%
Electron-capture delayed fission properties of neutron-deficient einsteinium nuclei
International Nuclear Information System (INIS)
Electron-capture delayed fission (ECDF) properties of neutron-deficient einsteinium isotopes were investigated using a combination of chemical separations and on-line radiation detection methods. 242Es was produced via the 233U(14N,5n)242Es reaction at a beam energy of 87 MeV (on target) in the lab system, and was found to decay with a half-life of 11 ± 3 seconds. The ECDF of 242Es showed a highly asymmetric mass distribution with an average pre-neutron emission total kinetic energy (TKE) of 183 ± 18 MeV. The probability of delayed fission (PDF) was measured to be 0.006 ± 0.002. In conjunction with this experiment, the excitation functions of the 233U(14N,xn)247-xEs and 233U(15N,xn)248-xEs reactions were measured for 243Es, 244Es and 245Es at projectile energies between 80 MeV and 100 MeV
Directory of Open Access Journals (Sweden)
Al-Adili A.
2010-03-01
Full Text Available Fission Research at JRC-IRMM has a longstanding tradition. The present paper is discussing recent investigations of fission fragment properties of 238 U(n,f, 234 U(n,f, prompt neutron emission in fission of 252 Cf(SF as well as the prompt fission neutron spectrum of 235 U(n,f and is presenting the most important results.
Studies of decay properties of fission-product isotopes using the INEL ISOL facility
International Nuclear Information System (INIS)
Using the INEL ISOL facility, the authors are presently involved in a systematic study of the nuclear decay properties of neutron-rich rare-earth isotopes; with 252Cf as the source of fission products. In addition to use of traditional nuclear spectroscopic techniques, this study also involves use of a total absorption γ-ray spectrometer (TAGS) developed for direct-measurement of β-feeding (β-strength) distributions. A feature of this use of the TAGS system is that it provides information on the completeness of the level feeding information deduced from the nuclear spectroscopic measurements. Some results of this work, for the neutron-rich isotopes of Nd, Pm and Sm, are discussed
SPARC-90: A code for calculating fission product capture in suppression pools
International Nuclear Information System (INIS)
This report describes the technical bases and use of two updated versions of a computer code initially developed to serve as a tool for calculating aerosol particle retention in boiling water reactor (BWR) pressure suppression pools during severe accidents, SPARC-87 and SPARC-90. The most recent version is SPARC-90. The initial or prototype version (Owczarski, Postma, and Schreck 1985) was improved to include the following: rigorous treatment of local particle deposition velocities on the surface of oblate spherical bubbles, new correlations for hydrodynamic behavior of bubble swarms, models for aerosol particle growth, both mechanistic and empirical models for vent exit region scrubbing, specific models for hydrodynamics of bubble breakup at various vent types, and models for capture of vapor iodine species. A complete user's guide is provided for SPARC-90 (along with SPARC-87). A code description, code operating instructions, partial code listing, examples of the use of SPARC-90, and summaries of experimental data comparison studies also support the use of SPARC-90. 29 refs., 4 figs., 11 tabs
On nonadiabatic SCF calculations of molecular properties
Fernández, Francisco M.
2009-01-01
We argue that the dynamic extended molecular orbital (DEMO) method may be less accurate than expected because the motion of the center of mass was not properly removed prior to the SCF calculation. Under such conditions the virial theorem is a misleading indication of the accuracy of the wavefunction.
Energy Technology Data Exchange (ETDEWEB)
Duarte, S.B.; Tavares, O.A.P.; Guzman, F.; Dimarco, A. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Garcia, F. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica; Universidade Estadual de Santa Cruz, Ilheus, BA (Brazil). Dept. de Ciencias Exatas e Tecnologicas; Rodriguez, O. [Sao Paulo Univ., SP (Brazil). Inst. de Fisica; Instituto Superior de Ciencias e Tecnologia Nucleares, La Habana (Cuba); Goncalves, M. [Instituto de Radioprotecao e Dosimetria (IRD), Rio de Janeiro, RJ (Brazil)
2002-01-01
Half-life values of spontaneous nuclear decay processes are presented in the framework of the Effective Liquid Drop Model (ELDM) using the combination of varying mass asymmetry shape description for the mass transfer with Werner-Wheeler's inertia coefficient V{sub MAS}/WW. The calculated half-lives of ground-state to ground-state transitions for the proton emission, alpha decay, cluster radioactivity, and cold fission processes are compared with experimental data. Results have shown that the ELDM is a very efficient model to describe these different decay processes in a same, unified theoretical framework. A Table listing the predicted half-life values, {tau}{sub c} is presented for all possible cases of spontaneous nuclear break-up such that -7.30 <{approx_equal} log{sub 10} {tau}{sub c} [S] <{approx_equal} 27.50 and log {sub 10}({tau}/{tau}{sub c}) > -17.0, where {tau} is the total half-life of the parent nucleus. (author)
Properties and calculations of multi parton processes
International Nuclear Information System (INIS)
Methods are studied and developed to calculate multi-jet final states. Jets are streams of hadrons moving more or less in the same direction, resulting from fragmentation of partons (i.e. quarks and gluons) originating from large angle scattering of partons in proton-antiproton collisions. The study of jets at colliders is a direct test of the QCD description of the strong interactions. Furthermore accurate calculations of multi-jet final states may reveal new and interesting physics hidden in the background of these states. In ch. 2 the parton model is described, the application of perturbative calculations is given and the shortcomings of the approach are given. In ch.'s 3 and 4 the Weyl-van der Waerden spinor calculus, which makes optimal use of the fact that in the calculations all partons are taken massless thus reducing a lot of algebra which is necessary in more conventional spinor calculus, is presented and the recursion relations are applied in the actual calculations of multi-parton matrix elements in ch.'s 5, 6, 7 and 8. The Parke-Taylor conjecture, which gives the matrix element for the scattering of two gluons to an arbitrary number of gluons for special helicity of the gluons, and related conjectures are proven. The validity of the conjecture is important because approximate formulae for multi gluon processes are based upon it. The proof is extended to processes involving a quark pair with or without a vector boson (ch. 5). In ch. 6 the soft gluon behaviour of multi-parton processes is examined. A number of factorization processes are proven for scattering amplitudes with an arbitrary number of gluons. The subject of ch.'s 7 and 8 is the explicit calculation of multi-parton helicity amplitudes. Ch. 8 is concerned with n-gluon scattering, n< B, while in ch. 8 the process involving a vector boson and up to 5 partons is calculated. (H.W.). 97 refs.; 2 figs.; 3 tabs. schemes
International Nuclear Information System (INIS)
A method for calculating the fraction of the rare gas fission products that diffuses out of a UO2 fuel element under conditions In a reactor is outlined, The method is based on the values of the diffusion constant found in laboratory experiments, as described In CRDC-718, and assumes that these remain unaltered during the period that the fuel is in the reactor, The method has been applied to two types of oxide in the X-2-f loop test of 1956 and the results compared with the amounts of fission gas found by analysis of the gases collected in sheath puncture experiments, as described in CRDC-719. The calculated values depend heavily on the estimated temperatures In the fuel. They are in close agreement with the experimental values provided that, in calculating the temperature, certain assumptions are made regarding the thermal expansion of the oxide cylinder. (author)
International Nuclear Information System (INIS)
Mass yields from fission induced by a span of neutron energies up to 18 MeV have been measured for Th232, U235 and U238 target nuclei. Particular attention has been given to the dependence of symmetric fission yields on energy. To study the effect of angular momentum, fission yields from the U236 compound nucleus formed by alpha-particle irradiations of Th232 were also studied over the same span of excitation energies. A standard set of Pd109, Ag111, Pd112 and Ag113 symmetric fission yields was generally measured for all irradiations. In addition, yields of Eu156, Cs136 and 2.3-d Cd115 were measured for some selected combinations of projectile, energy and target nucleus. Assays for Zr97 and sometimes also Ba139 served as fission monitors. Altogether 150 fission yields were measured for these combinations of target nucleus, projectile and incident energy. About one-third of these were checked by replicated irradiations. At highest energies for the U236 compound nucleus the symmetric fission yield from alpha-particle-induced fission is about 13% higher than for neutron-induced fission. Dips in symmetric fission yield were observed at the energy onset of third-chance fission for each target and projectile. Some indication of a small central peak in the mass distribution was observed in the yields from U236 compound nucleus fission, but not from the Th233 compound nucleus fission. Detailed mathematical methods have been developed to separate the effects of fissions preceding and following neutron emission. These methods were used to remove the effects of second- and third-chance fissions from the measured symmetric fission yields. These calculated yields for first-chance fission show no dips with energy. The calculations also show that perhaps half the difference between symmetric yields for alpha- particle-induced fission of Th232 and neutron-induced fission of U235 is attributable to angular momentum effects. Both calculated first-chance yields and measured yields
Numerical calculations of magnetic properties of nanostructures
Kapitan, Vitalii; Nefedev, Konstantin
2015-01-01
Magnetic force microscopy and scanning tunneling microscopy data could be used to test computer numerical models of magnetism. The elaborated numerical model of a face-centered lattice Ising spins is based on pixel distribution in the image of magnetic nanostructures obtained by using scanning microscope. Monte Carlo simulation of the magnetic structure model allowed defining the temperature dependence of magnetization; calculating magnetic hysteresis curves and distribution of magnetization on the surface of submonolayer and monolayer nanofilms of cobalt, depending on the experimental conditions. Our developed package of supercomputer parallel software destined for a numerical simulation of the magnetic-force experiments and allows obtaining the distribution of magnetization in one-dimensional arrays of nanodots and on their basis. There has been determined interpretation of magneto-force microscopy images of magnetic nanodots states. The results of supercomputer simulations and numerical calculations are in...
Properties of the platinoid fission products during vitrification of high-level radioactive waste
Gong, W.; Lutze, W.; Perez-Cardenas, F.; Matlack, K. S.; Pegg, I. L.
2006-05-01
the prototypical off-gas treatment system. In the course of several weeks of testing, a total mass of 28,500 kg of glass was produced and sampled. The effect of operating conditions on the behavior of the platinoids was evaluated, including mixing the melt by bubbling with air vs. not bubbling, and the effects of reducing conditions (by adding sugar to the feed). Tests were conducted with Ru, Rh, Pd (0.17% total oxides) or Ru only (0.09 wt%) in the final glass product. The fractions of the platinoids discharged with the glass, deposited in the melter, and/or released to the off-gas were calculated from the analytical data. In addition, mathematical modeling of the distribution and movement of platinoid crystals within the melt was conducted for various furnace operating conditions. This modeling captured the flow, electrical, and thermal fields within the melt and included coupling of the local material properties to the local temperature. The experimental data on platinoid particle size and morphology were used to provide input for modeling their flow and sedimentation behavior with the objective of estimating accumulation rates and spatial distributions. The modeled deposition of the crystals was found to be uneven, with piles in the corners and thicker layers on slanted bottom surfaces. Consequently, contiguous electrical shorting paths could develop more quickly than what would be assumed based on uniform deposition. This paper will present the results from the experimental and modeling work and discuss their implications for melter lifetime estimation.
Calculations of the transport properties within the PAW formalism
International Nuclear Information System (INIS)
We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (authors)
Calculations of the transport properties within the PAW formalism
Energy Technology Data Exchange (ETDEWEB)
Mazevet, S.; Torrent, M.; Recoules, V.; Jollet, F. [CEA Bruyeres-le-Chatel, DIF, 91 (France)
2010-07-01
We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (authors)
Calculation of some properties of the vacuum
Wang, Z. G.
2002-01-01
In this article, we calculate the dressed quark propagator with the flat bottom potential in the framework of the rain-bow Schwinger-Dyson equation, which is determined by mean field approximation of the global colour model lagrangian. The dressed quark propagator exhibits a dynamical symmetry breaking phenomenon and gives a constituent quark mass about 392 MeV, which is close to the value of commonly used constituent quark mass in the chiral quark model. Then based on the dressed quark propa...
International Nuclear Information System (INIS)
Radiotoxicity is one of important characteristics of radwaste hazard. Radiotoxicity of actinides and fission products from spent fuel of VVER-1000 reactor for processes of burnup, long-term storage, and transmutation is discussed. (author)
Thermal annealing effect on fission fragment track recording properties of polycarbonate
International Nuclear Information System (INIS)
Polycarbonate Track Detector is a commonly used Solid State Nuclear Track Detector (SSNTD) to identify the fission fragment. The phenomenon of spontaneous fission was discussed in papers. The most useful polycarbonate track detector Makrofol-N for recording fission tracks was used. This detector is insensitive to detect the light particles background such as alpha particle, proton etc. The present paper deals with the study of thermal annealing and the mass distribution of 252Cf fission fragments using unannealed and annealed Makrofol-N detectors
International Nuclear Information System (INIS)
An analysis of basicmechanisms of binary and ternary fission of nuclei led to the conclusion that true ternary and quaternary fission of nuclei has a sequential two-step (three-step) character, where, at the first step, a fissile nucleus emits a third light particle (third and fourth light particles) under shakeup effects associated with a nonadiabatic character of its collective deformation motion, whereupon the residual nucleus undergoes fission to two fission fragments. Owing to this, the formulas derived earlier for the widths with respect to sequential two- and three-step decays of nuclei in constructing the theory of two-step twoproton decays and multistep decays in chains of genetically related nuclei could be used to describe the relative yields and angular and energy distributions of third and fourth light particles emitted in (α, α), (t, t), and (α, t) pairs upon the true quaternary spontaneous fission of 252Cf and thermal-neutron-induced fission of 235U and 233U target nuclei. Mechanisms that explain a sharp decrease in the yield of particles appearing second in time and entering into the composition of light-particle pairs that originate from true quaternary fission of nuclei in relation to the yields of analogous particles in true ternary fission of nuclei are proposed
International Nuclear Information System (INIS)
The results of the experiment on measuring the energy dependence of fission fragment angular anisotropy in resonance neutron induced fission of 235U aligned target in energy region up to 42 eV are presented. The agreement with the data of Pattenden and Postma in resonances is good enough, while the theoretical curve, calculated using the R-matrix multilevel two fission channel approach, does not seem to describe the energy dependence of fission fragment angular anisotropy property. The necessity of taking into account the interference between levels with different spins is discussed. 11 refs., 2 figs
The calculation of thermophysical properties of nickel plasma
International Nuclear Information System (INIS)
The thermophysical properties of Nickel plasma have been calculated for the temperatures 10–60 kK and densities less than 1 g/cm3. These properties are the pressure, internal energy, heat capacity, and the electronic transport coefficients (electrical conductivity, thermal conductivity, and thermal power). The thermodynamic values have been calculated by means of the chemical model, which also allows one to obtain the ionic composition of considered plasma. The composition has been used to calculate the electronic transport coefficients within the relaxation time approximation. The results of the present investigation have been compared with the calculations of other researchers and available data of measurements
Calculation of material properties and ray tracing in transformation media
Schurig, D.; J. B. Pendry; Smith, D R
2006-01-01
Complex and interesting electromagnetic behavior can be found in spaces with non-flat topology. When considering the properties of an electromagnetic medium under an arbitrary coordinate transformation an alternative interpretation presents itself. The transformed material property tensors may be interpreted as a different set of material properties in a flat, Cartesian space. We describe the calculation of these material properties for coordinate transformations that describe spaces with sph...
Measurements of fission fragment properties using RPI's lead slowing down spectrometer
International Nuclear Information System (INIS)
A double sided Frisch-gridded fission chamber for use in the Rennselaer Polytechnic Institute (RPI) lead slowing-down neutron spectrometer (LSDS) is being developed at RPI. Placing this fission chamber in the high neutron flux of the LSDS allows the measurement of the energy dependent, neutron induced fission cross sections, as well as the mass and kinetic energy of the fission fragments of various small samples. The fission chamber consists of two anodes shielded by Frisch grids on either side of a single cathode. The sample is located in the center of the cathode and is made by depositing small amounts of actinides dissolved in solution on very thin films. The chamber was successfully tested and calibrated using 0.4 ng of 252Cf and mass distributions were compared to previous work. As a proof of concept, the chamber was then placed in the LSDS to measure, simultaneously, the neutron induced fission cross section and fragment mass and energy distributions of 24.9 μg of 235U. The mass distribution as a function of neutron energy was examined and it may be possible to see changes in the mass distribution as a function of neutron energy. This process will enable the measurement of isotopes that are not available in large enough quantities (sub-micrograms) or with small fission cross sections (μbarns). (authors)
International Nuclear Information System (INIS)
In this work, peraluminous glasses (lack of alkaline and alkaline earth ions regarding aluminum) are under study to assess the potentiality of these matrices to confine fission products and minor actinides (FPA) at higher rate than current R7T7 glass (18,5 wt % FPA). The first part of this work aims at studying the physical and chemical properties of complex peraluminous glasses containing increasing FPA rate (18.5 to 32 wt %) to compare them with the specifications. The very low crystallization tendency of complex glasses containing up to 22.5 wt % as well as the very good chemical durability observed are major assets. The other part focuses on the lanthanides incorporation in simplified glass compositions in the SiO2-B2O3-Al2O3-Na2O-CaO-Ln2O3 system (Ln = Nd or La). The glass homogeneity and devitrification tendency are investigated at different scales by XRD, SEM, TEM and structural techniques such as NMR (MAS, MQMAS, REDOR, HMQC, DHMQC) and neodymium optical spectroscopy that appear very powerful to determine the lanthanides structural role regarding aluminum and describe more precisely the structural organization of peraluminous network, as still unknown in such systems. The glass homogeneity was demonstrated in a large composition domain and new structural data were put in evidence at high lanthanides content. (author)
Theoretical Description of the Fission Process
International Nuclear Information System (INIS)
Advanced theoretical methods and high-performance computers may finally unlock the secrets of nuclear fission, a fundamental nuclear decay that is of great relevance to society. In this work, we studied the phenomenon of spontaneous fission using the symmetry-unrestricted nuclear density functional theory (DFT). Our results show that many observed properties of fissioning nuclei can be explained in terms of pathways in multidimensional collective space corresponding to different geometries of fission products. From the calculated collective potential and collective mass, we estimated spontaneous fission half-lives, and good agreement with experimental data was found. We also predicted a new phenomenon of trimodal spontaneous fission for some transfermium isotopes. Our calculations demonstrate that fission barriers of excited superheavy nuclei vary rapidly with particle number, pointing to the importance of shell effects even at large excitation energies. The results are consistent with recent experiments where superheavy elements were created by bombarding an actinide target with 48-calcium; yet even at high excitation energies, sizable fission barriers remained. Not only does this reveal clues about the conditions for creating new elements, it also provides a wider context for understanding other types of fission. Understanding of the fission process is crucial for many areas of science and technology. Fission governs existence of many transuranium elements, including the predicted long-lived superheavy species. In nuclear astrophysics, fission influences the formation of heavy elements on the final stages of the r-process in a very high neutron density environment. Fission applications are numerous. Improved understanding of the fission process will enable scientists to enhance the safety and reliability of the nation's nuclear stockpile and nuclear reactors. The deployment of a fleet of safe and efficient advanced reactors, which will also minimize radiotoxic
International Nuclear Information System (INIS)
Experimental studies of fast fission phenomena are presented. The paper is divided into three parts. In the first part, problems associated with fast fission processes are examined in terms of interaction potentials and a dynamic model is presented in which highly elastic collisions, the formation of compound nuclei and fast fission appear naturally. In the second part, a description is given of the experimental methods employed, the observations made and the preliminary interpretation of measurements suggesting the occurence of fast fission processes. In the third part, our dynamic model is incorporated in a general theory of the dissipative processes studied. This theory enables fluctuations associated with collective variables to be calculated. It is applied to highly inelastic collisions, to fast fission and to the fission dynamics of compound nuclei (for which a schematic representation is given). It is with these calculations that the main results of the second part can be interpreted
40 CFR 80.66 - Calculation of reformulated gasoline properties.
2010-07-01
... 40 Protection of Environment 16 2010-07-01 2010-07-01 false Calculation of reformulated gasoline... PROGRAMS (CONTINUED) REGULATION OF FUELS AND FUEL ADDITIVES Reformulated Gasoline § 80.66 Calculation of reformulated gasoline properties. (a) All volume measurements required by these regulations shall...
Oberstedt S.; Hambsch F.-J.; Tudora A.
2013-01-01
The correlation between the sub-barrier resonant behaviour of fission crosssection of non-fissile actinides (pre-scission stage) and the visible fluctuations of their fission fragment and prompt neutron data (post-scission stage) around the incident energies of sub-barrier resonances is outlined and supported by quantitative results for two fissioning systems 234,238U(n,f). These quantitative results refer to both stages of the fission process: a) The pre-scission stage including the calculat...
Photo-fission of 232Th and 238U at intermediate energies
Deppman, A.(Universidade de São Paulo (USP), São Paulo, Brazil); Andrade-II, E.; Guimaraes, V.; Demekhina, N. A.; Karapetyan, G. S.
2013-01-01
In this work we present an analysis of the yields of fission fragments induced by bremsstrahlung photons with endpoint energies of 50 and 3500 MeV on 232Th and 238U targets using the simulation code CRISP. A multimodal fission option was added to this code and an extension of the calculation to the properties of the fission products is presented. By dividing the fissioning nuclei according to their fissionability, an approach is introduced which accounts for the contribution of symmetric and ...
International Nuclear Information System (INIS)
A twin ionization chamber for fission fragment detection is described. The chamber allows to extract both, fast timing- and energy proportional signals. A time resolution of 1.62 ns FWHM was obtained between two fission fragments detected in the two halves of the chamber. For 241Am α-particles the chamber gave an energy resolution of 1.3 percent. As counting gas methane NTP was used
Calculation of structurally related properties of bulk and surface Si
International Nuclear Information System (INIS)
The self-consistent pseudopotential method is applied to study the bulk and surface structurally related properties of Si. Equilibrium configurations are determined by minimizing the total energy of the system; the calculated bulk properties and the surface relaxation of Si are found to be in good agreement with experiment. The surface energy and the surface reconstruction of Si are briefly discussed
Theoretical descriptions of neutron emission in fission
International Nuclear Information System (INIS)
Brief descriptions are given of the observables in neutron emission in fission together with early theoretical representations of two of these observables, namely, the prompt fission neutron spectrum N(E) and the average prompt neutron multiplicity bar νp. This is followed by summaries, together with examples, of modern approaches to the calculation of these two quantities. Here, emphasis is placed upon the predictability and accuracy of the new approaches. In particular, the dependencies of N(E) and bar νp upon the fissioning nucleus and its excitation energy are discussed. Then, recent work in multiple-chance fission and other recent work involving new measurements are presented and discussed. Following this, some properties of fission fragments are mentioned that must be better known and better understood in order to calculate N(E) and bar νp with higher accuracy than is currently possible. In conclusion, some measurements are recommended for the purpose of benchmarking simultaneous calculations of neutron emission and gamma emission in fission. 32 refs., 26 figs
Pomorski, Krzysztof; Ivanyuk, Fedir A
2016-01-01
The fission-fragments mass-yield of 236U is obtained by an approximate solution of the eigenvalue problem of the collective Hamiltonian that describes the dynamics of the fission process whose degrees of freedom are: the fission (elongation), the neck and the mass-asymmetry mode. The macroscopic-microscopic method is used to evaluate the potential energy surface. The macroscopic energy part is calculated using the liquid drop model and the microscopic corrections are obtained using the Woods-Saxon single-particle levels. The four dimensional modified Cassini ovals shape parametrization is used to describe the shape of the fissioning nucleus. The mass tensor is taken within the cranking-type approximation. The final fragment mass distribution is obtained by weighting the adiabatic density distribution in the collective space with the neck-dependent fission probability. The neck degree of freedom is found to play a significant role in determining that final fragment mass distribution.
Calculation of the neutron induced fission cross-section of 233Pa up to 20 MeV
International Nuclear Information System (INIS)
Since very recently, direct measurements of the 233Pa(n,f) cross-section are available in the energy range from 1.0 to 8.5 MeV. This has stimulated a new, self-consistent, neutron cross-section evaluation for the n+233Pa system, in the incident neutron energy range 0.01-20 MeV. Since higher fission chances are involved also the lighter Pa-isotopes had to be re-evaluated in a consistent manner. The results are quite different compared to earlier evaluation attempts. Since 233Pa is a key isotope in the thorium based fuel cycle the quality of its reaction cross-sections is important for the modeling of future advanced fuel and reactor concepts. The present status of the evaluated libraries is that they differ by a factor of two in the absolute fission cross-section and also in the threshold energy value
New calculation for the neutron-induced fission cross section of 233Pa between 1.0 and 3.0 MeV
International Nuclear Information System (INIS)
The 233Pa(n,f) cross section, a key ingredient for fast reactors and accelerators driven systems, was measured recently with relatively good accuracy [F. Tovesson et al., Phys. Rev. Lett. 88, 062502 (2002)]. The results are at strong variance with accepted evaluations and an existing indirect experiment. This circumstance led us to perform a quite detailed and complete evaluation of the 233Pa(n,f) cross section between 1.0 and 3.0 MeV, where use of our newly developed routines for the parametrization of the nuclear surface and the calculation of deformation parameters and level densities (including low-energy discrete levels) were made. The results show good quantitative and excellent qualitative agreement with the experimental direct data obtained by Tovesson et al. [F. Tovesson et al., Phys. Rev. Lett. 88, 062502 (2002)]. Additionally, our methodology opens new possibilities for the analysis of subthreshold fission and above threshold second-chance fission for both 233Pa and its decay product 233U, as well as other strategically important fissionable nuclides
International Nuclear Information System (INIS)
In this manual we describe the use of the FORIG computer code to solve isotope-generation and depletion problems in fusion and fission reactors. FORIG runs on a Cray-1 computer and accepts more extensive activation cross sections than ORIGEN2 from which it was adapted. This report is an updated and a combined version of the previous ORIGEN2 and FORIG manuals. 7 refs., 15 figs., 13 tabs
International Nuclear Information System (INIS)
Data are summed up necessary for determining the yields of individual fission products from different fissionable nuclides. Fractional independent yields, cumulative and isobaric yields are presented here for the thermal fission of 235U, 239Pu, 241Pu and for fast fission (approximately 1 MeV) of 235U, 238U, 239Pu, 241Pu; these values are included into the 5th version of the YIELDS library, supplementing the BIBFP library. A comparison is made of experimental data and possible improvements of calculational methods are suggested. (author)
Intermediate energy nuclear fission
International Nuclear Information System (INIS)
Nuclear fission has been investigated with the double-kinetic-energy method using silicon surface barrier detectors. Fragment energy correlation measurements have been made for U, Th and Bi with bremsstrahlung of 600 MeV maximum energy. Distributions of kinetic energy as a function of fragment mass are presented. The results are compared with earlier photofission data and in the case of bismuth, with calculations based on the liquid drop model. The binary fission process in U, Yb, Tb, Ce, La, Sb, Ag and Y induced by 600 MeV protons has been investigated yielding fission cross sections, fragment kinetic energies, angular correlations and mass distributions. Fission-spallation competition calculations are used to deduce values of macroscopic fission barrier heights and nuclear level density parameter values at deformations corresponding to the saddle point shapes. We find macroscopic fission barriers lower than those predicted by macroscopic theories. No indication is found of the Businaro Gallone limit expected to occur somewhere in the mass range A = 100 to A = 140. For Ce and La asymmetric mass distributions similar to those in the actinide region are found. A method is described for the analysis of angular correlations between complementary fission products. The description is mainly concerned with fission induced by medium-energy protons but is applicable also to other projectiles and energies. It is shown that the momentum and excitation energy distributions of cascade residuals leading to fission can be extracted. (Author)
International Nuclear Information System (INIS)
As part of the Initial Feasibility Study of the Fast Mixed Spectrum Reactor, a series of benchmark calculations were made to determine the sensitivity of the physics analysis to differences in methods and data. Argonne National Laboratory (ANL), the Massachusetts Institute of Technology (MIT), and Oak Ridge National Laboratory (ORNL) were invited to participate with Brookhaven National Laboratory in the analysis of a FMSR model prescribed by BNL. Detailed comparisons are made including a comprehensive study on the adequacy of the fission product treatments
International Nuclear Information System (INIS)
The results of experiments carried out at GSI Darmstadt, LBNL Berkeley and RIKEN Tokyo on the synthesis of superheavy nuclei of Z = 104–113 in cold fusion reactions have been analyzed within the fusion-by-diffusion (FBD) model by using the fission barriers, ground-state masses, shell effects and deformations calculated with the Warsaw macroscopic–microscopic model. An empirical parametrization of the injection-point distance has been established for this new theoretical input to the FBD model that enables one to reproduce existing data with reasonable accuracy and predict synthesis cross sections and optimum bombarding energies in as yet unexplored cold fusion reactions. (paper)
Calculating atomic and molecular properties using variational Monte Carlo methods
International Nuclear Information System (INIS)
The authors compute a number of properties for the 1 1S, 21S, and 23S states of helium as well as the ground states of H2 and H/+3 using Variational Monte Carlo. These are in good agreement with previous calculations (where available). Electric-response constants for the ground states of helium, H2 and H+3 are computed as derivatives of the total energy. The method used to calculate these quantities is discussed in detail
First-principles calculation of the thermal properties of silver
Xie, J.; de Gironcoli, S.; Baroni, S; Scheffler, M.
1998-01-01
The thermal properties of silver are calculated within the quasi-harmonic approximation, by using phonon dispersions from density-functional perturbation theory, and the pseudopotential plane-wave method. The resulting free energy provides predictions for the temperature dependence of various quantities such as the equilibrium lattice parameter, the bulk modulus, and the heat capacity. Our results for the thermal properties are in good agreement with available experimental data in a wide rang...
Influences of Zr, Ce and Ba fission products on the surface properties of UO2: Atomistic simulations
Xiao, Hongxing; Long, Chongsheng; Tian, Xiaofeng; Chen, Hongsheng
2016-07-01
Molecular dynamics (MD) simulations with a shell-core model have been carried out to investigate the influences of Zr, Ce and Ba fission products on the surface properties of UO2. Simulation results indicate that (i) the presence of these fission products will change the surface energy of three low-index surfaces in UO2; (ii) the individual addition of Ce has no significant effect on the surface energy, while the individual addition of Ba will dramatically decrease the surface energy of UO2 by approximately 18% on (100) surface, 7% on (110) surface and 9% on (111) surface with the Ba contents ranging from 0 to 12.5 mol% at 300 K, which is obviously contrary to the Zr; (iii) the combined additions of Zr, Ce and Ba fission products will continuously increase the surface energy of UO2 (100), (110) and (111) surfaces; (iv) the structures of the three low-index surfaces in pure UO2 as well as U0.8(Zr, Ce, Ba)0.2O2 are dramatically disturbed after the free relaxation; (v) The nearest O atoms move towards the Zr and Ce atoms center by about 0.21 Å and 0.12 Å but move away from the Ba atom center by about 0.27 Å.
The magnetic properties of collective states in A ∼ 100 fission fragments
International Nuclear Information System (INIS)
The magnetic moments of Iπ = 2+1 states in even-even A ∼ 100 fission fragments have been measured using the Gammasphere array, using the technique of time-integral perturbed angular correlations. The collective (core) g factors of several odd nuclei have also been determined. The data are interpreted within the context of the interacting boson model (IBA2)
International Nuclear Information System (INIS)
Delayed fission is a nuclear process that couples beta decay and fission. In the delayed fission process, a parent nucleus undergoes beta decay or electron capture and thus populates excited states in the daughter nucleus. This review covers experimental methods for detecting and measuring delayed fission. Experimental results (ECDF activities and beta-DF activities) and theory are presented. The future prospects for study of delayed fission are discussed. 50 refs., 8 figs., 2 tabs
Calculation of material properties and ray tracing in transformation media.
Schurig, D; Pendry, J B; Smith, D R
2006-10-16
Complex and interesting electromagnetic behavior can be found in spaces with non-flat topology. When considering the properties of an electromagnetic medium under an arbitrary coordinate transformation an alternative interpretation presents itself. The transformed material property tensors may be interpreted as a different set of material properties in a flat, Cartesian space. We describe the calculation of these material properties for coordinate transformations that describe spaces with spherical or cylindrical holes in them. The resulting material properties can then implement invisibility cloaks in flat space. We also describe a method for performing geometric ray tracing in these materials which are both inhomogeneous and anisotropic in their electric permittivity and magnetic permeability. PMID:19529371
Ternary fission of nuclei into comparable fragments
Energy Technology Data Exchange (ETDEWEB)
Karpeshin, F. F., E-mail: fkarpeshin@gmail.com [D.I. Mendeleev Institute forMetrology (VNIIM) (Russian Federation)
2015-07-15
The problem of nuclear fission into three comparable fragments is considered. A mechanism of true ternary fission is proposed. In contrast to sequential fission, where the three fragments arise upon two sequential events of binary fission, the mechanism in question relies on a scenario that originally involves fission into three fragments. This mechanism is driven by a hexadecapole deformation of the fissioning nucleus, in contrast to binary fission associated with quadrupole vibrations of the nuclear surface. The fragment-mass ratios are estimated. The dynamics of formation of collinear fragments and their subsequent motion in opposite directions is traced. The calculated probability of true ternary fission complies with observed values.
Ternary fission of nuclei into comparable fragments
International Nuclear Information System (INIS)
The problem of nuclear fission into three comparable fragments is considered. A mechanism of true ternary fission is proposed. In contrast to sequential fission, where the three fragments arise upon two sequential events of binary fission, the mechanism in question relies on a scenario that originally involves fission into three fragments. This mechanism is driven by a hexadecapole deformation of the fissioning nucleus, in contrast to binary fission associated with quadrupole vibrations of the nuclear surface. The fragment-mass ratios are estimated. The dynamics of formation of collinear fragments and their subsequent motion in opposite directions is traced. The calculated probability of true ternary fission complies with observed values
Energy Technology Data Exchange (ETDEWEB)
Mueller, Don E. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Marshall, William J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wagner, John C. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bowen, Douglas G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-09-01
The U.S. Nuclear Regulatory Commission (NRC) Division of Spent Fuel Storage and Transportation recently issued Interim Staff Guidance (ISG) 8, Revision 3. This ISG provides guidance for burnup credit (BUC) analyses supporting transport and storage of PWR pressurized water reactor (PWR) fuel in casks. Revision 3 includes guidance for addressing validation of criticality (k_{eff}) calculations crediting the presence of a limited set of fission products and minor actinides (FP&MA). Based on previous work documented in NUREG/CR-7109, recommendation 4 of ISG-8, Rev. 3, includes a recommendation to use 1.5 or 3% of the FP&MA worth to conservatively cover the bias due to the specified FP&MAs. This bias is supplementary to the bias and bias uncertainty resulting from validation of k_{eff} calculations for the major actinides in SNF and does not address extension to actinides and fission products beyond those identified herein. The work described in this report involves comparison of FP&MA worths calculated using SCALE and MCNP with ENDF/B-V, -VI, and -VII based nuclear data and supports use of the 1.5% FP&MA worth bias when either SCALE or MCNP codes are used for criticality calculations, provided the other conditions of the recommendation 4 are met. The method used in this report may also be applied to demonstrate the applicability of the 1.5% FP&MA worth bias to other codes using ENDF/B V, VI or VII based nuclear data. The method involves use of the applicant s computational method to generate FP&MA worths for a reference SNF cask model using specified spent fuel compositions. The applicant s FP&MA worths are then compared to reference values provided in this report. The applicants FP&MA worths should not exceed the reference results by more than 1.5% of the reference FP&MA worths.
Fission barriers and probabilities of spontaneous fission for elements with Z ≥ 100
Baran, A.; Kowal, M.; Reinhard, P.-G.; Robledo, L. M.; Staszczak, A.; Warda, M.
2015-12-01
This paper briefly reviews recent progress in theoretical studies on fission barriers and fission half-lives of even-even superheavy nuclei. We compare and discuss results obtained in the semi-classical macroscopic-microscopic approach, the self-consistent mean-field models with the Skyrme and Gogny energy density functionals and in the relativistic mean-field theory. A short part of the paper is devoted to the calculation of the mass parameters and nuclear fission dynamics. We also discuss the predictive power of Skyrme energy density functionals applied to key properties of the fission path of 266Hs. Standard techniques of error estimates in the framework of a χ2 analysis are applied.
International Nuclear Information System (INIS)
The fission process in which heavy nuclei fragment into three large charged panicles, in place of the usual two, has been studied in the case of thermal-neutron-induced fission of U235 and the spontaneous fission of Cf252. Solid-state detectors, a fast triple coincidence system and a three-coincident-parameter analyser were used to measure the three fission fragment energies parallel with the detection of each ternary fission event. Experimental evidence is presented supporting the existence of ternary fission by specifically excluding recoil phenomena and accidental events as contributing to the observed three-fold coincidence events. Mass-energy-angular correlations of ternary fission have been determined and are summarized as follows: The total kinetic energy release in ternary fission appears to be slightly higher (by approximately 10 MeV) than that for binary fission. In the case of the spontaneous ternary fission of Cf252, the frequency of occurrence is observed to be greater than 2.2 x 10-6 ternary fission events per binary fission event. Tripartition of Cf252 results preferentially in division into two medium mass particle (one of which has a mass number near 56) and one larger mass. In the case of thermal-neutron-induced fission of U235, the frequency of occurrence is observed to be greater than 1.2 x 10-6 ternary fission events per binary fission event. Ternary fission of U236: results in the formation of one light fragment (near mass 36) and two large fragments or, as in the case of Cf252, two medium fragments and one large one. These results indicate that axially asymmetric distortion modes are possible in the pre-scission configurations of the fissioning nucleus. A description is given of experiments designed to radiochemically detect the light fragment resulting from ternary fission. (author)
Coincident measurements of prompt fission γ rays and fission fragments at DANCE
Walker, C. L.; Baramsai, B.; Jandel, M.; Rusev, G.; Couture, A.; Mosby, S.; Ullmann, J.; Kawano, T.; Stetcu, I.; Talou, P.
2015-10-01
Modern statistical approaches to modeling fission involve the calculation of not only average quantities but also fully correlated distributions of all fission products. Applications such as those involving the detection of special nuclear materials also rely on fully correlated data of fission products. Experimental measurements of correlated data are thus critical to the validation of theory and the development of important applications. The goal of this experiment was to measure properties of prompt fission gamma-ray emission as a function of fission fragments' total kinetic energy in the spontaneous fission of 252Cf. The measurement was carried out at the Detector for Advanced Neutron Capture Experiments (DANCE), a 4 π γ-ray calorimeter. A prototype design consisting of two silicon detectors was installed in the center of DANCE, allowing simultaneous measurement of fission fragments and γ rays. Effort has been taken to simulate fragment kinetic energy losses as well as γ-ray attenuation in DANCE using such tools as GEANT4 and SRIM. Theoretical predictions generated by the code CGMF were also incorporated as input for these simulations. Results from the experiment and simulations will be presented, along with plans for future measurements.
Atomistic calculation of the thermoelectric properties of Si nanowires
Bejenari, Igor; Kratzer, Peter
2014-01-01
The thermoelectric properties of 1.6 nm-thick Si square nanowires with [100] crystalline orientation are calculated over a wide temperature range from 0 K to 1000 K, taking into account atomistic electron-phonon interaction. In our model, the [010] and [001] facets are passivated by hydrogen and there are Si-Si dimers on the nanowire surface. The electronic structure was calculated by using the sp^3 spin-orbit-coupled atomistic second-nearest-neighbor tight-binding model. The phonon dispersio...
Modelling the widths of fission observables in GEF
Directory of Open Access Journals (Sweden)
Schmidt K.-H.
2013-03-01
Full Text Available The widths of the mass distributions of the different fission channels are traced back to the probability distributions of the corresponding quantum oscillators that are coupled to the heat bath, which is formed by the intrinsic degrees of freedom of the fissioning system under the influence of pairing correlations and shell effects. Following conclusion from stochastic calculations of Adeev and Pashkevich, an early freezing due to dynamical effects is assumed. It is shown that the mass width of the fission channels in low-energy fission is strongly influenced by the zero-point motion of the corresponding quantum oscillator. The observed variation of the mass widths of the asymmetric fission channels with excitation energy is attributed to the energy-dependent properties of the heat bath and not to the population of excited states of the corresponding quantum oscillator.
Predicting the properties of the lead alloys from DFT calculations
International Nuclear Information System (INIS)
We provide qualitative results for the physical properties of the lead alloys at atomic scale by using DFT calculations. Our approach is based on the two assumptions: (i) the geometric structure of lead atoms provides a matrix where the alloying elements can take their positions in the structure as substitutions and (ii) there is a small probability of a direct interaction between the alloying elements, thus the interactions of each alloying element may be approximated by the interactions to the lead matrix. DFT calculations are used to investigate the interaction between several types of impurities and the lead matrix for low concentrations of the alloying element. We report results such as the enthalpy of formation, charge transfer and mechanical stress induced by the impurities in the lead matrix; these results can be used as qualitative guide in tuning the physico-chemical properties of the lead alloys
Predicting the properties of the lead alloys from DFT calculations
Energy Technology Data Exchange (ETDEWEB)
Buimaga-Iarinca, L., E-mail: luiza.iarinca@itim-cj.ro; Calborean, A. [National Institute for Research and Development of Isotopic and Molecular Technologies, 67-103 Donat, 400293 Cluj-Napoca (Romania)
2015-12-23
We provide qualitative results for the physical properties of the lead alloys at atomic scale by using DFT calculations. Our approach is based on the two assumptions: (i) the geometric structure of lead atoms provides a matrix where the alloying elements can take their positions in the structure as substitutions and (ii) there is a small probability of a direct interaction between the alloying elements, thus the interactions of each alloying element may be approximated by the interactions to the lead matrix. DFT calculations are used to investigate the interaction between several types of impurities and the lead matrix for low concentrations of the alloying element. We report results such as the enthalpy of formation, charge transfer and mechanical stress induced by the impurities in the lead matrix; these results can be used as qualitative guide in tuning the physico-chemical properties of the lead alloys.
Truchet, G.; Leconte, P.; Peneliau, Y.; Santamarina, A.; Malvagi, F.
2014-06-01
Pile-oscillation experiments are performed in the MINERVE reactor at the CEA Cadarache to improve nuclear data accuracy. In order to precisely calculate small reactivity variations (TRIPOLI-4® by using the eigenvalue difference method. This "direct" method has shown limitations in the evaluation of very small reactivity effects because it needs to reach a very small variance associated to the reactivity in both states. To answer this problem, it has been decided to implement the exact perturbation theory in TRIPOLI-4® and, consequently, to calculate a continuous-energy adjoint flux. The Iterated Fission Probability (IFP) method was chosen because it has shown great results in some other Monte Carlo codes. The IFP method uses a forward calculation to compute the adjoint flux, and consequently, it does not rely on complex code modifications but on the physical definition of the adjoint flux as a phase-space neutron importance. In the first part of this paper, the IFP method implemented in TRIPOLI-4® is described. To illustrate the effciency of the method, several adjoint fluxes are calculated and compared with their equivalent obtained by the deterministic code APOLLO-2. The new implementation can calculate angular adjoint flux. In the second part, a procedure to carry out an exact perturbation calculation is described. A single cell benchmark has been used to test the accuracy of the method, compared with the "direct" estimation of the perturbation. Once again the method based on the IFP shows good agreement for a calculation time far more inferior to the "direct" method. The main advantage of the method is that the relative accuracy of the reactivity variation does not depend on the magnitude of the variation itself, which allows us to calculate very small reactivity perturbations with high precision. Other applications of this perturbation method are presented and tested like the calculation of exact kinetic parameters (βeff, Λeff) or sensitivity parameters.
International Nuclear Information System (INIS)
Uranium dioxide (UO2) is worldwide the most widely used fuel in nuclear plants in the world and in particular in pressurized water reactors (PWR). In-pile the fission of uranium nuclei creates fission products and point defects in the fuel. The understanding of the evolution of these radiation damages requires a multi-scale modelling approach of the nuclear fuel, from the scale of the pellet to the atomic scale. We used an electronic structure calculation method based on the density functional theory (DFT) to model radiation damage in UO2 at the atomic scale. A Hubbard-type Coulomb interaction term is added to the standard DFT formalism to take into account the strong correlations of the 5f electrons in UO2. This method is used to study point defects with various charge states and the incorporation and diffusion of krypton in uranium dioxide. This study allowed us to obtain essential data for higher scale models but also to interpret experimental results. In parallel of this study, three ways to improve the state of the art of electronic structure calculations of UO2 have been explored: the consideration of the spin-orbit coupling neglected in current point defect calculations, the application of functionals allowing one to take into account the non-local interactions such as van der Waals interactions important for rare gases and the use of the Dynamical Mean Field Theory combined to the DFT method in order to take into account the dynamical effects in the 5f electron correlations. (author)
International Nuclear Information System (INIS)
The nuclear fission process is pedagogically reviewed from a macroscopic-microscopic point of view. The Droplet model is considered. The fission dynamics is discussed utilizing path integrals and semiclassical methods. (L.C.)
Spontaneous fission. A many-body approach
Energy Technology Data Exchange (ETDEWEB)
Iwamoto, Akira; Bonasera, A. [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
1997-03-01
We propose new model to calculate the fission phenomena in tunnel region. By the Vlasov equation and the imaginary time method, we could calculate actinides nuclear fission. This method makes possible to describe unified the motion of fission inside and outside of potential wall. The potential energy and mass parameters can be calculated by no means of the special model. The freedom of internal motion are calculated automatically both collective and a particle motion. Accordingly, particle released during fission process can be calculated. The kinetic energy of fragment after fission was very agreeable with the calculation results. (S.Y.)
Atomistic calculation of the thermoelectric properties of Si nanowires
Bejenari, I.; Kratzer, P.
2014-07-01
The thermoelectric properties of 1.6-nm-thick Si square nanowires with [100] crystalline orientation are calculated over a wide temperature range from 0 K to 1000 K, taking into account atomistic electron-phonon interaction. In our model, the [010] and [001] facets are passivated by hydrogen and there are Si-Si dimers on the nanowire surface. The electronic structure was calculated by using the sp3 spin-orbit-coupled atomistic second-nearest-neighbor tight-binding model. The phonon dispersion was calculated from a valence force field model of the Brenner type. A scheme for calculating electron-phonon matrix elements from a second-nearest-neighbor tight-binding model is presented. Based on Fermi's golden rule, the electron-phonon transition rate was obtained by combining the electron and phonon eigenstates. Both elastic and inelastic scattering processes are taken into consideration. The temperature dependence of transport characteristics was calculated by using a solution of the linearized Boltzmann transport equation obtained by means of the iterative orthomin method. At room temperature, the electron mobility is 195 cm2 V-1 s-1 and increases with temperature, while a figure of merit ZT =0.38 is reached for n-type doping with a concentration of n =1019 cm-3.
Measurement of fission products β decay properties using a total absorption spectrometer
Zakari-Issoufou, A.-A.; Porta, A.; Fallot, M.; Algora, A.; Tain, J. L.; Valencia, E.; Rice, S.; Agramunt, J.; Äystö, J.; Bowry, M.; Bui, V. M.; Caballero-Folch, R.; Cano-Ott, D.; Eloma, V.; Estévez, E.; Farrelly, G. F.; Garcia, A.; Gelletly, W.; Gomez-Hornillos, M. B.; Gorlychev, V.; Hakala, J.; Jokinen, A.; Jordan, M. D.; Kankainen, A.; Kondev, F. G.; Martinez, T.; Mendoza, E.; Molina, F.; Moore, I.; Perez, A.; Podolyak, Zs.; Penttilä, H.; Regan, P. H.; Rissanen, J.; Rubio, B.; Weber, C.
2013-12-01
In a nuclear reactor, the β decay of fission fragments is at the origin of decay heat and antineutrino flux. These quantities are not well known while they are very important for reactor safety and for our understanding of neutrino physics. One reason for the discrepancies observed in the estimation of the decay heat and antineutrinos flux coming from reactors could be linked with the Pandemonium effect. New measurements have been performed at the JYFL facility of Jyväskylä with a Total Absorption Spectrometer (TAS) in order to circumvent this effect. An overview of the TAS technique and first results from the 2009 measurement campaign will be presented.
Extended optical model for fission
Sin, M.; Capote, R.; Herman, M. W.; Trkov, A.
2016-03-01
A comprehensive formalism to calculate fission cross sections based on the extension of the optical model for fission is presented. It can be used for description of nuclear reactions on actinides featuring multi-humped fission barriers with partial absorption in the wells and direct transmission through discrete and continuum fission channels. The formalism describes the gross fluctuations observed in the fission probability due to vibrational resonances, and can be easily implemented in existing statistical reaction model codes. The extended optical model for fission is applied for neutron induced fission cross-section calculations on 234,235,238U and 239Pu targets. A triple-humped fission barrier is used for U,235234(n ,f ) , while a double-humped fission barrier is used for 238U(n ,f ) and 239Pu(n ,f ) reactions as predicted by theoretical barrier calculations. The impact of partial damping of class-II/III states, and of direct transmission through discrete and continuum fission channels, is shown to be critical for a proper description of the measured fission cross sections for 234,235,238U(n ,f ) reactions. The 239Pu(n ,f ) reaction can be calculated in the complete damping approximation. Calculated cross sections for U,238235(n ,f ) and 239Pu(n ,f ) reactions agree within 3% with the corresponding cross sections derived within the Neutron Standards least-squares fit of available experimental data. The extended optical model for fission can be used for both theoretical fission studies and nuclear data evaluation.
International Nuclear Information System (INIS)
V.M. STRUTINSKY's semi-classical method is the most precise to determine the energy of the different states along the fission way. The double-humped fission barrier explains fission isomerism. V.M. STRUTINSKY's barrier explains the ''intermediate structure'' observed in the cross section under the threshold; it provides also the observed effect of ''vibrational resonances'' with an interpretation. Taking an asymmetry parameter in consideration, a triple-humped fission barrier seems to be essential now for the light actinides. There is still a microscopic fission barrier to be explained
Property-optimized Gaussian basis sets for molecular response calculations
Rappoport, Dmitrij; Furche, Filipp
2010-10-01
With recent advances in electronic structure methods, first-principles calculations of electronic response properties, such as linear and nonlinear polarizabilities, have become possible for molecules with more than 100 atoms. Basis set incompleteness is typically the main source of error in such calculations since traditional diffuse augmented basis sets are too costly to use or suffer from near linear dependence. To address this problem, we construct the first comprehensive set of property-optimized augmented basis sets for elements H-Rn except lanthanides. The new basis sets build on the Karlsruhe segmented contracted basis sets of split-valence to quadruple-zeta valence quality and add a small number of moderately diffuse basis functions. The exponents are determined variationally by maximization of atomic Hartree-Fock polarizabilities using analytical derivative methods. The performance of the resulting basis sets is assessed using a set of 313 molecular static Hartree-Fock polarizabilities. The mean absolute basis set errors are 3.6%, 1.1%, and 0.3% for property-optimized basis sets of split-valence, triple-zeta, and quadruple-zeta valence quality, respectively. Density functional and second-order Møller-Plesset polarizabilities show similar basis set convergence. We demonstrate the efficiency of our basis sets by computing static polarizabilities of icosahedral fullerenes up to C720 using hybrid density functional theory.
Microscopic Description of Nuclear Fission Dynamics
Umar, A. S.; Oberacker, V. E.; Maruhn, J. A.; Reinhard, P.-G.
2010-01-01
We discuss possible avenues to study fission dynamics starting from a time-dependent mean-field approach. Previous attempts to study fission dynamics using the time-dependent Hartree-Fock (TDHF) theory are analyzed. We argue that different initial conditions may be needed to describe fission dynamics depending on the specifics of the fission phenomenon and propose various approaches towards this goal. In particular, we provide preliminary calculations for studying fission following a heavy-io...
Efficient calculation of dissipative quantum transport properties in semiconductor nanostructures
Energy Technology Data Exchange (ETDEWEB)
Greck, Peter
2012-11-26
We present a novel quantum transport method that follows the non-equilibrium Green's function (NEGF) framework but side steps any self-consistent calculation of lesser self-energies by replacing them by a quasi-equilibrium expression. We termed this method the multi-scattering Buettiker-Probe (MSB) method. It generalizes the so-called Buettiker-Probe model but takes into account all relevant individual scattering mechanisms. It is orders of magnitude more efficient than a fully selfconsistent non-equilibrium Green's function calculation for realistic devices, yet accurately reproduces the results of the latter method as well as experimental data. This method is fairly easy to implement and opens the path towards realistic three-dimensional quantum transport calculations. In this work, we review the fundamentals of the non-equilibrium Green's function formalism for quantum transport calculations. Then, we introduce our novel MSB method after briefly reviewing the original Buettiker-Probe model. Finally, we compare the results of the MSB method to NEGF calculations as well as to experimental data. In particular, we calculate quantum transport properties of quantum cascade lasers in the terahertz (THz) and the mid-infrared (MIR) spectral domain. With a device optimization algorithm based upon the MSB method, we propose a novel THz quantum cascade laser design. It uses a two-well period with alternating barrier heights and complete carrier thermalization for the majority of the carriers within each period. We predict THz laser operation for temperatures up to 250 K implying a new temperature record.
Non-Equilibrium Properties from Equilibrium Free Energy Calculations
Pohorille, Andrew; Wilson, Michael A.
2012-01-01
Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.
Fission yields in the thermal neutron fission of plutonium-239
International Nuclear Information System (INIS)
Fission yields for 27 mass numbers were determined in the thermal neutron fission of 239Pu using high resolution gamma ray spectrometry and radiochemical method. The results obtained using gamma ray spectrometry and from the investigations on the fission yield of 99Mo using radiochemical method were reported earlier. These data along with fission yields for 19 mass numbers determined using radiochemical method formed a part of Ph.D. thesis. The data given here are a compilation of all the results and are presented considering the neutron temperature correction to 239Pu fission cross-section which is used for calculating the total number of fissions in these studies. A comparison is made of the resulting fission yield values with the latest experimentally determined values and those given in two recent compilations. (author)
International Nuclear Information System (INIS)
A mass transfer coefficient (kla) and an axial effective diffusivity (De) of U in the separation of U from fission products using ion exchange method have been calculated. In this separation process, mass transfer of uranium occurs in the liquid and solid phases. Mathematical model calculation is started by setting up mass balances on an element volume in the ion exchange column which can be assumed to have a similarity to the above process. The set up differential equations (in the form of simultaneous differential equations) are then solved using numerical analysis method. It is started by predicting the (kla) value to obtain the uranium concentrations as a function of distance and time, CA1(x,t) and XA1(x,t). Both the resulted concentrations of uranium and the predicted kla are used to calculate De and concentrations of uranium in the liquid, CA2(x,t) and solid phases, XA2(x,t). The resulted concentrations of uranium are then compared with the concentrations of uranium in the previous calculation. Both the kla and De values can be accepted if the difference between the concentrations resulted from both the calculations are similar or nearly equal, i.e the concentration difference performed by sum of squares of errors (SSE) is minimum (nearly zero). For the superficial linear velocity of about 20-40 cm/minute the results from the calculations are kl a= 15.18588 -20. 48588 per minute and De = 9.14117x10-4 - 1.11612x10-3 cm2/minute. The sum of squares of errors and the average relative error on the condition above are about 2.25117.10-9 - 3.98145x10-9 and 11,541% -25.981%
High-accuracy coupled cluster calculations of atomic properties
International Nuclear Information System (INIS)
The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm−1, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues
Neutron-induced fission: properties of prompt neutron and γ rays as a function of incident energy
Stetcu, I.; Talou, P.; Kawano, T.
2016-06-01
We have applied the Hauser-Feshbach statistical theory, in a Monte-Carlo implementation, to the de-excitation of fission fragments, obtaining a reasonable description of the characteristics of neutrons and gamma rays emitted before beta decays toward stability. Originally implemented for the spontaneous fission of 252Cf and the neutroninduced fission of 235U and 239Pu at thermal neutron energy, in this contribution we discuss the extension of the formalism to incident neutron energies up to 20 MeV. For the emission of pre-fission neutrons, at incident energies beyond second-chance fission, we take into account both the pre-equilibrium and statistical pre-fission components. Phenomenological parameterizations of mass, charge and TKE yields are used to obtain the initial conditions for the fission fragments that subsequently decay via neutron and emissions. We illustrate this approach for 239Pu(n,f).
Measurement of fission products β decay properties using a total absorption spectrometer
Directory of Open Access Journals (Sweden)
Zakari-Issoufou A.-A.
2013-12-01
Full Text Available In a nuclear reactor, the β decay of fission fragments is at the origin of decay heat and antineutrino flux. These quantities are not well known while they are very important for reactor safety and for our understanding of neutrino physics. One reason for the discrepancies observed in the estimation of the decay heat and antineutrinos flux coming from reactors could be linked with the Pandemonium effect. New measurements have been performed at the JYFL facility of Jyväskylä with a Total Absorption Spectrometer (TAS in order to circumvent this effect. An overview of the TAS technique and first results from the 2009 measurement campaign will be presented.
New fission valley for 258Fm and nuclei beyond
International Nuclear Information System (INIS)
Experimental results on the fission properties of nuclei close to 264Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus 258Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic energy peaked at about 235 MeV whereas 256Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic energy peaked at about 200 MeV. Qualitatively, these sudden changes hve been postulated to be due to the emergence of fragment shells in symmetric fission products close to 132Sn. A quantitative calculation 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. The implications of the new fission valley on the stability of the heaviest elements is discussed. 33 refs., 12 figs
Nuclear-fission studies with relativistic secondary beams: analysis of fission channels
Boeckstiegel, C.; Steinhaeuser, S.; Schmidt, K.-H.; Clerc, H. -G.; Grewe, A.; Heinz, A.; de Jong, M; JUNGHANS A. R.; Mueller, J.; Voss, B.
2007-01-01
Nuclear fission of several neutron-deficient actinides and pre-actinides from excitation energies around 11 MeV was studied at GSI Darmstadt by use of relativistic secondary beams. The characteristics of multimodal fission of nuclei around 226Th are systematically investigated and interpreted as the superposition of three fission channels. Properties of these fission channels have been determined for 15 systems. A global view on the properties of fission channels including previous results is...
International Nuclear Information System (INIS)
The theoretical and adjusted Watt spectrum representations for 235U are used as weighting functions to calculate Keff and θf28/θf25 for the benchmark Godiva. The results obtained show that the values of Keff and θf28/θf25 are not affected by spectrum form change. (author)
Energy Technology Data Exchange (ETDEWEB)
Lee, C.E.; Apperson, C.E. Jr.; Foley, J.E.
1976-10-01
The report describes an analytic containment building model that is used for calculating the leakage into the environment of each isotope of an arbitrary radioactive decay chain. The model accounts for the source, the buildup, the decay, the cleanup, and the leakage of isotopes that are gas-borne inside the containment building.
International Nuclear Information System (INIS)
The report describes an analytic containment building model that is used for calculating the leakage into the environment of each isotope of an arbitrary radioactive decay chain. The model accounts for the source, the buildup, the decay, the cleanup, and the leakage of isotopes that are gas-borne inside the containment building
Effect of inertia parameters on static fission path
International Nuclear Information System (INIS)
Properties of static (minimum potential) fission path in the formalism of Hofmann are investigated. It is pointed out that the inertial parameters greatly affect the fission path and hence the penetrability. The difficulty of determining fission path is discussed
International conference on fifty years research in nuclear fission
International Nuclear Information System (INIS)
These proceedings contain extended abstracts of the papers presented at the named conference. They deal with static properties of fission, instrumentation for fission studies, fission in compound-nucleus reactions, fission dynamics, fission-like heavy ion reactions, and fusion reactions. See hints under the relevant topics. (HSI)
International Nuclear Information System (INIS)
Purified Cyanex 301 which contains >99% bis(2,4,4-trimethylpentyl)dithio-phosphinic acid (HBTMPDTP) shows high extraction selectivity toward Am3+ over light lanthanides (Lns). In a bench scale 4 stage cross-flow hot test, 99.999% of Am in Am+Lns fraction obtained from a hot experiment of the TRPO extraction of a real HAW was extracted while only 3% Lns was co-extracted. The average separation factor of Am over FPLns is about 3500. An empirical distribution ratio model for Am and Lns in HBTMPDTP extraction and a method of countercurrent extraction process parameter calculation were established and the results of calculation were verified with tracer amount of 241Am and macro amount of Lns. For an Am+Lns fraction with typical PWR HAW composition, the calculated results show that a five stage countercurrent HBTMPDTP extraction process without scrubbing can get a separation of Am from Lns of 106 and a separation of Lns from Am of 700. (author)
Möller, Peter; Ichikawa, Takatoshi
2015-12-01
We propose a method to calculate the two-dimensional (2D) fission-fragment yield Y(Z,N) versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use the Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment Q2), neck d , left nascent fragment spheroidal deformation ɛ_{f1}, right nascent fragment deformation ɛ_{f2} and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of Z and N of the compound system and its shape, including the asymmetry of the shape. We outline here how to generalize the model from the "compound-system" model to a model where the emerging fragment proton and neutron numbers also enter, over and above the compound system composition.
Energy Technology Data Exchange (ETDEWEB)
Moeller, Peter [Los Alamos National Laboratory, Theoretical Division, Los Alamos, NM (United States); Ichikawa, Takatoshi [Kyoto University, Yukawa Institute for Theoretical Physics, Kyoto (Japan)
2015-12-15
We propose a method to calculate the two-dimensional (2D) fission-fragment yield Y(Z,N) versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use the Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment Q{sub 2}), neck d, left nascent fragment spheroidal deformation ε{sub f1}, right nascent fragment deformation ε{sub f2} and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of Z and N of the compound system and its shape, including the asymmetry of the shape. We outline here how to generalize the model from the ''compound-system'' model to a model where the emerging fragment proton and neutron numbers also enter, over and above the compound system composition. (orig.)
International Nuclear Information System (INIS)
We propose a method to calculate the two-dimensional (2D) fission-fragment yield Y(Z,N) versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use the Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment Q2), neck d, left nascent fragment spheroidal deformation εf1, right nascent fragment deformation εf2 and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of Z and N of the compound system and its shape, including the asymmetry of the shape. We outline here how to generalize the model from the ''compound-system'' model to a model where the emerging fragment proton and neutron numbers also enter, over and above the compound system composition. (orig.)
Moller, P
2015-01-01
We propose a method to calculate the two-dimensional (2D) fission-fragment yield $Y(Z,N)$ versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment $Q_2$), neck $d$, left nascent fragment spheroidal deformation $\\epsilon_{\\rm f1}$, right nascent fragment deformation $\\epsilon_{\\rm f2}$ and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of $Z$ and $N$ of the compound system and its shape, including the asymmetry of the shape. We ou...
International Nuclear Information System (INIS)
ORIGEN-S computes time-dependent concentrations and source terms of a large number of isotopes, which are simultaneously generated or depleted through neutronic transmutation, fission, radioactive decay, input feed rates and physical or chemical removal rates. The calculations may pertain to fuel irradiation within nuclear reactors, or the storage, management, transportation or subsequent chemical processing of removed fuel elements. The matrix exponential expansion model of the ORIGEN code is unaltered in ORIGEN-S. Essentially all features of ORIGEN were retained, expanded or supplemented within new computations. The primary objective of ORIGEN-S, as requested by the Nuclear Regulatory Commission, is that the calculations may utilize the multi-energy-group cross sections from any currently processed standardized ENDF/B data base. This purpose has been implemented through the prior execution of codes within either the SCALE System or the AMPX System, developed at the Oak Ridge National Laboratory. These codes compute flux-weighted cross sections, simulating conditions within any given reactor fuel assembly, and convert the data into a library that can be input to ORIGEN-S. Time-dependent libraries may be produced, reflecting fuel composition variations during irradiation. Presented in the document are: detailed and condensed input instructions, model theory, features available, range of applicability, brief subroutine descriptions, sample input, and I/O requirements
International Nuclear Information System (INIS)
The inventory estimation of long-lived fission products (LLFP) is essential for the long-term safety assessment of a geological disposal of high-level radioactive waste (HLW). 79Se and 135Cs are a main contributor to the total dose from the geological repository of HLW, owing to their solubility in the strata. In this study, the post-irradiation experimental data of LLFPs, such as 79Se, 99Tc, 126Sn and 135Cs, were compared with ORIGEN2 calculation using the data library of JENDL-3.3. A fragment of the UO2 fuel pellet irradiated in a commercial Japanese PWR was dissolved with nitric acid in a hot cell. The resultant solution was filtered to remove insoluble residue. After Se, Tc, Sn, and Cs were chemically separated, the concentrations of 79Se, 99Tc, 126Sn and 135Cs were determined with an inductively coupled plasma quadruple mass spectrometer (ICP-QMS). The concentration of 79Se, 99Tc, 126Sn and 135Cs in the sample solution were 0.78±0.22, 101±24, 3.2±0.6, and 68±6.0 ng/g of the sample solution (ng/g-sol), respectively. The results for 79Se and 135Cs obtained in this study showed good agreement with those obtained through ORIGEN2 calculation. This indicates that ORIGEN2 calculation is applicable to the estimation of the amounts of 79Se and 135Cs generated during irradiation. In contrast, the experimentally determined concentration of 99Tc and 126Sn were equivalent to approximately 70% and 60%, respectively, of those obtained through ORIGEN2 calculation. (author)
Calculation of the radiative properties of photosynthetic microorganisms
Dauchet, Jérémi; Blanco, Stéphane; Cornet, Jean-François; Fournier, Richard
2015-08-01
A generic methodological chain for the predictive calculation of the light-scattering and absorption properties of photosynthetic microorganisms within the visible spectrum is presented here. This methodology has been developed in order to provide the radiative properties needed for the analysis of radiative transfer within photobioreactor processes, with a view to enable their optimization for large-scale sustainable production of chemicals for energy and chemistry. It gathers an electromagnetic model of light-particle interaction along with detailed and validated protocols for the determination of input parameters: morphological and structural characteristics of the studied microorganisms as well as their photosynthetic-pigment content. The microorganisms are described as homogeneous equivalent-particles whose shape and size distribution is characterized by image analysis. The imaginary part of their refractive index is obtained thanks to a new and quite extended database of the in vivo absorption spectra of photosynthetic pigments (that is made available to the reader). The real part of the refractive index is then calculated by using the singly subtractive Kramers-Krönig approximation, for which the anchor point is determined with the Bruggeman mixing rule, based on the volume fraction of the microorganism internal-structures and their refractive indices (extracted from a database). Afterwards, the radiative properties are estimated using the Schiff approximation for spheroidal or cylindrical particles, as a first step toward the description of the complexity and diversity of the shapes encountered within the microbial world. Finally, these predictive results are confronted to experimental normal-hemispherical transmittance spectra for validation. This entire procedure is implemented for Rhodospirillum rubrum, Arthrospira platensis and Chlamydomonas reinhardtii, each representative of the main three kinds of photosynthetic microorganisms, i.e. respectively
Calculation of the radiative properties of photosynthetic microorganisms
International Nuclear Information System (INIS)
A generic methodological chain for the predictive calculation of the light-scattering and absorption properties of photosynthetic microorganisms within the visible spectrum is presented here. This methodology has been developed in order to provide the radiative properties needed for the analysis of radiative transfer within photobioreactor processes, with a view to enable their optimization for large-scale sustainable production of chemicals for energy and chemistry. It gathers an electromagnetic model of light-particle interaction along with detailed and validated protocols for the determination of input parameters: morphological and structural characteristics of the studied microorganisms as well as their photosynthetic-pigment content. The microorganisms are described as homogeneous equivalent-particles whose shape and size distribution is characterized by image analysis. The imaginary part of their refractive index is obtained thanks to a new and quite extended database of the in vivo absorption spectra of photosynthetic pigments (that is made available to the reader). The real part of the refractive index is then calculated by using the singly subtractive Kramers–Krönig approximation, for which the anchor point is determined with the Bruggeman mixing rule, based on the volume fraction of the microorganism internal-structures and their refractive indices (extracted from a database). Afterwards, the radiative properties are estimated using the Schiff approximation for spheroidal or cylindrical particles, as a first step toward the description of the complexity and diversity of the shapes encountered within the microbial world. Finally, these predictive results are confronted to experimental normal-hemispherical transmittance spectra for validation. This entire procedure is implemented for Rhodospirillum rubrum, Arthrospira platensis and Chlamydomonas reinhardtii, each representative of the main three kinds of photosynthetic microorganisms, i.e. respectively
Properties of African Cassava Mosaic Virus Capsid Protein Expressed in Fission Yeast.
Hipp, Katharina; Schäfer, Benjamin; Kepp, Gabi; Jeske, Holger
2016-01-01
The capsid proteins (CPs) of geminiviruses combine multiple functions for packaging the single-stranded viral genome, insect transmission and shuttling between the nucleus and the cytoplasm. African cassava mosaic virus (ACMV) CP was expressed in fission yeast, and purified by SDS gel electrophoresis. After tryptic digestion of this protein, mass spectrometry covered 85% of the amino acid sequence and detected three N-terminal phosphorylation sites (threonine 12, serines 25 and 62). Differential centrifugation of cell extracts separated the CP into two fractions, the supernatant and pellet. Upon isopycnic centrifugation of the supernatant, most of the CP accumulated at densities typical for free proteins, whereas the CP in the pellet fraction showed a partial binding to nucleic acids. Size-exclusion chromatography of the supernatant CP indicated high order complexes. In DNA binding assays, supernatant CP accelerated the migration of ssDNA in agarose gels, which is a first hint for particle formation. Correspondingly, CP shifted ssDNA to the expected densities of virus particles upon isopycnic centrifugation. Nevertheless, electron microscopy did not reveal any twin particles, which are characteristic for geminiviruses. PMID:27399762
Fragment properties from fission of 234,238U induced by 6 -10 MeV bremsstrahlung
International Nuclear Information System (INIS)
Experiments to investigate the photon-induced fission of actinide nuclei at excitation energies in the vicinity of the fission barrier are carried out at the super conducting Darmstadt linear electron accelerator S-DALINAC. A twin Frisch grid ionization chamber is used to deduce mass, total kinetic energy, and angular distributions of the fission fragments. In this contribution results on fission fragment mass and total kinetic energy distributions from 234,238U are presented along with the currently on-going investigation of 234U and 232Th fragment angular distributions.
Calculation of RF Properties of the Third Harmonic Cavity
Rothemund, K; Van Rienen, U
2004-01-01
Recently a third harmonic structure has been proposed for the injector of the TTF-FEL to avoid nonlinear distortions in the longitudinal phase space. This structure, consists of four nine cell TESLA-like cavities. For the use of this structure in combination with the TTF-FEL it might be interesting to investigate higher order modes (HOM) in the structure and their effect on the beam dynamics. The complexity of the structure, four nine cell cavities assembled with four input couplers and eight HOM-couplers, results in an extremely high numerical effort for full 3D modelling. Therefor Coupled S-Parameter Calculation (CSC) [1] has been applied. This method is based on the scattering parameter description of the rf components found with field solving codes or analytically for components of special symmetry. This paper presents the results of the calculation of rf properties (e.g. scattering parameters, Q-values) of the complete four times nine cell structure equipped with all input- and HOM-couplers.
General Description of Fission Observables: GEF Model Code
Schmidt, K.-H.; Jurado, B.; Amouroux, C.; Schmitt, C.
2016-01-01
consistent with the collective enhancement of the level density. The exchange of excitation energy and nucleons between the nascent fragments on the way from saddle to scission is estimated according to statistical mechanics. As a result, excitation energy and unpaired nucleons are predominantly transferred to the heavy fragment in the superfluid regime. This description reproduces some rather peculiar observed features of the prompt-neutron multiplicities and of the even-odd effect in fission-fragment Z distributions. For completeness, some conventional descriptions are used for calculating pre-equilibrium emission, fission probabilities and statistical emission of neutrons and gamma radiation from the excited fragments. Preference is given to simple models that can also be applied to exotic nuclei compared to more sophisticated models that need precise empirical input of nuclear properties, e.g. spectroscopic information. The approach reveals a high degree of regularity and provides a considerable insight into the physics of the fission process. Fission observables can be calculated with a precision that complies with the needs for applications in nuclear technology without specific adjustments to measured data of individual systems. The GEF executable runs out of the box with no need for entering any empirical data. This unique feature is of valuable importance, because the number of systems and energies of potential significance for fundamental and applied science will never be possible to be measured. The relevance of the approach for examining the consistency of experimental results and for evaluating nuclear data is demonstrated.
Fission dynamics within time-dependent Hartree-Fock: Deformation-induced fission
Rios Huguet, A; Stevenson, PD; Goddard, P.
2015-01-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus, and the daughter products. Purpose: To explore the ability of dynamic mean-field methods to describe fast fission processes beyond the fission barrier, using the nuclide $^{240}$Pu as an example. Met...
Segre, Emilio
1950-11-22
The first attempt to discover spontaneous fission in uranium was made by [Willard] Libby, who, however, failed to detect it on account of the smallness of effect. In 1940, [K. A.] Petrzhak and [G. N.] Flerov, using more sensitive methods, discovered spontaneous fission in uranium and gave some rough estimates of the spontaneous fission decay constant of this substance. Subsequently, extensive experimental work on the subject has been performed by several investigators and will be quoted in the various sections. [N.] Bohr and [A.] Wheeler have given a theory of the effect based on the usual ideas of penetration of potential barriers. On this project spontaneous fission has been studied for the past several years in an effort to obtain a complete picture of the phenomenon. For this purpose the spontaneous fission decay constants {lambda} have been measured for separated isotopes of the heavy elements wherever possible. Moreover, the number {nu} of neutrons emitted per fission has been measured wherever feasible, and other characteristics of the spontaneous fission process have been studied. This report summarizes the spontaneous fission work done at Los Alamos up to January 1, 1945. A chronological record of the work is contained in the Los Alamos monthly reports.
Transport of fission products in matrix and graphite
International Nuclear Information System (INIS)
In the past years new experimental methods were applied to or developed for the investigation of fission product transport in graphitic materials and to characterization of the materials. Models for fission product transport and computer codes for the calculation of core release rates were improved. Many data became available from analysis of concentration profiles in HTR-fuel elements. New work on the effect on diffusion of graphite corrosion, fast neutron flux and fluence, heat treatment, chemical interactions and helium pressure was reported on recently or was in progress in several laboratories. It seemed to be the right time to discuss the status of transport of metallic fission products in general, and in particular the relationship between structural and transport properties. Following a suggestion a Colloquium was organized at the HMI Berlin. Interdisciplinary discussions were stimulated by only inviting a limited number of participants who work in different fields of graphite and fission product transport research. (orig./RW)
Fission in Rapidly Rotating Nuclei
Directory of Open Access Journals (Sweden)
A. K. Rhine Kumar
2014-02-01
Full Text Available We study the effect of rotation in fission of the atomic nucleus 256Fm using an independent-particle shell model with the mean field represented by a deformed Woods-Saxon potential and the shapes defined through the Cassinian oval parametrization. The variations of barrier height with increasing angular momentum, appearance of double hump in fission path are analysed. Our calculations explain the appearance of double hump in fission path of 256Fm nucleus. The second minimum vanishes with increase in angular momentum which hints that the fission barrier disappears at large spin.
Fission Dynamics of Compound Nuclei
Iwata, Yoritaka; Heinz, Sophia
2012-01-01
Collisions between $^{248}$Cm and $^{48}$Ca are systematically investigated by time-dependent density functional calculations with evaporation prescription. Depending on the incident energy and impact parameter, fusion, deep-inelastic and quasi-fission events are expected to appear. In this paper, possible fission dynamics of compound nuclei is presented.
Fragment properties from fission of actinide nuclei induced by 6-10 MeV bremsstrahlungI
Gook, A.; Eckardt, C.; Enders, J.; Freudenberger, M.; von Neumann-Cosel, P.; Oberstedt, A.; Oberstedt, S.; Richter, A.
Experiments to investigate the photon-induced fission of actinide nuclei at excitation energies in the vicinity of the fission barrier are carried out at the superconducting Darmstadt linear electron accelerator S-DALINAC. A twin-Frisch-grid ionization chamber is used to deduce mass, total kinetic energy, and angular distributions of the fission fragments. First experiments on 238U and 234U have shown that the experimental setup provides excellent conditions for investigating low-energy bremsstrahlung induced fission. Further experiments on 234U and 232Th are currently in progress. In this contribution results from the first experiment on fission fragment mass and total kinetic energy distributions from 234,238U are presented along with preliminary data from an on-going investigation of angular distributions from 234U(γ, f)
Fission of Halving Edges Graphs
Khovanova, Tanya; Yang, Dai
2013-01-01
In this paper we discuss an operation on halving edges graph that we call fission. Fission replaces each point in a given configuration with a small cluster of k points. The operation interacts nicely with halving edges, so we examine its properties in detail.
Contribution to the study of nuclear fission
International Nuclear Information System (INIS)
The author proposes an overview of his research activity during the past fifteen years and more particularly that dealing with nuclear fission. The first part reports works on nucleus physics at the scission via the investigation of ternary fission (experimental procedure, influence of fission modes, influence of resonance spin, influence of excitation energy of the fissioning nucleus, emission probabilities, energy spectra of ternary alphas and tritons, emission mechanism). The second part reports measurements and assessments of neutron-induced fission cross sections. The third part reports the investigation of some properties of fission products (efficiencies, branching ratios of the main delayed neutron precursors)
International Nuclear Information System (INIS)
Separation and utilization of rare metal fission products (RMFP) in nuclear spent fuel were studied to apply as a catalyst for hydrogen generation by water electrolysis. The RMFP, Pd, Ru, Rh and Tc, etc, are abundant more than ca. 30 kg per metric ton of a typical fast reactor spent fuel. the RMFP can be selectively separated from high level liquid waste (HLLW) by catalytic electrolytic extraction (CEE) method. Electrolytic extractions of Pd, Ru, Rh, Tc and Re were carried out from singular, binary and quaternary element solutions. Cathode polarization curves of the RMFP deposited electrodes were measured in 1M NaOH solutions. Electrochemical properties of RMFP deposited electrodes for electrolytic hydrogen production were examined. The quaternary Pd-Ru-Rh-Re deposited Pt electrodes showed the highest cathodic current corresponding to the hydrogen evolution reaction. The current was about twice higher than that of the base Pt electrode. The promising utilization field of recovered RMFP will be a 'FP-catalyst' for hydrogen in water electrolysis. RMFP and Re will be highly expected to be flow material to bridge nuclear and hydrogen energy systems. (author)
Calculation of activity content and related properties in PWR and BWR fuel using ORIGEN 2
International Nuclear Information System (INIS)
This report lists the conditions for calculations of the core inventory for a PWR and BWR. The calculations have been performed using the computer code ORIGEN 2. The amount (grams), the total radioactivity (bequerels), the thermal power (watts), the radioactivity from theα-decay (bequerels), and the neutron emission (neutrons/sec) from the core after the last burnup have been determined. All the parameters have been calculated as a function of the burnup and the natural decay, the latter over a time period of 0-1.0E07 years. The calculations have been performed for 68 heavy nuclides, 60 daughter nuclides, to the heavy nuclides with atomic numbers under 92, 852 fission products and 7 light nucli ides. The most important results are listed. (author)
Characteristics of Coulomb fission
Oberacker, Volker; Greiner, Walter; Kruse, Hans; Pinkston, William T.
2006-01-01
Within an extended semiquantal theory we perform large-sized coupled-channel calculations involving 260 collective levels for Coulomb fission of 238U. Differential Coulomb fission cross sections are studied as a function of bombarding energy and impact parameter for several projectiles. In the Xe + U case, total cross sections are also given. We find a strong dependence on projectile charge number, PCF(180°)∼(Zp)6 in the region 50≤Zp≤92 for a fixed ratio E/ECoul, which might...
Energy Technology Data Exchange (ETDEWEB)
Durand -Smet, R.; Lourme, P. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires
1961-07-01
- Microscopic flux measurements in reactor Aquilon have allowed to investigate the thermal and epithermal flux distribution in natural uranium rods, then to obtain the neutron spectrum variations in uranium, Wescott '{beta}' term of the average spectrum in the rod, and the ratio of epithermal to therma fissions. A new definition for the infinite multiplication factor is proposed in annex, which takes into account epithermal parameters. (authors) [French] - Un certain nombre de mesures effectuees dans la pile Aquilon ont permis d'etablir la distribution fine des flux thermique et epithermique dans les barreaux d'uranium, et d'en deduire les variations du spectre des neutrons dans l'uranium, le terme {beta} du spectre de Wescott moyen dans le barreau et le nombre de fissions epithermiques. En annexe, il est propose une definition nouvelle du coefficient de multiplication infini, qui fait intervenir les parametres epithermiques. (auteurs)
Calculation of Geometric Properties Using a Personal Computer.
Vawter, D. L.
1982-01-01
In introductory mechanics courses it is often necessary to know the geometric properties of some irregular figure. An interactive program (using an Apple II microcomputer) which allows an instructor to determine the geometric properties of an arbitrary figure is described. Includes mathematical formulation, properties of irregular polygons, and…
International Nuclear Information System (INIS)
Nuclear astrophysics and californium fission neutron spectrum averaged cross sections and their uncertainties for ENDF materials have been calculated. Absolute values were deduced with Maxwellian and Mannhart spectra, while uncertainties are based on ENDF/B-VII.1, JEFF-3.1.2, JENDL-4.0 and Low-Fidelity covariances. These quantities are compared with available data, independent benchmarks, EXFOR library, and analyzed for a wide range of cases. Recommendations for neutron cross section covariances are given and implications are discussed
Time-odd effects and the spectroscopic properties of odd-mass fission fragments
International Nuclear Information System (INIS)
Adding an extra nucleon having a definite K-value to an axially symmetrical even-even core generates a breaking of the time-reversal symmetry. Within the Skyrme-Hartree-Fock approach the effects of the time-odd mean-field terms resulting from the presence of non-vanishing current and spin-vector densities are investigated. In this preliminary study, pairing correlations are not taken into account. The associated removal of the Kramers degeneracy is interpreted in terms of diamagnetic/paramagnetic types of polarization of the even-even core in the field of an odd particle. This general approach is illustrated here by calculations in the region of light fragments of heavy (e.g. actinide) nuclei. (authors)
Experimental survey of the potential energy surfaces associated with fission
International Nuclear Information System (INIS)
Progress in the experimental determination of the properties of the potential energy surface associated with fission is reviewed. The importance of nuclear symmetry effects on the calculation of fission widths is demonstrated. Evidence is presented for the fragmentation of the mass-asymmetric second barrier in the thorium region and the axial asymmetric first barrier in the californium region. Detailed analyses of experimental data suggest the presence of two parallel second barriers; the normal mass-asymmetric, axial-symmetric barrier and a slightly higher mass-symmetric, axial-asymmetric barrier. Experimental barrier parameters are determined systematically and compared with calculations from various theoretical models. Techniques for expanding fission probability measurements to higher energies are discussed. (author)
Binary and ternary fission within the statistical model
International Nuclear Information System (INIS)
The binary and ternary nuclear fission are treated within the statistical model. At the scission point we calculate the potentials as functions of the deformations of the fragments in the dinuclear model. The potentials give the mass and charge distributions of the fission fragments. The ternary fission is assumed to occur during the binary fission. (author)
International Nuclear Information System (INIS)
In nuclear reactions where a compound nucleus is formed at high excitation energies, one is forced to use a statistical theory to explain the observables of the reaction. The statistical theory of fission of Weisskopf-Ewing-Newton and Ericson is applied to binary spallation of 16O, 20Ne, and 14N by protons in the proton energy range of 20 to 150 MeV, 0 to 105 MeV, and 0 to 41.9 MeV, respectively. The capture cross section of the incident proton is calculated from the reaction cross section using appropriate optical model potentials. The differential and total cross sections for binary fragmentation into near symmetric mass nuclei are calculated which are in reasonable agreement with experimental results. The kinetic energy spectrum and decay widths in the final channels are also calculated, however these have not been measured experimentally for comparison. All of these calculations are done using three different ion-ion optical potentials suggested by others. One then reformulated the statistical theory to include the second law of thermodynamics. Both theories are applied to neutron induced fission of 239Pu, 235U, 233U, 229Th, and 226Ra at several different neutron and alpha energies using the recently proposed external barrier between the saddle and the scission point. The transmission functions are calculated using a set of coupled equations in the exit channels. The computed results indicate that the model can account for the observed variation of the percentage mass yield spectra. Furthermore one calculated the most probable kinetic energy in the fission in all cases and found it to agree with the observation. The spontaneous and isomer fission half lives are calculated giving good agreement with experimental data. The kinetic energy spectrums are also computed for some representative daughter pairs. The inclusion of the second law of thermodynamics improves the agreement between theory and experiment
Relativistic Band Calculation and the Optical Properties of Gold
DEFF Research Database (Denmark)
Christensen, N Egede; Seraphin, B. O.
1971-01-01
of magnitude as the gaps (approximately 1 eV). Various integrated functions, density of states, joint density of states, and energy distributions of joint density of states are derived from the RAPW calculation. These functions are used in an interpretation of photoemission and static reflectance......The energy band structure of gold is calculated by the relativistic augmented-plane-wave (RAPW) method. A nonrelativistic calculation is also presented, and a comparison between this and the RAPW results demonstrates that the shifts and splittings due to relativistic effects are of the same order...... measurements. It is shown that the photoemission results are extremely well described in terms of a model assuming all transitions to be direct whereas a nondirect model fails. The ε2 profile calculated in a crude model assuming constant matrix elements matches well the corresponding experimental results. The...
Hidden systematics of fission channels
Directory of Open Access Journals (Sweden)
Schmidt Karl-Heinz
2013-12-01
Full Text Available It is a common procedure to describe the fission-fragment mass distributions of fissioning systems in the actinide region by a sum of at least 5 Gaussian curves, one for the symmetric component and a few additional ones, together with their complementary parts, for the asymmetric components. These components have been attributed to the influence of fragment shells, e.g. in the statistical scission-point model of Wilkins, Steinberg and Chasman. They have also been associated with valleys in the potential-energy landscape between the outer saddle and the scission configuration in the multi-channel fission model of Brosa. When the relative yields, the widths and the mean mass-asymmetry values of these components are fitted to experimental data, the mass distributions can be very well reproduced. Moreover, these fission channels are characterised by specific values of charge polarisation, total kinetic energy and prompt-neutron yields. The present contribution investigates the systematic variation of the characteristic fission-channel properties as a function of the composition and the excitation energy of the fissioning system. The mean position of the asymmetric fission channels in the heavy fragment is almost constant in atomic number. The deformation of the nascent fragments at scission, which is the main source of excitation energy of the separated fission fragments ending up in prompt-neutron emission, is found to be a unique function of Z for the light and the heavy fragment of the asymmetric fission channels. A variation of the initial excitation energy of the fissioning system above the fission saddle is only seen in the neutron yield of the heavy fragment. The charge polarisation in the two most important asymmetric fission channels is found to be constant and to appreciably exceed the macroscopic value. The variation of the relative yields and of the positions of the fission channels as a function of the composition and excitation energy
Shell Effects in Nuclear Fission
International Nuclear Information System (INIS)
The important part played by shell effects in nuclear fission has been reliably established experimentally and forms the basis of the theory of asymmetry of fission and other properties of fission fragments. However, from the theoretical point of view there are certain difficulties in understanding these effects, since at the moment of scission the fragments axe considerably deformed. When the shell effects are calculated in succession, the energy of the fissioning nucleus before scission may be presented in the form of the sum of the energies of the spherical fragments taking shell effects into account, the Coulomb interaction energy of the fragments and their deformation energy. The deformation energy of the fragments should be calculated not using the elasticity values of the fragments according to the drop model, but, for very low deformations, the single particle elasticity values taking into account the magic effects, with a gradual transition to the drop values for deformations at which the levels of neighbouring shells intersect. The single-particle elasticity values can be obtained from the experimental data on the Coulomb excitation of the nuclei. In Vandenbosch's calculations of fragment deformation, the elasticity of the fragments was based on the condition of coincidence between the deformation energy of the fragments and the experimental values for their excitation energy. However, in this case the elasticity was assumed to be constant at all deformations, and for this reason, although the elasticity values found in Vandenbosch do show magic'effects, they differ considerably in magnitude from the experimental elasticity values (see above).. The calculations of Vandenbosch also failed to take into account the magic effects for non-deformed fragments that lead to a reduction in the energy of the magic nucleus. Therefore, according to these calculations fission should be symmetrical, since the elasticity and consequently also the deformation energy (at
Computer codes used in the calculation of high-temperature thermodynamic properties of sodium
International Nuclear Information System (INIS)
Three computer codes - SODIPROP, NAVAPOR, and NASUPER - were written in order to calculate a self-consistent set of thermodynamic properties for saturated, subcooled, and superheated sodium. These calculations incorporate new critical parameters (temperature, pressure, and density) and recently derived single equations for enthalpy and vapor pressure. The following thermodynamic properties have been calculated in these codes: enthalpy, heat capacity, entropy, vapor pressure, heat of vaporization, density, volumetric thermal expansion coefficient, compressibility, and thermal pressure coefficient. In the code SODIPROP, these properties are calculated for saturated and subcooled liquid sodium. Thermodynamic properties of saturated sodium vapor are calculated in the code NAVAPOR. The code NASUPER calculates thermodynamic properties for super-heated sodium vapor only for low (< 1644 K) temperatures. No calculations were made for the supercritical region
Fission modelling with FIFRELIN
Litaize, Olivier; Serot, Olivier; Berge, Léonie
2015-12-01
The nuclear fission process gives rise to the formation of fission fragments and emission of particles (n,γ , e-) . The particle emission from fragments can be prompt and delayed. We present here the methods used in the FIFRELIN code, which simulates the prompt component of the de-excitation process. The methods are based on phenomenological models associated with macroscopic and/or microscopic ingredients. Input data can be provided by experiment as well as by theory. The fission fragment de-excitation can be performed within Weisskopf (uncoupled neutron and gamma emission) or a Hauser-Feshbach (coupled neutron/gamma emission) statistical theory. We usually consider five free parameters that cannot be provided by theory or experiments in order to describe the initial distributions required by the code. In a first step this set of parameters is chosen to reproduce a very limited set of target observables. In a second step we can increase the statistics to predict all other fission observables such as prompt neutron, gamma and conversion electron spectra but also their distributions as a function of any kind of parameters such as, for instance, the neutron, gamma and electron number distributions, the average prompt neutron multiplicity as a function of fission fragment mass, charge or kinetic energy, and so on. Several results related to different fissioning systems are presented in this work. The goal in the next decade will be i) to replace some macroscopic ingredients or phenomenological models by microscopic calculations when available and reliable, ii) to be a support for experimentalists in the design of detection systems or in the prediction of necessary beam time or count rates with associated statistics when measuring fragments and emitted particle in coincidence iii) extend the model to be able to run a calculation when no experimental input data are available, iv) account for multiple chance fission and gamma emission before fission, v) account for the
Fission modelling with FIFRELIN
Energy Technology Data Exchange (ETDEWEB)
Litaize, Olivier; Serot, Olivier; Berge, Leonie [CEA, DEN, DER, SPRC, Saint Paul Lez Durance (France)
2015-12-15
The nuclear fission process gives rise to the formation of fission fragments and emission of particles (n,γ, e{sup -}). The particle emission from fragments can be prompt and delayed. We present here the methods used in the FIFRELIN code, which simulates the prompt component of the de-excitation process. The methods are based on phenomenological models associated with macroscopic and/or microscopic ingredients. Input data can be provided by experiment as well as by theory. The fission fragment de-excitation can be performed within Weisskopf (uncoupled neutron and gamma emission) or a Hauser-Feshbach (coupled neutron/gamma emission) statistical theory. We usually consider five free parameters that cannot be provided by theory or experiments in order to describe the initial distributions required by the code. In a first step this set of parameters is chosen to reproduce a very limited set of target observables. In a second step we can increase the statistics to predict all other fission observables such as prompt neutron, gamma and conversion electron spectra but also their distributions as a function of any kind of parameters such as, for instance, the neutron, gamma and electron number distributions, the average prompt neutron multiplicity as a function of fission fragment mass, charge or kinetic energy, and so on. Several results related to different fissioning systems are presented in this work. The goal in the next decade will be i) to replace some macroscopic ingredients or phenomenological models by microscopic calculations when available and reliable, ii) to be a support for experimentalists in the design of detection systems or in the prediction of necessary beam time or count rates with associated statistics when measuring fragments and emitted particle in coincidence iii) extend the model to be able to run a calculation when no experimental input data are available, iv) account for multiple chance fission and gamma emission before fission, v) account for
Fission modelling with FIFRELIN
International Nuclear Information System (INIS)
The nuclear fission process gives rise to the formation of fission fragments and emission of particles (n,γ, e-). The particle emission from fragments can be prompt and delayed. We present here the methods used in the FIFRELIN code, which simulates the prompt component of the de-excitation process. The methods are based on phenomenological models associated with macroscopic and/or microscopic ingredients. Input data can be provided by experiment as well as by theory. The fission fragment de-excitation can be performed within Weisskopf (uncoupled neutron and gamma emission) or a Hauser-Feshbach (coupled neutron/gamma emission) statistical theory. We usually consider five free parameters that cannot be provided by theory or experiments in order to describe the initial distributions required by the code. In a first step this set of parameters is chosen to reproduce a very limited set of target observables. In a second step we can increase the statistics to predict all other fission observables such as prompt neutron, gamma and conversion electron spectra but also their distributions as a function of any kind of parameters such as, for instance, the neutron, gamma and electron number distributions, the average prompt neutron multiplicity as a function of fission fragment mass, charge or kinetic energy, and so on. Several results related to different fissioning systems are presented in this work. The goal in the next decade will be i) to replace some macroscopic ingredients or phenomenological models by microscopic calculations when available and reliable, ii) to be a support for experimentalists in the design of detection systems or in the prediction of necessary beam time or count rates with associated statistics when measuring fragments and emitted particle in coincidence iii) extend the model to be able to run a calculation when no experimental input data are available, iv) account for multiple chance fission and gamma emission before fission, v) account for the
International Nuclear Information System (INIS)
A library is described of data for 584 isotopes of fission products, including decay constants, branching ratios (both burn-up and decay), the type of emitted radiation, relative and absolute yields, capture cross sections for thermal neutrons, and resonance integrals. When a detailed decay scheme is not known, the mean energies of beta particles and neutrino and gamma radiations are given. In the ZVJE SKODA system the library is named BIBFP and is stored on film No 49 of the NE 803 B computer. It is used in calculating the inventory of fission products in fuel elements (and also determining absorption cross sections for burn-up calculations, gamma ray sources, heat generation) and in solving radioactivity transport problems in the primary circuit. It may also be used in the spectrometric method for burn-up determination of fuel elements. The library comprises the latest literary data available. It serves as the basis for library BIBGRFP storing group constants of fission products with independent yields of isotopes from fission. This, in turn, forms the basis for the BIBDN library collecting data on the precursors of delayed neutron emitters. (author)
Theoretical Description of the Fission Process
Energy Technology Data Exchange (ETDEWEB)
Witold Nazarewicz
2003-07-01
The main goals of the project can be summarized as follows: Development of effective energy functionals that are appropriate for the description of heavy nuclei. Our goal is to improve the existing energy density (Skyrme) functionals to develop a force that will be used in calculations of fission dynamics. Systematic self-consistent calculations of binding energies and fission barriers of actinide and trans-actinide nuclei using modern density functionals. This will be followed by calculations of spontaneous fission lifetimes and mass and charge divisions using dynamic adiabatic approaches based on the WKB approximation. Investigate novel microscopic (non-adiabatic) methods to study the fission process.
Theoretical Description of the Fission Process
International Nuclear Information System (INIS)
The main goals of the project can be summarized as follows: Development of effective energy functionals that are appropriate for the description of heavy nuclei. Our goal is to improve the existing energy density (Skyrme) functionals to develop a force that will be used in calculations of fission dynamics. Systematic self-consistent calculations of binding energies and fission barriers of actinide and trans-actinide nuclei using modern density functionals. This will be followed by calculations of spontaneous fission lifetimes and mass and charge divisions using dynamic adiabatic approaches based on the WKB approximation. Investigate novel microscopic (non-adiabatic) methods to study the fission process
Fission at high angular momenta
International Nuclear Information System (INIS)
By studies on the system 40Ar+165Ho by means of selected measuring methods which made a differential selection of certain angular momentum ranges and by this a discrimination between ''fast fission'' and compound-nucleus fission possible the validity of fundamental predictions of the model of the ''fast fission'' hitherto experimentally no yet confirmed was studied: 1) At the turning point of the trajectory for ''fast fission'' calculated by Gregoire the corresponding shape of which must be responsible for the angular distribution the centers of the two fragments must be separated by about 11 fm. 2) The widths of the mass distributions after ''fast fission'' and compound-nucleus fission must be different by a factor 2. The measurements of the angular dependence showed that both prediction cannot be simultaneously brought into accordance with the experimental results. The results of coincidence measurements between fission fragments and alpha particles confirmed the assumption mentioned under topic 2. The analysis of the angular dependence then yielded for the shape of the nuclear complex leading to ''fast fission'' a more compact shape than that indicated by Gregoire, namely with a distance of the fragments of about 7 fm. (orig.)
Nuclear fission with a Langevin equation
International Nuclear Information System (INIS)
A microscopically derived Langevin equation is applied to thermally induced nuclear fission. An important memory effect is pointed out and discussed. A strong friction coefficient, estimated from microscopic quantities, tends to decrease the stationary limit of the fission rate and to increase the transient time. The calculations are performed with a collective mass depending on the collective variable and with a constant mass. Fission rates calculated at different temperatures are shown and compared with previous available results. (author) 23 refs.; 7 figs
Fission fragment angular distribution in heavy ion induced fission
Directory of Open Access Journals (Sweden)
S. Soheyli
2006-06-01
Full Text Available We have calculated the fission fragment angular anisotropy for 16O + 232Th,12C + 236U , 11B + 237 Np , 14 N + 232 Th , 11B + 235U , 12C + 232Th systems with the saddle point statistical model and compared the fission fragment angular anisotropy for these systems. This comparison was done with two methods a without neutron correction and b with neutron correction. Also we studied normal and anomalous behavior of the fission fragment angular anisotropy. Finally, we have predicted the average emitted neutron from compound nuclei considering the best fit for each system.
Fission fragment angular distribution in heavy ion induced fission
S. Soheyli; I. Ziaeian
2006-01-01
We have calculated the fission fragment angular anisotropy for 16O + 232Th,12C + 236U , 11B + 237 Np , 14 N + 232 Th , 11B + 235U , 12C + 232Th systems with the saddle point statistical model and compared the fission fragment angular anisotropy for these systems. This comparison was done with two methods a) without neutron correction and b) with neutron correction. Also we studied normal and anomalous behavior of the fission fragment angular anisotropy. Finally, we have predicted the averag...
The etching property of the surface of CR-39 and the track core radius of fission fragment
Mineyama, D; Yamauchi, T; Oda, K; El-Rahman, A
2002-01-01
The etch pits of fission fragments in CR-39 detector have been observed carefully using an atomic force microscope (AFM) after extremely short chemical etching in stirred 6N KOH solution kept at 70degC. It was found that there existed a thin layer where the bulk etch rate is relativity from large the etch-pit growth curve for the etching duration between 10 and 1800 seconds. The track core radius of fission fragment was evaluated to be about 6 nm from the extrapolation of the growth curve in a thinner region. (author)
Fission dynamics within time-dependent Hartree-Fock: boost-induced fission
Goddard, P. M.; Stevenson, P. D.; Rios, A.
2015-01-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus, and the daughter products. Purpose: To explore the ability of dynamic mean-field methods to describe induced fission processes, using quadrupole boosts in the nuclide $^{240}$Pu as an example. Method...
Delayed Neutrons and Photoneutrons from Fission Products
International Nuclear Information System (INIS)
emission after fission represents the composite decay of the corresponding gamma- ray-emifting nuclides in the mixture of fission product chains. The gross photoneutron decay curves from both D2O and beryllium have been resolved into nine groups with half-lives ranging from a few seconds to ∼13 d. Each of these groups represents a complex composite of nuclides. Derailed information on the constituents of these groups is important for reactors in which fission products fractionation may take place and affect relative group abundances. Such information exists only for the longer-lived fission products whose properties and yields are well known, and where experimental results are in agreement with calculated values based on fission mass and charge distributions and decay schemes. The characterization of individual nuclides in the more complex short-lived groups is indeed a formidable task, but this information is of considerable practical and theoretical importance, and warrants further extensive study. (author)
Bloch, F.; Staub, H.
1943-08-18
Measurements of the spectrum of the fission neutrons of 25 are described, in which the energy of the neutrons is determined from the ionization produced by individual hydrogen recoils. The slow neutrons producing fission are obtained by slowing down the fast neutrons from the Be-D reaction of the Stanford cyclotron. In order to distinguish between fission neutrons and the remaining fast cyclotron neutrons both the cyclotron current and the pusle amplifier are modulated. A hollow neutron container, in which slow neutrons have a lifetime of about 2 milliseconds, avoids the use of large distances. This method results in much higher intensities than the usual modulation arrangement. The results show a continuous distribution of neutrons with a rather wide maximum at about 0.8 MV falling off to half of its maximum value at 2.0 MV. The total number of netrons is determined by comparison with the number of fission fragments. The result seems to indicate that only about 30% of the neutrons have energies below .8 MV. Various tests are described which were performed in order to rule out modification of the spectrum by inelastic scattering. Decl. May 4, 1951
Czech Academy of Sciences Publication Activity Database
Smith, M. B.; Michl, Josef
2010-01-01
Roč. 110, č. 11 (2010), s. 6891-6936. ISSN 0009-2665 Grant ostatní: Department of Energy(US) DE-FG36-08GO18017 Institutional research plan: CEZ:AV0Z40550506 Keywords : solar energy conversion * photovoltaics * singlet fission Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 33.033, year: 2010
DEFF Research Database (Denmark)
Christiansen, Steen Ledet
materialisation of an ideological fission which attempts to excise certain ideological constructions, yet paradoxically casting them in a form that is recognizable and familiar. The monstrous metonomy which is used shows us glimpses of a horrid being, intended to vilify the attack on New York City. However, it is...
Červinka, Ctirad; Pádua, Agilio A H; Fulem, Michal
2016-03-10
This work presents a molecular dynamics simulation study concerning the thermodynamic data of ionic liquids (ILs) including phase change enthalpies, liquid phase densities, radial and spatial distribution functions, and diffusive properties. Three homologous series of ILs were selected for this study, namely, 1-alkyl-3-methylimidazolium tetrafluoroborates, hexafluorophosphates, and 1,1,2,2-tetrafluoroethanesulfonates, so that properties of 36 ILs are calculated in total. The trends of calculated properties are compared to available experimental data and thoroughly discussed in context of the homologous series. The calculated trends of the vaporization enthalpies within the series are supported by analyzing the structural properties of the ILs. An excellent agreement of calculated structural properties (liquid phase density) with the experimental counterparts is reached. The calculated enthalpic properties are overestimated considerably; thus, further development of the force fields for ILs is required. PMID:26848831
Towards improved evaluation of neutron-induced fission cross section
International Nuclear Information System (INIS)
Mean-field calculations can nowadays provide all the nuclear ingredients required to describe the fission path from the equilibrium deformation up to the nuclear scission point. The information obtained from microscopic mean-field models has been included in reaction codes to improve the predictions of neutron-induced fission cross section. The nuclear inputs concern not only the details of the energy surface along the fission path, but also the coherent estimate of the nuclear level density derived within the combinatorial approach on the basis of the same single-particle properties, in particular at the fission saddle points. The predictive power of such a microscopic approach is tested. It is also shown that the various inputs can be tuned to reproduce at best experimental data in one unique coherent framework, so that it is now possible to make reliable and accurate fission cross-section calculations on the basis of microscopic models, but also to use such approaches to estimate the corresponding modeling uncertainties for nuclei, energy ranges or reaction channels for which no data exist. (authors)
Investigation of the fission yields of the fast neutron-induced fission of 233U
International Nuclear Information System (INIS)
As a stars, a survey of the different methods of investigations of the fission product yields and the experimental data status have been studied, showing advantages and shortcomings for the different approaches. An overview of the existing models for the fission product distributions has been as well intended. The main part of this thesis was the measurement of the independent yields of the fast neutron-induced fission of233U, never investigated before this work. The experiment has been carried out using the mass separator OSIRIS (Isotope Separator On-Line). Its integrated ion-source and its specific properties required an analysis of the delay-parameter and ionisation efficiency for each chemical species. On the other hand, this technique allows measurement of independent yields and cumulative yields for elements from Cu to Ba, covering most of the fission yield distribution. Thus, we measured about 180 independent yields from Zn (Z=30) to Sr (Z=38) in the mass range A=74-99 and from Pd (Z=46) to Ba (Z=56) in the mass range A=113-147, including many isomeric states. An additional experiment using direct γ-spectroscopy of aggregates of fission products was used to determine more than 50 cumulative yields of element with half-life from 15 min to a several days. All experimental data have been compared to estimates from a semi-empirical model, to calculated values and to evaluated values from the European library JEF 2.2. Furthermore, a study of both thermal and fast neutron-induced fission of 233U measured at Studsvik, the comparison of the OSIRIS and LOHENGRIN facilities and the trends in new data for the Reactors Physics have been discussed. (author)
Accelerating molecular property calculations with nonorthonormal Krylov space methods
Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; Kwon, Jake
2016-05-01
We formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remain small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.
Sub-library of Updated Fission Barrier Parameters(CENPL-FBP2)
Institute of Scientific and Technical Information of China (English)
2001-01-01
The fission barrier parameters are important to determine the fission character of a nucleus. The fission barrier parameters and fission level densities are key ingredients in calculations of not only fission cross section but also various cross sections, and spectra for the fissile nuclides, even heavy nuclides at higher incident energies. It is necessaries that the accuracy of fission barrier parameters requires even higher, and nuclides with fission barrier parameters can cover even wider nuclear range.
Energy dependence of fission observables
Paşca, Horia
2016-01-01
The mass, charge and isotopic distributions of fission fragments are studied within an improved scission-point statistical model in the reaction 235U+n at different energies of the incident neutron. The available experimental data are well reproduced and the energy-dependencies of the observable characteristics of fission are predicted for future experiments. The calculated mass distribution of 238U+n is also compared with experimental data.
Spectral properties of In II from MCDHF calculations
Energy Technology Data Exchange (ETDEWEB)
Joensson, Per [Nature, Environment, Society, Malmoe University, S-205 06 Malmoe (Sweden); Andersson, Martin [Department of Physics, Lund University, Box 118, S-221 00 Lund (Sweden)
2007-06-28
We report extensive relativistic multiconfiguration Dirac-Hartree-Fock calculations of oscillator strengths and hyperfine structures for a large number of electric dipole transitions in In II. Results for the 5s{sup 21}S{sub 0}-5s5p{sup 3}P{sup o}{sub 0} hyperfine induced transition are also presented. Core polarization is accounted for by means of explicit CI. To describe spin-polarization effects configuration state functions obtained by single excitations from all core-shells are included in the expansions. The computed oscillator strength for the 5s{sup 21}S{sub 0}-5s5p{sup 3}P{sup o}{sub 1} intercombination transition is in good agreement with laser spectroscopy measurements of In{sup +} ions in a radio-frequency trap. The calculated magnetic dipole hyperfine interaction constants agree very well with experimental constants derived from Fourier transform spectra. The problem with off-diagonal interactions affecting the hyperfine structures in closely spaced fine-structure levels is discussed.
International Nuclear Information System (INIS)
Fission-product and actinide decay heating, gas content, curies, and detailed contributions of the most important nuclide contributors were supplied in a series of letters following requests from the Presidential Commission on the Accident at Three Mile Island. In addition, similar data assuming different irradiation (power) histories were requested for purposes of comparison. This report consolidates the tabular and graphical data supplied and explains its basis
International Nuclear Information System (INIS)
Fission-product and actinide decay heating, gas content, curies, and detailed contributions of the most important nuclide contributors were supplied in a series of letters following requests from the Presidential Commission on the Accident at Three Mile Island. In addition, similar data assuming different irradiation (power) histories were requested for purposes of comparison. This report consolidates the tabular and graphical data supplied and explains its basis
Energy Technology Data Exchange (ETDEWEB)
England, T.R.; Wilson, W.B.
1979-10-01
Fission-product and actinide decay heating, gas content, curies, and detailed contributions of the most important nuclide contributors were supplied in a series of letters following requests from the Presidential Commission on the Accident at Three Mile Island. In addition, similar data assuming different irradiation (power) histories were requested for purposes of comparison. This report consolidates the tabular and graphical data supplied and explains its basis.
Sensitivity of Makrofol fission track detectors
International Nuclear Information System (INIS)
Neutron fluence can be determined by means of fission track detectors consisting of fission foils in contact with suitable dielectrics (Makrofol E plastic was used in this case). Fission fragments emitted from the fissionable material into the plastic sheet generate permanent damage trails which can be made visible by an etching process. These tracks are then counted by means of an optical microscope or other methods and the number of tracks is proportional to the neutron fluence. The efficiency is defined as the ration of the number of tracks counted to the number of fissions in the fissionable layer. It is calculated from the mean range of the fission products in the fissionable material and in the plastic. The loss of very flat tracks with a small penetration angle caused by etching a certain bulk layer from the plastic foil is also taken into account. The formulas for the efficiency are deduced for thin fission layers and for thick fission foils. These calculations are made on the basis of the experimentally confirmed assumption that the ratio V of the track etching rate to the bulk etching rate is at least equal to 200. These high values for this ratio V are valid if an adequate period (several days) of oxygen influence to the damage trails is guaranteed. The calculated values of the efficiency are compared with experimental values and the uncertainty is discussed. (orig./HP)
Energy Technology Data Exchange (ETDEWEB)
Lenormand, R.; Thiele, M.R. [Institut Francais du Petrole, Rueil Malmaison (France)
1997-08-01
The paper describes the method and presents preliminary results for the calculation of homogenized relative permeabilities
Ab initio Calculations of Optical Properties of Clusters
Shinde, Ravindra
2016-01-01
We have performed systematic large-scale all-electron correlated calculations on boron Bn, aluminum Aln and magnesium Mgn clusters (n=2--5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their geometries were optimized at the coupled-cluster singles doubles (CCSD) level of theory. Using the optimized ground-state geometries, excited states of different clusters were computed using the multi-reference singles-doubles configuration interaction (MRSDCI) approach, which includes electron correlation effects at a sophisticated level. These CI wavefunctions were used to compute the transition dipole matrix elements connecting the ground and various excited states of different clusters, eventually leading to their linear absorption spectra. The convergence of our results with respect to the basis sets, and the size of the CI expansion was carefully examined. Isomers of a given cluster show a distinct signature spectrum, indicating a strong structure p...
Heat and Fission Product Transport in a Molten U-Zr-O Pool With Crust
International Nuclear Information System (INIS)
Heat transfer and fluid flow in a molten pool are influenced by internal volumetric heat generated from the radioactive decay of fission product species retained in the pool. The pool superheat is determined based on the overall energy balance that equates the heat production rate to the heat loss rate. Decay heat of fission products in the pool was estimated by product of the mass concentration and energy conversion factor of each fission product. For the calculation of heat generation rate in the pool, twenty-nine elements were chosen and classified by their chemical properties. The mass concentration of a fission product is obtained from released fraction and the tabular output of the ORIGEN 2 code. The initial core and pool inventories at each time can also be estimated using ORIGEN 2. The released fraction of each fission product is calculated based on the bubble dynamics and mass transport. Numerical analysis was performed for the TMI-2 accident. The pool is assumed to be a partially filled hemispherical geometry and the change of pool geometry during the numerical calculation was neglected. Results of the numerical calculation revealed that the peak temperature of the molten pool significantly decreased and most of the volatile fission products were released from the molten pool during the accident. (authors)
Rowland, Mark S.; Snyderman, Neal J.
2012-04-10
A neutron detector system for discriminating fissile material from non-fissile material wherein a digital data acquisition unit collects data at high rate, and in real-time processes large volumes of data directly into information that a first responder can use to discriminate materials. The system comprises counting neutrons from the unknown source and detecting excess grouped neutrons to identify fission in the unknown source.
The effect of atomic electrons on nuclear fission
Dzuba, V. A.; Flambaum, V. V.
2008-01-01
We calculate correction to the nuclear fission barrier produced by the atomic electrons. The result presented in analytical form is convenient to use in future nuclear calculations. The atomic electrons have a small stabilizing effect on nuclei, increasing lifetime in nuclear fission channel. This effect gives a new instrument to study the fission process.
Spontaneous fission of superheavy nuclei
Indian Academy of Sciences (India)
R A Gherghescu; D N Poenaru
2015-09-01
The macroscopic–microscopic method is extended to calculate the deformation energy and penetrability for binary nuclear configurations typical for fission processes. The deformed two-centre shell model is used to obtain single-particle energy levels for the transition region of two partially overlapped daughter and emitted fragment nuclei. The macroscopic part is obtained using the Yukawa-plus-exponential potential. The microscopic shell and pairing corrections are obtained using the Strutinsky and BCS approaches and the cranking formulae yield the inertia tensor. Finally, the WKB method is used to calculate penetrabilities and spontaneous fission half-lives. Calculations are performed for the decay of 282,292120 nuclei.
Laser spectroscopy of fission fragments
International Nuclear Information System (INIS)
The study of the nuclear structure of fission fragments is discussed. They are neutron-rich nuclei the structure of which possesses some peculiarities. Two regions of fission fragments are discussed: near the shell closures N = 50 and N = 82 and at the boundary of the deformation. A view on the optical properties of these elements is presented and different laser spectroscopic methods for their investigation are proposed. (author)
Mass Properties Calculation and Fuel Analysis in the Conceptual Design of Uninhabited Air Vehicles
Ohanian, Osgar John
2003-01-01
The determination of an aircraft's mass properties is critical during its conceptual design phase. Obtaining reliable mass property information early in the design of an aircraft can prevent design mistakes that can be extremely costly further along in the development process. In this thesis, several methods are presented in order to automatically calculate the mass properties of aircraft structural components and fuel stored in tanks. The first method set forth calculates the mass prope...
H2O, Calculation of Thermodynamics Properties of Steam and H2O
International Nuclear Information System (INIS)
1 - Description of problem or function: H2O calculates the thermo- physical properties of steam and water. It is mainly used as a sub- program package to be linked with programs which need water properties. 2 - Method of solution: H2O is based on the VDI Steam Tables and other improved publications. All properties are approximated and calculated with high accuracy. 3 - Restrictions on the complexity of the problem: None
Dynamic simulation of flash drums using rigorous physical property calculations
Directory of Open Access Journals (Sweden)
F. M. Gonçalves
2007-06-01
Full Text Available The dynamics of flash drums is simulated using a formulation adequate for phase modeling with equations of state (EOS. The energy and mass balances are written as differential equations for the internal energy and the number of moles of each species. The algebraic equations of the model, solved at each time step, are those of a flash with specified internal energy, volume and mole numbers (UVN flash. A new aspect of our dynamic simulations is the use of direct iterations in phase volumes (instead of pressure for solving the algebraic equations. It was also found that an iterative procedure previously suggested in the literature for UVN flashes becomes unreliable close to phase boundaries and a new alternative is proposed. Another unusual aspect of this work is that the model expressions, including the physical properties and their analytical derivatives, were quickly implemented using computer algebra.
Numerical calculation of the optical properties for compound aerosol particles
International Nuclear Information System (INIS)
The atmosphere aerosol is an important part in earth and atmosphere system. The optical parameters are the important influence factors for evaluating atmospheric environment and studying the aerosol radiation climatic effect. They are also the key parameters for the research on the characteristics of laser propagation in atmosphere. According to the electrical structure of matter, the compound aerosol particles are dispersed into a series of dipoles, then by combining with discrete dipole approximation method and after obtaining the electric dipole moment of each dipole, the authors get the numerical results of the changes of extinction cross section, absorption cross section and asymmetry factor of spherical shape, ellipsoid shape and stratiform compound aerosol particles with wavelength, and made a comparative analysis of the optical parameter values for the ellipsoidal shape of single and composite components aerosol particles. The results show that all the incident wavelength, shape and component of aero- sol particles can affect the optical properties of aerosol particles. These can provides an efficiency approach and foundation for the research of the atmospheric optics, the aerosol climate radiative forcing effect, laser atmospheric transmission, etc. (authors)
Recent progress in lattice calculations of properties of open-charm mesons
Mohler, Daniel
2015-01-01
Recent progress in lattice calculations of properties of open-charm mesons, both regular and exotic, is reviewed, with an emphasis on spectroscopy. After reviewing recent calculations of excited state energy levels I will discuss progress in extracting hadronic masses and widths of charmed states from Lattice QCD simulations including low-lying scattering channels directly, to determine phase shift data and bound state/ resonance properties. With regard to other properties results from recent calculations of the $DD^*\\pi$ and $DD\\rho$, $D^*D^*\\rho$ couplings are presented. Beyond regular mesons, searches for explicitly exotic (tetraquark) states are also reviewed.
Fission product revaporization
International Nuclear Information System (INIS)
One of the major developmental advances in severe accident analysis since the Reactor Safety Study relates to the accounting for radionuclide retention in the reactor coolant system (RCS). The retention is predicted to occur as materials released during core heatup and degradation are transported through the RCS to the break (broken pipe, relief valve, etc.). For accidents involving relatively long RCS-transit times (e.g., station blackout in PWRs), the fraction of released material predicted to remain in the RCS can be large. For example, calculations for the Surry station blackout sequence showed retention of approximately 80% of the cesium and iodine species. Factors affecting fission product revaporization are post-vessel-failure thermal hydraulics, heat loss through vessel and pipe walls, and revaporization chemistry. The accident conditions relevant to this issue range from those present immediately after vessel failure to those present after containment failure. The factors that affect fission product revaporization are discussed
Fission of nuclei far from stability
International Nuclear Information System (INIS)
The secondary-beam facility of GSI provided the technical equipment for a new kind of fission experiment. Fission properties of short-lived neutron-deficient nuclei have been investigated in inverse kinematics. The measured element distributions reveal new kinds of systematics on shell structure and even-odd effects and lead to an improved understanding of structure effects in nuclear fission. Prospects for further experimental studies are discussed. (orig.)
Kandpal, Hem C.; FECHER, GERHARD H.; Felser, Claudia
2006-01-01
In this work, results of {\\it ab-initio} band structure calculations for $A_2BC$ Heusler compounds that have $A$ and $B$ sites occupied by transition metals and $C$ by a main group element are presented. This class of materials includes some interesting half-metallic and ferromagnetic properties. The calculations have been performed in order to understand the properties of the minority band gap and the peculiar magnetic behavior found in these materials. Among the interesting aspects of the e...
Calculated Electronic and Related Properties of Wurtzite and Zinc Blende Gallium Nitride (GaN)
Diakité, Yacouba Issa; Traoré, Sibiry D.; Malozovsky, Yuriy; Khamala, Bethuel; Franklin, Lashounda; Bagayoko, Diola
2014-01-01
We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism. The implementation of this formalism followed the Bagayoko, Zhao, and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). The calculated electronic and related properties, for both structures of GaN, are in good agreement with corresponding, e...
Application of the dinuclear system model to fission process
Directory of Open Access Journals (Sweden)
Andreev A. V.
2016-01-01
Full Text Available A theoretical evaluation of the collective excitation spectra of nucleus at large deformations is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two-cluster configurations in a dynamical way, permitting exchange of nucleons between clusters. In this work the method of calculation of the potential energy and the collective spectrum of fissioning nucleus at scission point is presented. Combining the DNS model calculations and the statistical model of fission we calculate the mass, total kinetic energy, and angular distribution of fission fragments for the neutron–induced fission of 239Pu.
Application of the dinuclear system model to fission process
Andreev, A. V.; Shneidman, T. M.; Ventura, A.
2016-01-01
A theoretical evaluation of the collective excitation spectra of nucleus at large deformations is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two-cluster configurations in a dynamical way, permitting exchange of nucleons between clusters. In this work the method of calculation of the potential energy and the collective spectrum of fissioning nucleus at scission point is presented. Combining the DNS model calculations and the statistical model of fission we calculate the mass, total kinetic energy, and angular distribution of fission fragments for the neutron-induced fission of 239Pu.
First-principle Calculation of the Properties of Ti3SiC2
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
The electronic and structural properties for Ti3SiC2 were studied using the first-principle calculation method. By using the calculated band structure and density of states, the high electrical conductivity of Ti3SiC2 are explained.The bonding character of Ti3SiC2 is analyzed in the map of charge density distribution.
cluster-lensing: Tools for calculating properties and weak lensing profiles of galaxy clusters
Ford, Jes
2016-05-01
The cluster-lensing package calculates properties and weak lensing profiles of galaxy clusters. Implemented in Python, it includes cluster mass-richness and mass-concentration scaling relations, and NFW halo profiles for weak lensing shear, the differential surface mass density ΔΣ(r), and for magnification, Σ(r). Optionally the calculation will include the effects of cluster miscentering offsets.
International Nuclear Information System (INIS)
Pure zircon and scheelite LuVO4 were prepared by solid state reaction and high-pressure route, respectively. Structure, elastic constants, lattice dynamics and thermodynamics of LuVO4 polymorphs were studied by experiments and first principles calculation. Calculations here are in good agreement with the experimental results. The phonon dispersions of LuVO4 polymorphs were studied by the linear response method. The calculated phonon dispersions show that zircon and scheelite LuVO4 phases are dynamically stable. Raman-active frequencies were measured and assigned to different modes according to the calculations. The internal frequencies shift downward after phase transition from zircon to scheelite. Born effective charge tensors elements for both phases are analyzed. The finite temperature thermodynamic properties of LuVO4 polymorphs were calculated from the obtained phonon density of states by quasi-harmonic approach. - Graphical abstract: Lutetium orthovanadate polymorphs were synthesized by SSR and HP methods and their physical and chemical properties, including lattice dynamical properties, were determined by DFT calculations and experiments. Display Omitted - Highlights: • Pure zircon and scheelite LuVO4 polymorphs were synthesized by solid state reaction and high-pressure route. • Chemical and physical properties of LuVO4 polymorphs were studied by experiments and first principles calculation. • Raman-active frequencies were measured and assigned to different modes according to the calculations. • Lattice dynamics of polymorphs were discussed in details
Energy Technology Data Exchange (ETDEWEB)
Huang, Zuocai; Zhang, Lei; Pan, Wei, E-mail: panw@mail.tsinghua.edu.cn
2013-09-15
Pure zircon and scheelite LuVO{sub 4} were prepared by solid state reaction and high-pressure route, respectively. Structure, elastic constants, lattice dynamics and thermodynamics of LuVO{sub 4} polymorphs were studied by experiments and first principles calculation. Calculations here are in good agreement with the experimental results. The phonon dispersions of LuVO{sub 4} polymorphs were studied by the linear response method. The calculated phonon dispersions show that zircon and scheelite LuVO{sub 4} phases are dynamically stable. Raman-active frequencies were measured and assigned to different modes according to the calculations. The internal frequencies shift downward after phase transition from zircon to scheelite. Born effective charge tensors elements for both phases are analyzed. The finite temperature thermodynamic properties of LuVO{sub 4} polymorphs were calculated from the obtained phonon density of states by quasi-harmonic approach. - Graphical abstract: Lutetium orthovanadate polymorphs were synthesized by SSR and HP methods and their physical and chemical properties, including lattice dynamical properties, were determined by DFT calculations and experiments. Display Omitted - Highlights: • Pure zircon and scheelite LuVO{sub 4} polymorphs were synthesized by solid state reaction and high-pressure route. • Chemical and physical properties of LuVO4 polymorphs were studied by experiments and first principles calculation. • Raman-active frequencies were measured and assigned to different modes according to the calculations. • Lattice dynamics of polymorphs were discussed in details.
International Nuclear Information System (INIS)
The mean neutron number per isomeric fission event of 242Am is measured. Correlations between the isomeric fission probabilities and the fission widths of neutron resonance of 241Am are investigated. For these experiments neutron time-of-flight spectrometers based on pulsed reactors IBR-30 and IBR-2 at the JINR Dubna are used
Nuclear structure calculations for astrophysical applications
International Nuclear Information System (INIS)
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
Knyazev, D. V.; Levashov, P. R.
2013-01-01
This work is devoted to the \\textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, density functional theory and the Kubo-Greenwood formula. Mainly the calculations are performed for liquid aluminum at near-normal densities for the temperatures from melting up to 20000 K. The results on dynamic electrical conductivity, static electrical conductivity and thermal conductivity are obtained and compare...
Calculation of the thermodynamic properties of liquid Ag–In–Sb alloys
Directory of Open Access Journals (Sweden)
DRAGANA ZIVKOVIC
2006-03-01
Full Text Available The results of calculations of the thermodynamic properties of liquid Ag–In–Sb alloys are presented in this paper. The Redlich–Kister–Muggianu model was used for the calculations. Based on known thermodynamic data for constitutive binary systems and available experimental data for the investigated ternary system, the ternary interaction parameter for the liquid phase in the temperature range 1000–1200 K was determined. Comparison between experimental and calculated results showed their good mutual agreement.
Neutronics of Laser Fission-Fusion Systems
International Nuclear Information System (INIS)
Neutronics of Fission-Fusion microsystems inertially confined by Lasers are analysed by transport calculation, both stationary (DTF, TIHOC) and time dependent (TDA, TIHEX), discussing the results obtained for the basic parameters of the fission process (multiplication factor, neutron generation time and Rossi-∞). (Author) 14 refs
Collective spectra along the fission barrier
Directory of Open Access Journals (Sweden)
Pigni M. T.
2012-12-01
Full Text Available Discrete and continuous spectra of fissioning nuclei at the humps of fission barriers (Bohr transition states and in the intermediate wells (superdeformed and hyperdeformed states play a key role in the calculation of fission cross sections. A theoretical evaluation of the collective parts of the spectra is possible within the framework of the dinuclear system model, which treats the wave function of the fissioning nucleus as a superposition of a mononucleus configuration and two–cluster configurations in a dynamical way, permitting exchange of upper–shell nucleons between clusters. The impact of theoretical spectra on neutron–induced fission cross sections and, in combination with an improved version of the scission–point model, on angular distribution of fission fragments is evaluated for plutonium isotopes of interest to nuclear energy applications.
Fürst, Joachim Alexander; J Hashemi; Markussen, Troels; Brandbyge, Mads; Jauho, Antti-Pekka; Nieminen, R. M.
2009-01-01
Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab initio techniques and tight-binding calculations to illustrate these materials' transmission properties and give physical arguments to interpret the numerical results. Specifically, above the Fermi energy...
Fürst, J. A.; J Hashemi; Markussen, T.; Brandbyge, M.; Jauho, A.P.; Nieminen, Risto M.
2009-01-01
Fullerene functionalized carbon nanotubes—NanoBuds—form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab initio techniques and tight-binding calculations to illustrate these materials’ transmission properties and give physical arguments to interpret the numerical results. Specifically, above the Fermi energy...
First principles calculation of material properties of group IV elements and III-V compounds
Malone, Brad Dean
2012-01-01
This thesis presents first principles calculations on the properties of group IV elements and group III-V compounds. It includes investigations into what structure a material is likely to form in, and given that structure, what are its electronic, optical, and lattice dynamical properties as well as what are the properties of defects that might be introduced into the sample. The thesis is divided as follows:Chapter 1 contains some of the conceptual foundations used in the present work. These ...
Fission dynamics within time-dependent Hartree-Fock: boost-induced fission
Goddard, P M; Rios, A
2015-01-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus, and the daughter products. Purpose: To explore the ability of dynamic mean-field methods to describe induced fission processes, using quadrupole boosts in the nuclide $^{240}$Pu as an example. Methods: Quadrupole constrained Hartree-Fock calculations are used to create a potential energy surface. An isomeric state and a state beyond the second barrier peak are excited by means of instantaneous as well as temporally extended gauge boosts with quadrupole shapes. The subsequent deexcitation is studied in a time-dependent Hartree-Fock simulation, with emphasis on fissioned final states. The corresponding fission fragment mass numbers are studied. Results: In general, the energy deposited by the quadrupole boost is quickl...
Fission mode analysis of the reaction {sup 237}Np(n,f) - possibilities and perspectives
Energy Technology Data Exchange (ETDEWEB)
Siegler, P. [Joint Research Centre, Geel (Belgium). Geel Establishment
1996-03-01
Fission fragment properties for the reaction {sup 237}Np(n,f) have been measured at the Van de Graaff Laboratory of the IRMM. Using a double gridded ionization chamber the mass, kinetic energy and the angular distribution for both fission fragments could be determined simultaneously for an incident neutron energy range from E{sub n}=0.3 MeV upto E{sub n}=5.5 MeV. Complete datasets have been acquired for 13 different neutron energies covering sub barrier fission as well as fission in the plateau region. A detailed analysis of the fragment distributions and the respective momenta has been carried out, checking the coherence against the excitation energy of the compound nucleus. The consideration of multi-modal fission offers an improved possibility for the description of the fragment distributions backed up by theoretical calculations on the basis of the multi-model random-neck rupture model of Brosa, Grossmann and Mueller. The changes of the fission fragment properties under investigation are completely described and an interpretation of the findings is presented. (author)
Systematics of Fission-Product Yields
International Nuclear Information System (INIS)
Empirical equations representing systematics of fission-product yields have been derived from experimental data. The systematics give some insight into nuclear-structure effects on yields, and the equations allow estimation of yields from fission of any nuclide with atomic number ZF = 90 thru 98, mass number AF = 230 thru 252, and precursor excitation energy (projectile kinetic plus binding energies) PE = 0 thru ∼200 MeV--the ranges of these quantities for the fissioning nuclei investigated. Calculations can be made with the computer program CYFP. Estimates of uncertainties in the yield estimates are given by equations, also in CYFP, and range from ∼ 15% for the highest yield values to several orders of magnitude for very small yield values. A summation method is used to calculate weighted average parameter values for fast-neutron (∼ fission spectrum) induced fission reactions
Brownian shape dynamics in fission
Randrup Jørgen; Möller Peter
2013-01-01
It was recently shown that remarkably accurate fission-fragment mass distributions are obtained by treating the nuclear shape evolution as a Brownian walk on previously calculated five-dimensional potentialenergy surfaces; the current status of this novel method is described here.
Brownian shape dynamics in fission
Directory of Open Access Journals (Sweden)
Randrup Jørgen
2013-12-01
Full Text Available It was recently shown that remarkably accurate fission-fragment mass distributions are obtained by treating the nuclear shape evolution as a Brownian walk on previously calculated five-dimensional potentialenergy surfaces; the current status of this novel method is described here.
International Nuclear Information System (INIS)
At this study, isotopic evolution of the sample E58-263 of assembly WZR0058 of Vandellos Unit II (PWR-Spain) is calculated with MONTEBURNS code system. The sample was exposed with different neutron spectrum because of its different core location at fuel different cycles. At fuel calculation, all fuel cycle burn-up history of Use sample is 1 considered consecutively by using the 'remove' and 'add' option of the MONTEBURNS code. The calculated results are compared with fuel measurement and with cycle by cycle calculation methodology results.
Dynamical effects in fission investigated at high excitation energy
Benlliure J.
2016-01-01
The experimental techniques used for the investigation of nuclear fission have progressed considerably during the last decade. Most of this progress is based on the use of the inverse kinematics technique allowing for the first time the complete isotopic and kinematic characterization of both fission fragments. These measurements make possible to characterize the fissioning system at saddle and at scission, and can be used to benchmark fission model calculations. One of the important ingredie...
Applications of Event-by-Event Fission Modeling with FREYA
Vogt R.; Randrup J.
2012-01-01
The recently developed code FREYA (Fission Reaction Event Yield Algorithm) generates large samples of complete fission events, consisting of two receding product nuclei as well as a number of neutrons and photons, all with complete kinematic information. Thus it is possible to calculate arbitrary correlation observables whose behavior may provide unique insight into the fission process. We first discuss the present status of FREYA, which has now been extended to include spontaneous fission. C...
International Nuclear Information System (INIS)
At the 1966 Conference on Nuclear Data for Reactors, simultaneous measurements of the capture and fission cross-sections of 233U and 235U were presented. Those measurements have now been analysed with the multilevel formalism developed by Adler and Adler. To obtain consistent sets of resonance parameters the capture and fission data were least-square fitted simultaneously. This analysis was carried out to 60 eV for 233U and to 100 eV for 235U. The main purpose of this analysis was to provide a simple and precise analytical description of the very complex structure of the fission and capture cross-sections of 233U and 235U at low energy. Such an analytical description should be useful to calculate reaction rates in nuclear reactors and to compare experimental data taken with different energy resolutions or at different sample temperatures. For the low-energy resonances of 233U and 235U, the neutron width is always smaller, by at least two orders of magnitude, than the total width. Thus, the total cross-section, for those isotopes, can be approximated as the sum of the absorption cross-section and the potential scattering cross-section. Hence it is possible to compute the total cross-section from the resonance parameters obtained by fitting the fission and capture cross-sections. The total cross-section of 235U computed by this method is compared to the data from a transmission measurement done at Saclay, with the sample at 77 deg. K. The computed total cross-section of 233U is compared with transmission data obtained at Oak Ridge National Laboratory and at the Material Testing Reactor. Such comparisons between data obtained by different experimental techniques illustrate the internal consistency of the low-energy cross-sections of the two main uranium fissile isotopes. The physical interpretation of the resonance parameters is somewhat ambiguous, because such multilevel fits are by no means unique. This is particularly true for 233U since, for this nucleus, the
Directory of Open Access Journals (Sweden)
Elso Manuel Cruz Cruz
2010-11-01
Full Text Available Background: The side chains attached to the 7-amino cephalosporanic acid, the structural basis of cephalosporin, condition its molecular properties and cause differences in its pharmacological action. Molecular modeling contributes to further knowledge about this relationship. Objective: To calculate structural and electronic properties of five cephalosporins: cephradine, cephalexin, cefadroxil, cefprozil and ceftobiprole. Methods: A theoretical study using quantum mechanics methods to model the structure and electronic properties of the cephalosporins listed above was conducted. Molecular geometries were optimized with semi-empirical calculations, according to the parameterized number three model. The molecular properties were calculated following the density functional theory. The densities of atomic charges and the frontier orbitals were analyzed. Comparisons were established to measure the effect of substituents on the properties of the beta-lactam ring. All calculations were run on personal computers belonging to the Medical Sciences University of Las Tunas, from November 2009 to March 2010. Results: The structural parameters of the beta-lactam ring do not change as a result of changes in the side chains. The ring has a marked tendency to planarity. The ceftobiprole is different from the rest of the cephalosporins in the spatial disposition of the side chain, which facilitates access to the carbonyl carbon. There are no significant variations in the charge densities, especially in the positive charge of this carbon. Conclusions: The structure and electronic properties of the beta-lactam ring have no significant changes among modeled cephalosporins. The three dimensional structure of ceftobiprole favors a higher reactivity.
Fission - track age of the Marjalahti Pallasite
International Nuclear Information System (INIS)
Full text: Investigation of fossil charged-particle tracks in various mineral phases of extraterrestrial samples is a powerful method for research the early stages of the solar system. Over geological time, meteorites crystals have accumulated a record of tracks produced by heavily charged energetic particles from both internal (spontaneous fission of 238U and some other extinct isotopes) and external sources (galactic cosmic rays with Z>20). The fortunate fact that meteorite grains can accumulate latent and very long-lived tracks since soon after the end of nucleosynthesis in the solar nebula enables one to decode their radiation history and to detect any thermal events in the meteorite cosmic history by revealing these tracks through suitable etching procedures. Only a few minerals in meteorites (mainly phosphates) contain small amount of uranium; the fact that 238U undergoes fission with fission-decay constant λf∼8.2x10-17 yr-1 allows one to use this isotope as a chronometer. By measuring the U concentration in the crystals (by reactor irradiation) and the density of the spontaneous-fission tracks it is relatively easy to calculate the 'fission-track age' if 238U is the main source of fission tracks. However the fission-track dating of extraterrestrial samples compared with the terrestrial ones has some peculiar features due to presence of a number of other potential track sources except the spontaneous fission of 238U, such as the spontaneous fission of presently extinct 244Pu, heavy nuclei of cosmic rays and induced fission by cosmic ray primaries. Only tracks from the spontaneous fission of U and Pu are suitable for fission-track dating. The competing effects of these fissioning elements, whose half-lives differ by a factor of ∼50, form a basis for a fission-track chronology for samples older than ∼ 4.0 Gyr. Over small intervals in time (∼ few x108 yr ) the track density from spontaneous fission of 238U is nearly constant. However, the contribution
Cold fission studies using a double-ionization chamber
International Nuclear Information System (INIS)
An investigation on spontaneous fission of 252Cf is described. Both fission fragments are detected coincidentally with a double ionization chamber as a 4 π detector. Special techniques are demonstrated which allow the determination of nuclear masses and charges for cold fission fragments. Detector properties such as systematic errors and their correction are studied with the help of α particles. (orig.)
Fission Characteristics of Heavy Nuclei: Statics and Dynamics
Back, Birger B.
1999-01-01
This paper presents a selective historical perspective of fission research over the last thirty-five years while Ray Nix has made central contributions to the field. The emphasis is placed on early studies of the shell stabilized secondary minimum in the static fission barrier and on the dynamic properties of fission of hot nuclei, which have recently been the focus of intense study.
WASP: A flexible FORTRAN 4 computer code for calculating water and steam properties
Hendricks, R. C.; Peller, I. C.; Baron, A. K.
1973-01-01
A FORTRAN 4 subprogram, WASP, was developed to calculate the thermodynamic and transport properties of water and steam. The temperature range is from the triple point to 1750 K, and the pressure range is from 0.1 to 100 MN/m2 (1 to 1000 bars) for the thermodynamic properties and to 50 MN/m2 (500 bars) for thermal conductivity and to 80 MN/m2 (800 bars) for viscosity. WASP accepts any two of pressure, temperature, and density as input conditions. In addition, pressure and either entropy or enthalpy are also allowable input variables. This flexibility is especially useful in cycle analysis. The properties available in any combination as output include temperature, density, pressure, entropy, enthalpy, specific heats, sonic velocity, viscosity, thermal conductivity, surface tension, and the Laplace constant. The subroutine structure is modular so that the user can choose only those subroutines necessary to his calculations. Metastable calculations can also be made by using WASP.
Heat and fission product transport in molten core material pool with crust
International Nuclear Information System (INIS)
Heat transfer and fluid flow in a molten pool are influenced by internal volumetric heat generated from the radioactive decay of fission product species retained in the reactor vessel during a severe accident. The pool superheat is determined based on the overall energy balance that equates the heat production rate to the heat loss rate. Decay heat of fission products in the pool is estimated by product of the mass concentration and energy conversion factor of each fission product. Twenty-nine elements are chosen and classified by their chemical properties to calculate heat generation rate in the pool. The mass concentration of a fission product is obtained from released fraction and the tabular output of the ORIGEN 2 code. The initial core and pool inventories at each time can also be estimated using ORIGEN 2. The released fraction of each fission product is calculated based on the bubble dynamics and mass transport. Numerical analysis is performed for heat and fission product transport in a molten core material pool during the Three Mile Island Unit 2 (TMI-2) accident. The pool is assumed to be a partially filled hemisphere, whose change in geometry is neglected during the numerical calculation. Calculated results indicate that the peak temperature in the molten pool is significantly lowered, since a substantial amount of the volatile fission products is released from the molten pool during progression of the accident. The results may directly be applied to the existing severe accident analysis codes to more mechanistically determine the thermal load to the reactor vessel lower head during the in-vessel retention
Nuclear fission and neutron-induced fission cross-sections
James, G D; Michaudon, A; Michaudon, A; Cierjacks, S W; Chrien, R E
2013-01-01
Nuclear Fission and Neutron-Induced Fission Cross-Sections is the first volume in a series on Neutron Physics and Nuclear Data in Science and Technology. This volume serves the purpose of providing a thorough description of the many facets of neutron physics in different fields of nuclear applications. This book also attempts to bridge the communication gap between experts involved in the experimental and theoretical studies of nuclear properties and those involved in the technological applications of nuclear data. This publication will be invaluable to those interested in studying nuclear fis
Nuclear Fission as a Markov Process
International Nuclear Information System (INIS)
Starting from the assumption of a random transfer of nucleons between the two sides of a; fissioning nucleus, during the time from saddle point to scission, it is shown that the mass distribution data in low, intermediate and high energy fission can be given a reasonable -explanation based on the ground state properties of nuclei. The theory is extended to explain the shape of the deformation energy mass curves. These relations follow as a direct consequence of the equilibrium conditions that determine the mass distributions while the gap in the ''zig-zag'' curves is essentially due to the proton transfers. The time of fission is shown to be about 500 nucleonic times in thermal fission and this results from the properties of the transition matrix. The theory is also able to explain the small range of the threshold energies of fission, and the formation of a symmetry axis early in the process. (author)
Vibrational properties of amorphous silicon from tight-binding O(N) calculation
Biswas, Parthapratim
2001-01-01
We present an O(N) algorithm to study the vibrational properties of amorphous silicon within the framework of tight-binding approach. The dynamical matrix elements have been evaluated numerically in the harmonic approximation exploiting the short-range nature of the density matrix to calculate the vibrational density of states which is then compared with the same obtained from a standard O($N^4$) algorithm. For the purpose of illustration, an 1000-atom model is studied to calculate the locali...
Calculating the thermodynamic properties of planar and spherical liquid-vapour interface
International Nuclear Information System (INIS)
We present results of calculations of the equilibrium density profile and related surface properties for liquid-vapour interface of simple fluids. The interface has been considered A) Planar, B) Spherical, with some attention to the stability of small liquid droplets. These calculations are based on the Density Functional Theory (DFT), in particular, the gradient approximation, in conjunction with the simplified Random Phase Approximation (RPA) Bhatia-Young model for the bulk liquid. (author). 19 refs, 6 figs, 2 tabs
Ab-Initio Calculations of Electronic Properties of InP and GaP
Malozovsky, Y.; Franklin, L.; Ekuma, E. C.; Zhao, G. L.; Bagayoko, D.
2013-06-01
We present results from ab-initio, self-consistent local density approximation (LDA) calculations of electronic and related properties of zinc blende indium phosphide (InP) and gallium phosphide (GaP). We employed a LDA potential and implemented the linear combination of atomic orbitals (LCAO) formalism. This implementation followed the Bagayoko, Zhao and Williams (BZW) method, as enhanced by Ekuma and Franklin (BZW-EF). This method searches for the optimal basis set that yields the minima of the occupied energies. This search entails increases of the size of the basis set and the related modifications of angular symmetry and of radial orbitals. Our calculated, direct band gap of 1.398 eV (1.40 eV), at the Γ point, is in excellent agreement with experimental values, for InP, and our preliminary result for the indirect gap of GaP is 2.135 eV, from the Γ to X high symmetry points. We have also calculated electron and hole effective masses for both InP and GaP. These calculated properties also agree with experimental findings. We conclude that the BZW-EF method could be employed in calculations of electronic properties of high-Tc superconducting materials to explain their complex properties.
The measurement of extreme nuclear deformation of fission isomers
International Nuclear Information System (INIS)
Existence and properties of spontaneously fissioning isomers are discussed as consequences of a double fission barrier. The measurement of the quadrupole moment of the fission-isomeric state by the new developed method for the determination of lifetimes of excited states yields to a prolate shape of the the nucleus. The deformation ratio is 2:1 in the second minimum of the fission potential. (orig./WL)
New theoretical development for the calculating of physical properties of D2O
International Nuclear Information System (INIS)
In this work we have developed a new method for calculating the physical properties of heavy water, D2O, using the Helmholtz free energy state function, A = U − T S, exclusively for this molecule. The state function has been calculated as ā = ā0 +ā1 (specific dimensionless values), where ā0 is related to the properties of heavy water in gaseous state and ā1 describes the liquid state. The canonical variables of the state function are absolute temperature and volume. To calculate the physical properties defining absolute pressure and temperature, here a variable change method was developed, based on the solution of a differential equation (function ζ) using numerical algorithms (scaling and Newton-Raphson). Physical quantities calculated are: density ϱ(specific volume υ), specific enthalpy h and entropy s. The results obtained agree completely with the values calculated by the National Institute of Standards and Technology (NIST). In this report it has also proposed an adjustment function to calculate the saturation absolute temperature of heavy water as a function of the pressure: Ts(p) = exp[a·b(p)], where a is a vector of constant coefficients and b a vector function of pressure, using theoretical values and extending the wording proposed by the Oak Ridge National Laboratory. The new setting has an error less than 0.03%. (author)
Electronic properties of tantalum pentoxide polymorphs from first-principles calculations
Lee, J.; Lu, W.; Kioupakis, E.
2014-11-01
Tantalum pentoxide (Ta2O5) is extensively studied for its attractive properties in dielectric films, anti-reflection coatings, and resistive switching memory. Although various crystalline structures of tantalum pentoxide have been reported, its structural, electronic, and optical properties still remain a subject of research. We investigate the electronic and optical properties of crystalline and amorphous Ta2O5 structures using first-principles calculations based on density functional theory and the GW method. The calculated band gaps of the crystalline structures are too small to explain the experimental measurements, but the amorphous structure exhibits a strong exciton binding energy and an optical band gap (˜4 eV) in agreement with experiment. We determine the atomic orbitals that constitute the conduction band for each polymorph and analyze the dependence of the band gap on the atomic geometry. Our results establish the connection between the underlying structure and the electronic and optical properties of Ta2O5.
First-Principles Calculations of Elastic and Thermal Properties of Lanthanum Hexaboride
International Nuclear Information System (INIS)
The plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the bulk modulus, thermal expansion coefficient and heat capacity of LaB6. The quasi-harmonic Debye model, using a set of total energy versus volume obtained with the plane-wave pseudopotential method, is applied to the study of the thermal properties and vibrational effects. We analyse the bulk modulus of LaB6 up to 1500 K. The elastic properties calculations show that our system is mechanically stable. For the heat capacity and the thermal expansion, significant differences in properties are observed above 300K. The calculated zero pressure bulk modulus is in good agreement with the experimental data. Moreover, the Debye temperatures are determined from the non-equilibrium Gibbs functions and compared to available data. (condensed matter: structure, mechanical and thermal properties)
Electronic properties of tantalum pentoxide polymorphs from first-principles calculations
International Nuclear Information System (INIS)
Tantalum pentoxide (Ta2O5) is extensively studied for its attractive properties in dielectric films, anti-reflection coatings, and resistive switching memory. Although various crystalline structures of tantalum pentoxide have been reported, its structural, electronic, and optical properties still remain a subject of research. We investigate the electronic and optical properties of crystalline and amorphous Ta2O5 structures using first-principles calculations based on density functional theory and the GW method. The calculated band gaps of the crystalline structures are too small to explain the experimental measurements, but the amorphous structure exhibits a strong exciton binding energy and an optical band gap (∼4 eV) in agreement with experiment. We determine the atomic orbitals that constitute the conduction band for each polymorph and analyze the dependence of the band gap on the atomic geometry. Our results establish the connection between the underlying structure and the electronic and optical properties of Ta2O5
Theoretical Calculations of Refractive Properties for Hg3Te2Cl2 Crystals.
Bokotey, O V
2016-12-01
This paper reviews the optical properties, such as refractive index, optical dielectric constant, and reflection coefficient of the Hg3Te2Cl2 crystals. The applications of the Hg3X2Y2 crystals as electronic, optical, and optoelectronic devices are very much determined by the nature and magnitude of these fundamental material properties. The origin of chemical bonding in the crystals is very important for definition of the physical and chemical properties. The main structural feature of the Hg3X2Y2 crystals is the presence of covalent pyramids [XHg3] and linear X-Hg-X groups. Optical properties are calculated according to the model proposed by Harrison. The refractive index in the spectral region far from the absorption edge is determined within the generalized single-oscillator model. The calculated results are found to be in good agreement with experimental data. PMID:27184964
Yano, Masato; Hirose, Kenji; Yoshikawa, Minoru; Thermal management technology Team
Facile property calculation model for adsorption chillers was developed based on equilibrium adsorption cycles. Adsorption chillers are one of promising systems that can use heat energy efficiently because adsorption chillers can generate cooling energy using relatively low temperature heat energy. Properties of adsorption chillers are determined by heat source temperatures, adsorption/desorption properties of adsorbent, and kinetics such as heat transfer rate and adsorption/desorption rate etc. In our model, dependence of adsorption chiller properties on heat source temperatures was represented using approximated equilibrium adsorption cycles instead of solving conventional time-dependent differential equations for temperature changes. In addition to equilibrium cycle calculations, we calculated time constants for temperature changes as functions of heat source temperatures, which represent differences between equilibrium cycles and real cycles that stemmed from kinetic adsorption processes. We found that the present approximated equilibrium model could calculate properties of adsorption chillers (driving energies, cooling energies, and COP etc.) under various driving conditions quickly and accurately within average errors of 6% compared to experimental data.
International Nuclear Information System (INIS)
The structural, electronic and magnetic properties of free standing Au-Pd bimetallic atomic chain is studied using ab-initio method. It is found that electronic and magnetic properties of chains depend on position of atoms and number of atoms. Spin polarization factor for different atomic configuration of atomic chain is calculated predicting a half metallic behavior. It suggests a total spin polarised transport in these chains
A compilation of structural property data for computer impact calculation (5/5)
International Nuclear Information System (INIS)
The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 5 involve structural property data of wood. (author)
A compilation of structural property data for computer impact calculation (4/5)
International Nuclear Information System (INIS)
The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 4 involve structural property data of lead. (author)
International Nuclear Information System (INIS)
The effective energy released in and following the fission of U-235, Pu-239 and Pu-241 by thermal neutrons, and of U-238 by fission spectrum neutrons, is discussed. The recommended values are: U-235 ... 192.9 ± 0.5 MeV/fission; U-238 ... 193.9 ± 0.8 MeV/fission; Pu-239 ... 198.5 ± 0.8 MeV/fission; Pu-241 ... 200.3 ± 0.8 MeV/fission. These values include all contributions except from antineutrinos and very long-lived fission products. The detailed contributions are discussed, and inconsistencies in the experimental data are pointed out. In Appendix A, the contribution to the total useful energy release in a reactor from reactions other than fission are discussed briefly, and in Appendix B there is a discussion of the variations in effective energy from fission with incident neutron energy. (author)
Thorium-uranium fission radiography
Haines, E. L.; Weiss, J. R.; Burnett, D. S.; Woolum, D. S.
1976-01-01
Results are described for studies designed to develop routine methods for in-situ measurement of the abundance of Th and U on a microscale in heterogeneous samples, especially rocks, using the secondary high-energy neutron flux developed when the 650 MeV proton beam of an accelerator is stopped in a 42 x 42 cm diam Cu cylinder. Irradiations were performed at three different locations in a rabbit tube in the beam stop area, and thick metal foils of Bi, Th, and natural U as well as polished silicate glasses of known U and Th contents were used as targets and were placed in contact with mica which served as a fission track detector. In many cases both bare and Cd-covered detectors were exposed. The exposed mica samples were etched in 48% HF and the fission tracks counted by conventional transmitted light microscopy. Relative fission cross sections are examined, along with absolute Th track production rates, interaction tracks, and a comparison of measured and calculated fission rates. The practicality of fast neutron radiography revealed by experiments to data is discussed primarily for Th/U measurements, and mixtures of other fissionable nuclei are briefly considered.
Knyazev, D V
2013-01-01
This work is devoted to the \\textit{ab initio} calculation of transport and optical properties of aluminum. The calculation is based on the quantum molecular dynamics simulation, density functional theory and the Kubo-Greenwood formula. Mainly the calculations are performed for liquid aluminum at near-normal densities for the temperatures from melting up to 20000 K. The results on dynamic electrical conductivity, static electrical conductivity and thermal conductivity are obtained and compared with available reference and experimental data and the calculations of other authors. The influence of the technical parameters on the results is investigated in detail. The error of static electrical conductivity calculation is estimated to be about 20%; more accurate results require bigger number of atoms.
Huang, Zuocai; Zhang, Lei; Pan, Wei
2013-09-01
Pure zircon and scheelite LuVO4 were prepared by solid state reaction and high-pressure route, respectively. Structure, elastic constants, lattice dynamics and thermodynamics of LuVO4 polymorphs were studied by experiments and first principles calculation. Calculations here are in good agreement with the experimental results. The phonon dispersions of LuVO4 polymorphs were studied by the linear response method. The calculated phonon dispersions show that zircon and scheelite LuVO4 phases are dynamically stable. Raman-active frequencies were measured and assigned to different modes according to the calculations. The internal frequencies shift downward after phase transition from zircon to scheelite. Born effective charge tensors elements for both phases are analyzed. The finite temperature thermodynamic properties of LuVO4 polymorphs were calculated from the obtained phonon density of states by quasi-harmonic approach.
Macroscopic-microscopic calculations of ground state properties of superheavy nuclei
Institute of Scientific and Technical Information of China (English)
ZHI Qi-jun; Mao Ying-chen; REN Zhong-zhou
2006-01-01
We systematically calculate the ground state properties of superheavy even-even nuclei with proton number Z=94-118.The calculations are based on the liquid drop macroscopic model and the microscopic model with the modified single-particle oscillator potential. The calculated binding energies and α-decay energies agree well with the experimental data.The reliability of the macroscopic-microscopic(MM)model for superheavy nuclei is confirmed by the good agreement between calculated results and experimental ones. Detailed comparisons between our calculations and M(o)ller's are made.It is found that the calculated results also agree with M(o)ller's results and that the MM model is insensitive to the microscopic single-particle potential. Calculated results are also compared with results from relativistic mean-field (RMF)model and from Skyrme-Hatree-Fock(SHF) model.In addition,half-lives,deformations and shape coexistence are also investigated.The properties of some unknown nuclei are predicted and they will be useful for future experimental researches of superheavy nuclei.
Heterogeneous Calculation of ε
International Nuclear Information System (INIS)
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
The ab initio calculation of molecular electric, magnetic and geometric properties.
Bast, Radovan; Ekström, Ulf; Gao, Bin; Helgaker, Trygve; Ruud, Kenneth; Thorvaldsen, Andreas J
2011-02-21
We give an account of some recent advances in the development of ab initio methods for the calculation of molecular response properties, involving electric, magnetic, and geometric perturbations. Particular attention is given to properties in which the basis functions depend explicitly both on time and on the applied perturbations such as perturbations involving nuclear displacements or external magnetic fields when London atomic orbitals are used. We summarize a general framework based on the quasienergy for the calculation of arbitrary-order molecular properties using the elements of the density matrix in the atomic-orbital basis as the basic variables. We demonstrate that the necessary perturbed density matrices of arbitrary order can be determined from a set of linear equations that have the same formal structure as the set of linear equations encountered when determining the linear response equations (or time-dependent self-consistent-field equations). Additional components needed to calculate properties involving perturbation-dependent basis sets are flexible one- and two-electron integral techniques for geometric or magnetic-field differentiated integrals; in Kohn-Sham density-functional theory (KS-DFT), we also need to calculate derivatives of the exchange-correlation functional. We describe a recent proposal for evaluating these contributions based on automatic differentiation. Within this framework, it is now possible to calculate any molecular property for an arbitrary self-consistent-field reference state, including two- and four-component relativistic self-consistent-field wave functions. Examples of calculations that can be performed with this formulation are presented. PMID:21180690
Delocalization error and "functional tuning" in Kohn-Sham calculations of molecular properties.
Autschbach, Jochen; Srebro, Monika
2014-08-19
Kohn-Sham theory (KST) is the "workhorse" of numerical quantum chemistry. This is particularly true for first-principles calculations of ground- and excited-state properties for larger systems, including electronic spectra, electronic dynamic and static linear and higher order response properties (including nonlinear optical (NLO) properties), conformational or dynamic averaging of spectra and response properties, or properties that are affected by the coupling of electron and nuclear motion. This Account explores the sometimes dramatic impact of the delocalization error (DE) and possible benefits from the use of long-range corrections (LC) and "tuning" of functionals in KST calculations of molecular ground-state and response properties. Tuning refers to a nonempirical molecule-specific determination of adjustable parameters in functionals to satisfy known exact conditions, for instance, that the energy of the highest occupied molecular orbital (HOMO) should be equal to the negative vertical ionization potential (IP) or that the energy as a function of fractional electron numbers should afford straight-line segments. The presentation is given from the viewpoint of a chemist interested in computations of a variety of molecular optical and spectroscopic properties and of a theoretician developing methods for computing such properties with KST. In recent years, the use of LC functionals, functional tuning, and quantifying the DE explicitly have provided valuable insight regarding the performance of KST for molecular properties. We discuss a number of different molecular properties, with examples from recent studies from our laboratory and related literature. The selected properties probe different aspects of molecular electronic structure. Electric field gradients and hyperfine coupling constants can be exquisitely sensitive to the DE because it affects the ground-state electron density and spin density distributions. For π-conjugated molecules, it is shown how the
Inclusive spectra of hadrons created by color tube fission 1. Probability of tube fission
Gedalin, E. V.
1997-01-01
The probability of color tube fission that includes the tube surface small oscillation corrections is obtained with pre-exponential factor accuracy on the basis of previously constructed color tube model. Using these expressions the probability of the tube fission in $n$ point is obtained that is the basis for calculation of inclusive spectra of produced hadrons.
Fission investigations and evaluation activities at IRMM
International Nuclear Information System (INIS)
The IRMM has a longstanding tradition in the field of neutron induced fission physics studies. It is especially well equipped with world-class facilities as the high resolution neutron time-of-flight spectrometer GELINA and the 7 MV Van de Graaff accelerator for the quasi-monoenergetic neutron production. During the past decade several neutron induced fission reactions have been studied in the energy range from eV up to 6 MeV and spontaneous fission. The isotopes under investigation were 235,238 U(n,f), 239 Pu(n,f), 237 Np(n,f), 252 Cf(SF) and 233 Pa(n,f). For all isotopes but 233 Pa, the fission fragment mass-yield and total kinetic energy distributions were measured. 233 Pa was only investigated for the fission cross-section. The results have been described within the multi-modal fission model. The three most dominant fission modes, the two asymmetric standard I (S1) and standard II (S2) as well as the the symmetric superlong mode were used for all the isotopes but 252 Cf. For this isotope at least one other fission mode had to be taken into account, the so--called standard III (S3) mode. Since the theoretical interpretation of experimental results was rather successful also an attempt was made to improve the evaluation of the respective fission cross-section as well as their neutron multiplicities and spectra. Here, the statistical model for fission cross-section evaluation was extended by including the multi-modality concept for fission. Based on the underlying model, separate outer fission barriers have been considered for each mode, while the inner barriers and isomeric wells are assumed to be the same. The self-consistent calculations of the fission cross-section as well as total, capture, elastic and inelastic cross-sections were in good agreement with the experimental data and evaluated nuclear data libraries. As a side product, also fission fragment mass yield distributions have been deduced at incident neutron energies hitherto unaccessible. Very
Energy Technology Data Exchange (ETDEWEB)
Bonneau, L
2003-11-01
A lot of experimental data on nuclear fission has been being collected for the last 65 years, allowing theoreticians to confront their models with reality. The first part of this work is dedicated to the computation of fission barriers. We have extended the HF + BCS (Hartree Fock + Bandeen-Cooper-Schrieffer) method in order to include a new set of polynomials on which wave functions can be broken to, more accurately than on Hermite's polynomials in the 2 fragment configuration. The fission barriers of 26 heavy nuclei from Thorium-230 to Nobelium-256 have been assessed and compared to experimental data, it appears that differences are no greater than 1 MeV. We have discovered a neat correlation between the variation of the experimental fission lifetimes of even Fermium isotopes and the computed heights of second barriers. Moreover our model reproduces the hyper-deformed well of Thorium-230 with a good agreement on the well depth. The second part deals with the scission region. We have performed Hartree-Fock calculations in order to explore different ways of fragmentation. We have shown that the harmonic oscillator gives a valid description of such ways. In order to compute the mean value of J{sup 2} in the fragments we have been driven to propose an adequate definition of that quantity consistent with the non-locality property of the J{sup 2} operator. (A.C.)
Energy Dependence of Plutonium Fission-Product Yields
International Nuclear Information System (INIS)
A method is developed for interpolating between and/or extrapolating from two pre-neutron-emission first-chance mass-asymmetric fission-product yield curves. Measured 240Pu spontaneous fission and thermal-neutron-induced fission of 239Pu fission-product yields (FPY) are extrapolated to give predictions for the energy dependence of the n + 239Pu FPY for incident neutron energies from 0 to 16 MeV. After the inclusion of corrections associated with mass-symmetric fission, prompt-neutron emission, and multi-chance fission, model calculated FPY are compared to data and the ENDF/B-VII.1 evaluation. The ability of the model to reproduce the energy dependence of the ENDF/B-VII.1 evaluation suggests that plutonium fission mass distributions are not locked in near the fission barrier region, but are instead determined by the temperature and nuclear potential-energy surface at larger deformation.
Energy Dependence of Plutonium Fission-Product Yields
Lestone, J. P.
2011-12-01
A method is developed for interpolating between and/or extrapolating from two pre-neutron-emission first-chance mass-asymmetric fission-product yield curves. Measured 240Pu spontaneous fission and thermal-neutron-induced fission of 239Pu fission-product yields (FPY) are extrapolated to give predictions for the energy dependence of the n + 239Pu FPY for incident neutron energies from 0 to 16 MeV. After the inclusion of corrections associated with mass-symmetric fission, prompt-neutron emission, and multi-chance fission, model calculated FPY are compared to data and the ENDF/B-VII.1 evaluation. The ability of the model to reproduce the energy dependence of the ENDF/B-VII.1 evaluation suggests that plutonium fission mass distributions are not locked in near the fission barrier region, but are instead determined by the temperature and nuclear potential-energy surface at larger deformation.
Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF5 from First-Principles Calculations
Directory of Open Access Journals (Sweden)
Han Han
2015-12-01
Full Text Available Recently, a noncentrosymmetric crystal, KNaNbOF5, has attracted attention due to its potential to present piezoelectric properties. Although α- and β-KNaNbOF5 are similar in their stoichiometries, their structural frameworks, and their synthetic routes, the two phases exhibit very different properties. This paper presents, from first-principles calculations, comparative studies of the structural, electronic, piezoelectric, and elastic properties of the α and the β phase of the material. Based on the Christoffel equation, the slowness surface of the acoustic waves is obtained to describe its acoustic prosperities. These results may benefit further applications of KNaNbOF5.
Bordbar, G. H.
2001-01-01
One of the most interesting application of the many-body methods to the nuclear physics is the calculation of the properties of the nuclear matter, especially its binding energy. In this paper, we have studied the influence of Δ -isobar on the properties of the symmetrical nuclear matter using the lowest order constrained variational (LOCV) method with the V28 potential. It is shown that the inclusion of Δ- isobar substantially affect the saturation properties of the symmetrical nuclear mat...
Theory and applications of the fission matrix method for continuous-energy Monte Carlo
International Nuclear Information System (INIS)
Highlights: • The fission matrix method is implemented into the MCNP Monte Carlo code. • Eigenfunctions and eigenvalues of power distributions are shown and studied. • Source convergence acceleration is demonstrated for a fuel storage vault problem. • Forward flux eigenmodes and relative uncertainties are shown for a reactor problem. • Eigenmodes expansions are performed during source convergence for a reactor problem. - Abstract: The fission matrix method can be used to provide estimates of the fundamental mode fission distribution, the dominance ratio, the eigenvalue spectrum, and higher mode forward and adjoint eigenfunctions of the fission distribution. It can also be used to accelerate the convergence of power method iterations and to provide basis functions for higher-order perturbation theory. The higher-mode fission sources can be used to determine higher-mode forward fluxes and tallies, and work is underway to provide higher-mode adjoint-weighted fluxes and tallies. These aspects of the method are here both theoretically justified and demonstrated, and then used to investigate fundamental properties of the transport equation for a continuous-energy physics treatment. Implementation into the MCNP6 Monte Carlo code is also discussed, including a sparse representation of the fission matrix, which permits much larger and more accurate representations. Properties of the calculated eigenvalue spectrum of a 2D PWR problem are discussed: for a fine enough mesh and a sufficient degree of sampling, the spectrum both converges and has a negligible imaginary component. Calculation of the fundamental mode of the fission matrix for a fuel storage vault problem shows how convergence can be accelerated by over a factor of ten given a flat initial distribution. Forward fluxes and the relative uncertainties for a 2D PWR are shown, both of which qualitatively agree with expectation. Lastly, eigenmode expansions are performed during source convergence of the 2D PWR
Consensus structure elucidation combining GC/EI-MS, structure generation, and calculated properties.
Schymanski, Emma L; Gallampois, Christine M J; Krauss, Martin; Meringer, Markus; Neumann, Steffen; Schulze, Tobias; Wolf, Sebastian; Brack, Werner
2012-04-01
This article explores consensus structure elucidation on the basis of GC/EI-MS, structure generation, and calculated properties for unknown compounds. Candidate structures were generated using the molecular formula and substructure information obtained from GC/EI-MS spectra. Calculated properties were then used to score candidates according to a consensus approach, rather than filtering or exclusion. Two mass spectral match calculations (MOLGEN-MS and MetFrag), retention behavior (Lee retention index/boiling point correlation, NIST Kovat's retention index), octanol-water partitioning behavior (log K(ow)), and finally steric energy calculations were used to select candidates. A simple consensus scoring function was developed and tested on two unknown spectra detected in a mutagenic subfraction of a water sample from the Elbe River using GC/EI-MS. The top candidates proposed using the consensus scoring technique were purchased and confirmed analytically using GC/EI-MS and LC/MS/MS. Although the compounds identified were not responsible for the sample mutagenicity, the structure-generation-based identification for GC/EI-MS using calculated properties and consensus scoring was demonstrated to be applicable to real-world unknowns and suggests that the development of a similar strategy for multidimensional high-resolution MS could improve the outcomes of environmental and metabolomics studies. PMID:22414024
Elastic and Thermal Properties of Silicon Compounds from First-Principles Calculations
Hou, Haijun; Zhu, H. J.; Cheng, W. H.; Xie, L. H.
2016-07-01
The structural and elastic properties of V-Si (V3Si, VSi2, V5Si3, and V6Si5) compounds are studied by using first-principles method. The calculated equilibrium lattice parameters and formation enthalpy are in good agreement with the available experimental data and other theoretical results. The calculated results indicate that the V-Si compounds are mechanically stable. Elastic properties including bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also obtained. The elastic anisotropies of V-Si compounds are investigated via the three-dimensional (3D) figures of directional dependences of reciprocals of Young's modulus. Finally, based on the quasi-harmonic Debye model, the internal energy, Helmholtz free energy, entropy, heat capacity, thermal expansion coefficient, Grüneisen parameter, and Debye temperature of V-Si compounds have been calculated.
First-Principles Calculations of Elastic and Thermal Properties of Molybdenum Disilicide
Institute of Scientific and Technical Information of China (English)
ZHU Zun-Lue; FU Hong-Zhi; SUN Jin-Feng; LIU Yu-Fang; SHI De-Heng; XU Guo-Liang
2009-01-01
The first-principles plane-wave pseudopotential method using the generalized gradient approximation within the framework of density functional theory is applied to anaylse the equilibrium lattice parameters,six independent elastic constants,bulk moduli,thermal expansions and heat capacities of MoSi2.The quasi-harmonic Debye model,using a set of total energy versus cell volume obtained with the plane-wave pseudopotential method,is applied to the study of the elastic properties,thermodynamic properties and vibrational effects.The calculated zero pressure elastic constants are in overall good agreement with the experimental data.The calculated heat capacities and the thermal expansions agree well with the observed values under ambient conditions and those calculated by others.The results show that the temperature has hardly any effect under high pressure.
Dielectric band structure of crystals: General properties, and calculations for silicon
International Nuclear Information System (INIS)
We shift the dielectric band structure method, orginially proposed by Baldereschi and Tosatti for the description of microscopic electronic screening in crystals. Some general properties are examined first, including the requirements of causality and stability. The specific test case of silicon is then considered. Dielectric bands are calculated, according to several different prescriptions for the construction of the dielectric matrix. It is shown that the results allow a very direct appraisal of the screening properties of the system, as well as of the quality of the dielectric model adopted. The electronic charge displacement induced by γsub(25') and X3 phonon-like displacements of the atoms is also calculated and compared with the results of existent full self-consistent calculations. Conclusions are drawn on the relative accuracies of the dielectric band structures. (author)
Elastic and thermodynamic properties of Fe3Ga from first-principles calculations
Lin, Ya-Ning; Li, Lin-Ling; Yan, Xiang-Hong; Zhang, Ya-Ping; Zhang, Dong-yun; Zhang, Peng
2016-03-01
First-principles calculations within the framework of density functional theory (DFT) are performed to investigate the elastic and thermodynamic properties of DO3-type Fe3Ga alloy. The obtained lattice constants and the bulk modulus are in good agreement with available experimental data. In terms of the calculated formation energy and Poisson's ratio, the Fe3Ga alloy is mechanically stable and exhibit a negative Poisson's ratio of -0.81 along the direction. The thermodynamic properties such as the Gibbs free energy, thermal expansion, and the specific heat are obtained by the first-principles phonon calculations with the quasiharmonic approximation method. The predicted coefficient of linear thermal expansion and specific heat may provide a helpful reference for experimental work.
JNDC nuclear data library of fission products
International Nuclear Information System (INIS)
The JNDC (Japanese Nuclear Data Committee) FP (Fission Product) nuclear data library for 1172 fission products is described in this report. The gross theory of beta decay has been used extensively for estimating unknown decay data and also some of known decay data with poor accuracy. The calculated decay powers of fission products using the present library show excellent agreement with the latest measurements at ORNL (Oak Ridge National Laboratory), LANL (Los Alamos National Laboratory) and UTT (University of Tokyo, Tokai) for cooling times shorter than 103 s after irradiation. The calculated decay powers by the existing libraries showed systematic deviations at short cooling times; the calculated beta and gamma decay powers after burst fission were smaller than the experimental results for cooling times shorter than 10 s, and in the cooling time range 10 to 103 s the beta-decay power was larger than the measured values and the gamma decay power smaller than the measured results. The present JNDC FP nuclear data library resolved these discrepancies in the short cooling time ranges. The decay power of fission products has been calculated for ten fission types and the results have been fitted by an analytical function with 31 exponentials. This permits the easy application of the present results of decay power calculations to a LOCA (Loss-of-Coolant Accident) analysis of a light water reactor and so on. (author)
Fission dynamics within time-dependent Hartree-Fock. II. Boost-induced fission
Goddard, Philip; Stevenson, Paul; Rios, Arnau
2016-01-01
Background: Nuclear fission is a complex large-amplitude collective decay mode in heavy nuclei. Microscopic density functional studies of fission have previously concentrated on adiabatic approaches based on constrained static calculations ignoring dynamical excitations of the fissioning nucleus and the daughter products. Purpose: We explore the ability of dynamic mean-field methods to describe induced fission processes, using quadrupole boosts in the nuclide 240Pu as an example. Methods: Following upon the work presented in Goddard et al. [Phys. Rev. C 92, 054610 (2015)], 10.1103/PhysRevC.92.054610, quadrupole-constrained Hartree-Fock calculations are used to create a potential energy surface. An isomeric state and a state beyond the second barrier peak are excited by means of instantaneous as well as temporally extended gauge boosts with quadrupole shapes. The subsequent deexcitation is studied in a time-dependent Hartree-Fock simulation, with emphasis on fissioned final states. The corresponding fission fragment mass numbers are studied. Results: In general, the energy deposited by the quadrupole boost is quickly absorbed by the nucleus. In instantaneous boosts, this leads to fast shape rearrangements and violent dynamics that can ultimately lead to fission. This is a qualitatively different process than the deformation-induced fission. Boosts induced within a finite time window excite the system in a relatively gentler way and do induce fission but with a smaller energy deposition. Conclusions: The fission products obtained using boost-induced fission in time-dependent Hartree-Fock are more asymmetric than the fragments obtained in deformation-induced fission or the corresponding adiabatic approaches.
Vivès, F; Bax, H; Oberstedt, S
2000-01-01
The fission fragment properties of the reaction sup 2 sup 3 sup 8 U(n,f) have been studied, at different incident neutron energies ranging from E sub n =1.2 to 5.8 MeV. The pre-neutron emission mass, kinetic energy and fission fragment angular distributions have been investigated with a double Frisch-gridded ionization chamber. The influence of the subthreshold vibrational resonances and of the proton pairing effect on the fission fragment properties is clearly visible. The total kinetic energy averaged over all fission fragment masses TKEbar shows an increasing trend up to E sub n =3.5 MeV with a sudden drop at roughly E sub n =3.8 MeV which has been attributed to the onset of pair breaking at the barrier. Above E sub n =3.8 MeV, the TKEbar is again continuously increasing. The changes in the mass yield and TKEbar(A) distributions have been studied as a function of the compound nuclear excitation energy and their contribution to the observed variations in the TKEbar have been determined. The two-dimensional ...
Study of asymmetric fission yield behavior from neutron-deficient Hg isotope
Energy Technology Data Exchange (ETDEWEB)
Perkasa, Y. S. [Department of Physics, Sunan Gunung Djati State Islamic University Bandung, Jl. A.H Nasution No. 105 Cibiru, Bandung (Indonesia); Waris, A., E-mail: awaris@fi.itb.ac.id; Kurniadi, R., E-mail: awaris@fi.itb.ac.id; Su' ud, Z., E-mail: awaris@fi.itb.ac.id [Nuclear Physics and Biophysics Research Division, Department of Physics, Faculty of Mathematics and Natural Sciences, Institut Teknologi Bandung, Jl. Ganesa No. 10 Bandung 40132 (Indonesia)
2014-09-30
A study of asymmetric fission yield behavior from a neutron-deficient Hg isotope has been conducted. The fission yield calculation of the neutron-deficient Hg isotope using Brownian Metropolis shape had showed unusual result at decreasing energy. In this paper, this interesting feature will be validated by using nine degree of scission shapes parameterization from Brosa model that had been implemented in TALYS nuclear reaction code. This validation is intended to show agreement between both model and the experiment result. The expected result from these models considered to be different due to dynamical properties that implemented in both models.
Conservation of Isospin in Neutron-rich Fission Fragments
International Nuclear Information System (INIS)
On the occasion of the 75th anniversary of the fission phenomenon, we present a surprisingly simple result which highlights the important role of isospin and its conservation in neutron rich fission fragments. We have analysed the fission fragment mass distribution from two recent heavyion reactions 238U(18O,f) and 208Pb(18O,f) as well as a thermal neutron fission reaction 245Cm(nth,f). We find that the conservation of the total isospin explains the overall trend in the observed relative yields of fragment masses in each fission pair partition. The isospin values involved are very large making the effect dramatic. The findings open the way for more precise calculations of fission fragment distributions in heavy nuclei and may have far reaching consequences for the drip line nuclei, HI fusion reactions, and calculation of decay heat in the fission phenomenon
Conservation of Isospin in Neutron-rich Fission Fragments
Jain, A. K.; Choudhury, D.; Maheshwari, B.
2014-06-01
On the occasion of the 75th anniversary of the fission phenomenon, we present a surprisingly simple result which highlights the important role of isospin and its conservation in neutron rich fission fragments. We have analysed the fission fragment mass distribution from two recent heavyion reactions 238U(18O,f) and 208Pb(18O,f) as well as a thermal neutron fission reaction 245Cm(nth,f). We find that the conservation of the total isospin explains the overall trend in the observed relative yields of fragment masses in each fission pair partition. The isospin values involved are very large making the effect dramatic. The findings open the way for more precise calculations of fission fragment distributions in heavy nuclei and may have far reaching consequences for the drip line nuclei, HI fusion reactions, and calculation of decay heat in the fission phenomenon.
Conservation of Isospin in Neutron-Rich Fission Fragments
Jain, Ashok Kumar; Maheshwari, Bhoomika
2014-01-01
On the occasion of the $75^{th}$ anniversary of the fission phenomenon, we present a surprisingly simple result which highlights the important role of isospin and its conservation in neutron rich fission fragments. We have analysed the fission fragment mass distribution from two recent heavy-ion reactions $^{238}$U($^{18}$O,f) and $^{208}$Pb($^{18}$O,f) as well as a thermal neutron fission reaction $^{245}$Cm(n$^{th}$,f). We find that the conservation of the total isospin explains the overall trend in the observed relative yields of fragment masses in each fission pair partition. The isospin values involved are very large making the effect dramatic. The findings open the way for more precise calculations of fission fragment distributions in heavy nuclei and may have far reaching consequences for the drip line nuclei, HI fusion reactions, and calculation of decay heat in the fission phenomenon.
Directory of Open Access Journals (Sweden)
Yadav Mukesh P
2012-11-01
Full Text Available Abstract Background Replication and transcription, the two key functions of DNA, require unwinding of the DNA double helix. It has been shown that replication origins in the budding yeast, Saccharomyces cerevisiae contain an easily unwound stretch of DNA. We have used a recently developed method for determining the locations and degrees of stress-induced duplex destabilization (SIDD for all the reported replication origins in the genome of the fission yeast, Schizosaccharomyces pombe. Results We have found that the origins are more susceptible to SIDD as compared to the non-origin intergenic regions (NOIRs and genes. SIDD analysis of many known origins in other eukaryotes suggests that SIDD is a common property of replication origins. Interestingly, the previously shown deletion-dependent changes in the activities of the origins of the ura4 origin region on chromosome 3 are paralleled by changes in SIDD properties, suggesting SIDD’s role in origin activity. SIDD profiling following in silico deletions of some origins suggests that many of the closely spaced S. pombe origins could be clusters of two or three weak origins, similar to the ura4 origin region. Conclusion SIDD appears to be a highly conserved, functionally important property of replication origins in S. pombe and other organisms. The distinctly low SIDD scores of origins and the long range effects of genetic alterations on SIDD properties provide a unique predictive potential to the SIDD analysis. This could be used in exploring different aspects of structural and functional organization of origins including interactions between closely spaced origins.
Magnetic properties in nitrogen-doped CeO2 from first-principles calculations
International Nuclear Information System (INIS)
The electronic structures and magnetic properties of N-doped CeO2 crystals have been investigated by first-principles calculations based on density functional theory with and without U. The results demonstrate a magnetic moment of 1.00μB per N obtained from all schemes. Predictions based on both LSDA and GGA calculations with and without U capture a half-metallic ground state for the N-doped CeO2 system. Several doped configurations calculations within LSDA demonstrate that there exist robust ferromagnetic couplings between these local magnetic moments, which mainly stem from Hund's rule coupling. The hole-mediated long-range double exchange mechanism is responsible for the predicted ferromagnetism. It turns out that the percolation concentration needed to establish the collective ferromagnetism is at a few percent. However, further test calculations show that a weakly half-metallic ground state is predicted by GGA+U for this system.
Fast interpolation algorithm for the calculation of thermodynamic property maps of microstructures
International Nuclear Information System (INIS)
A fast method for the calculation of thermodynamic property mappings of alloy microstructures is presented. It uses surrogate interpolation models instead of the direct CALPHAD calculation of each data point. With the best algorithm, a speed-up of nearly 30 can be achieved compared to the direct method. If repeated calculations of similar microstructures are required, a speed-up of around 300 can even be realized. Different surrogate models have been evaluated. The universal kriging method gives the most accurate results, while polynomial surface response models turn out to generate larger interpolation errors. In order to minimize the number of calculation points of the surrogate interpolation model, the microstructure is classified into similar regions, in which the design points are chosen randomly. The algorithm is applicable independent of alloy composition. Within the paper, we present the application of the algorithm for two single-crystalline nickel-based superalloys. (paper)
Calculated Changes in the Elastic Properties of MgCNi3 at the Superconducting Transition
Directory of Open Access Journals (Sweden)
R. Abd-Shukor
2013-01-01
Full Text Available We calculated the elastic properties of MgCNi3 at the superconducting transition ( using various thermodynamic and acoustic data. From the calculations, a step discontinuity of 8 ppm in the bulk modulus, 7 ppm in the Young’s modulus, and 3 ppm in the longitudinal sound velocity ( is expected at . The step discontinuities at the transition temperature indicated the importance of lattice changes to the superconducting mechanism of MgCNi3. The Debye temperature was calculated to be 460 K. The electron-phonon coupling constants calculated in the weak and strong coupling limits of the BCS theory and the van Hove scenario showed that MgCNi3 is a moderately strong coupled superconductor.
Poenaru, D N; Greiner, W
2005-01-01
Complex fission phenomena can be studied in a unified way. Very general reflection asymmetrical equilibrium (saddle-point) nuclear shapes, may be obtained by solving an integro-differential equation without being necessary to specify a certain parametrization. The mass asymmetry in cold fission phenomena can be explained as the result of adding a phenomenological shell correction to the liquid drop model deformation energy. Applications to binary, ternary, and quaternary fission are outlined. Predictions of two alpha accompanied fission are experimentally confirmed.
Microscopic Theory of Nuclear Fission: A Review
Schunck, N
2015-01-01
This article reviews how nuclear fission is described within nuclear density functional theory. In spontaneous fission, half-lives are the main observables and quantum tunnelling the essential concept, while in induced fission the focus is on fragment properties and explicitly time-dependent approaches are needed. The cornerstone of the current microscopic theory of fission is the energy density functional formalism. Its basic tenets, including tools such as the HFB theory, effective two-body effective nuclear potentials, finite-temperature extensions and beyond mean-field corrections, are presented succinctly. The EDF approach is often combined with the hypothesis that the time-scale of the large amplitude collective motion driving the system to fission is slow compared to typical time-scales of nucleons inside the nucleus. In practice, this hypothesis of adiabaticity is implemented by introducing (a few) collective variables and mapping out the many-body Schr\\"odinger equation into a collective Schr\\"odinge...
International Nuclear Information System (INIS)
Irradiations conducted in the rigs IFA-597.213 and IFA-562.2-6 produce fuel performance data from burnups that exceed the current operation limits in the commercial light water reactors. Fuel temperature and internal pressure measurements enable to examine the temperature and fission gas release relationship in the range from 50 to 90 MWd/kgUO2, where UO2 microstructure changes are claimed to be connected with enhanced athermal release. In an attempt to identify this athermal part of the gas release, measurement results were compared with the calculated ones by use of ENIGMA fuel performance code (without any 'rim' model). In order to compare the gas release behaviours only, calculated temperatures were forced to obey the recorded temperatures by adjusting some code parameters. The outcome was not quite analogous for the two tests considered. There was only slight underprediction for IFA 597.2/3 at 60 MWd/kgUO2, while for IFA-562.2-6 an enlarging underprediction was obtained from about 55 to 90 MWd/kgUO2. Since fuel temperature was low, the latter speaks for a strongly enhanced athermal gas release at high burnups. (author)
Migration of fission products in UO2. Final report
International Nuclear Information System (INIS)
Results of an experimental and calculational effort to examine the fundamental mechanisms of fission product migration in and release from polycrystalline uranium dioxide are reported. The experiments were designed to provide diffusion parameters for the representative fission products tellurium, iodine, xenon, molybdenum and ruthenium under both reducing and oxidizing conditions. The calculational effort applied a new model of fission product release from reactor fuel that incorporates grain growth as well as grain boundary and lattice diffusion
Physical Properties of Phenol Compound: Semi-empirical Calculation of Substituent Effects [Part One
Directory of Open Access Journals (Sweden)
Ammar A. Ibrahim
2009-01-01
Full Text Available Problem statement: Physical properties of phenol compound such as steric energy, charge of oxygen, ionization potential, dipole moment, LUMO and bond length have been calculated. Approach: All molecular geometries were minimized by quantum mechanic especially at (AM1 method was used to investigate the effect of a variety of substituents on the phenol (H, o-Cl, p-Cl, m-Cl, o-CH3, m-CH3, p-CH3, o-NH2, m-NH2, o-NO2, m-NO2, p-NO2, 2,4-di-NO2. Global descriptor such as electronic chemical potential (µ, hardness (η, the maximum electronic charge and global electrophilicity index (ω were determined and used to predict the (pKa values. Results: The theoretical results (predictive values found were in good agreement with experimental values. The predictive pKa calculated values by AM1 method gave excellent results with experimental values. The correlation between the predicted values especially global electrophilicity index showed excellent qualitative agreement with the experimental pKa (R2 = 0.95. Conclusion: The present research was to calculate the physical properties of phenol derivatives. Then, the calculated values were compared, quite favorably with experimental values of these properties. In future, we can predict any substituent of set of a phenol compound and compare its value with the experimental.
Computer Programs for Calculating the Isentropic Flow Properties for Mixtures of R-134a and Air
Kvaternik, Raymond G.
2000-01-01
Three computer programs for calculating the isentropic flow properties of R-134a/air mixtures which were developed in support of the heavy gas conversion of the Langley Transonic Dynamics Tunnel (TDT) from dichlorodifluoromethane (R-12) to 1,1,1,2 tetrafluoroethane (R-134a) are described. The first program calculates the Mach number and the corresponding flow properties when the total temperature, total pressure, static pressure, and mole fraction of R-134a in the mixture are given. The second program calculates tables of isentropic flow properties for a specified set of free-stream Mach numbers given the total pressure, total temperature, and mole fraction of R-134a. Real-gas effects are accounted for in these programs by treating the gases comprising the mixture as both thermally and calorically imperfect. The third program is a specialized version of the first program in which the gases are thermally perfect. It was written to provide a simpler computational alternative to the first program in those cases where real-gas effects are not important. The theory and computational procedures underlying the programs are summarized, the equations used to compute the flow quantities of interest are given, and sample calculated results that encompass the operating conditions of the TDT are shown.
Theoretical calculations of thermophysical properties of single-wall carbon nanotube bundles
International Nuclear Information System (INIS)
Carbon nanotube bundles are promising thermal interfacial materials due to their excellent thermal and mechanical characteristics. In this study, the phonon dispersion relations and density of states of the single-wall carbon nanotube bundles are calculated by using the force constant model. The calculation results show that the inter-tube interaction leads to a significant frequency raise of the low frequency modes. To verify the applied calculation method, the specific heat of a single single-wall carbon nanotube is calculated first based on the obtained phonon dispersion relations and the results coincide well with the experimental data. Moreover, the specific heat of the bundles is calculated and exhibits a slight reduction at low temperatures in comparison with that of the single tube. The thermal conductivity of the bundles at low temperatures is calculated by using the ballistic transport model. The calculation results indicate that the inter-tube interaction, i.e. van der Waals interaction, hinders heat transfer and cannot be neglected at extremely low temperatures. For (5, 5) bundles, the relative difference of the thermal conductivity caused by ignoring inter-tube effect reaches the maximum value of 26% around 17 K, which indicates the significant inter-tube interaction effect on the thermal conductivity at low temperatures. (condensed matter: structural, mechanical, and thermal properties)
Ab-initio calculations of electronic structure and optical properties of TiAl alloy
Energy Technology Data Exchange (ETDEWEB)
Hussain, Altaf [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63120 (Pakistan); Sikandar Hayat, Sardar, E-mail: sikandariub@yahoo.co [Department of Physics, Hazara University, Mansehra 21300 (Pakistan); Choudhry, M.A. [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63120 (Pakistan)
2011-05-01
The electronic structures and optical properties of TiAl intermetallic alloy system are studied by the first-principle orthogonalized linear combination of atomic orbitals method. Results on the band structure, total and partial density of states, localization index, effective atomic charges, and optical conductivity are presented and discussed in detail. Total density of states spectra reveal that (near the Fermi level) the majority of the contribution is from Ti-3d states. The effective charge calculations show an average charge transfer of 0.52 electrons from Ti to Al in primitive cell calculations of TiAl alloy. On the other hand, calculations using supercell approach reveal an average charge transfer of 0.48 electrons from Ti to Al. The localization index calculations, of primitive cell as well as of supercell, show the presence of relatively localized states even above the Fermi level for this alloy. The calculated optical conductivity spectra of TiAl alloy are rich in structures, showing the highest peak at 5.73 eV for supercell calculations. Calculations of the imaginary part of the linear dielectric function show a prominent peak at 5.71 eV and a plateau in the range 1.1-3.5 eV.
Geometrical and statistical factors in fission of small metal clusters
Obolensky, O. I.; Lyalin, A. G.; Solov'yov, A. V.; Greiner, W.
2005-01-01
Fission of metastable charged univalent metal clusters has been studied on example of Na_{10}^{2+} and Na_{18}^{2+} clusters by means of density functional theory methods. Energetics of the process, i.e. dissociation energies and fission barriers, as well as its dynamics, i.e. fission pathways, have been analyzed. The dissociation energies and fission barriers have been calculated for the full range of fission channels for the Na_{10}^{2+} cluster. The impact of cluster structure on the fissi...
Report on simulation of fission gas and fission product diffusion in UO_{2}
Energy Technology Data Exchange (ETDEWEB)
Andersson, Anders David [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Perriot, Romain Thibault [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Pastore, Giovanni [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation Dept.; Tonks, Michael R. [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation Dept.; Cooper, Michael William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Liu, Xiang-Yang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Goyal, Anuj [Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering; Uberuaga, Blas P. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division; Stanek, Christopher Richard [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division
2016-07-22
In UO_{2} nuclear fuel, the retention and release of fission gas atoms such as xenon (Xe) are important for nuclear fuel performance by, for example, reducing the fuel thermal conductivity, causing fuel swelling that leads to mechanical interaction with the clad, increasing the plenum pressure and reducing the fuel–clad gap thermal conductivity. We use multi-scale simulations to determine fission gas diffusion mechanisms as well as the corresponding rates in UO_{2} under both intrinsic and irradiation conditions. In addition to Xe and Kr, the fission products Zr, Ru, Ce, Y, La, Sr and Ba have been investigated. Density functional theory (DFT) calculations are used to study formation, binding and migration energies of small clusters of Xe atoms and vacancies. Empirical potential calculations enable us to determine the corresponding entropies and attempt frequencies for migration as well as investigate the properties of large clusters or small fission gas bubbles. A continuum reaction-diffusion model is developed for Xe and point defects based on the mechanisms and rates obtained from atomistic simulations. Effective fission gas diffusivities are then obtained by solving this set of equations for different chemical and irradiation conditions using the MARMOT phase field code. The predictions are compared to available experimental data. The importance of the large Xe_{U3O} cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and high binding energy. We find that the Xe_{U3O} cluster gives Xe diffusion coefficients that are higher for intrinsic conditions than under irradiation over a wide range of temperatures. Under irradiation the fast-moving Xe_{U3O} cluster recombines quickly with irradiation induced interstitial U ions, while this mechanism is less important for intrinsic conditions. The net result is higher
Modeling Fission Product Sorption in Graphite Structures
Energy Technology Data Exchange (ETDEWEB)
Szlufarska, Izabela [University of Wisconsin, Madison, WI (United States); Morgan, Dane [University of Wisconsin, Madison, WI (United States); Allen, Todd [University of Wisconsin, Madison, WI (United States)
2013-04-08
The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission
First-principles calculations of magnetic properties for CdCrO{sub 2} under pressure
Energy Technology Data Exchange (ETDEWEB)
Amari, S., E-mail: siham_amari@yahoo.fr [Laboratoire de Modelisation et de Simulation en Sciences des Materiaux, Departement de Physique Universite Djillali Liabes, Faculte des sciences, Universite Djillali Liabes, BP 89 Sidi Bel Abbes 22000 (Algeria); Mecabih, S.; Abbar, B.; Bouhafs, B. [Laboratoire de Modelisation et de Simulation en Sciences des Materiaux, Departement de Physique Universite Djillali Liabes, Faculte des sciences, Universite Djillali Liabes, BP 89 Sidi Bel Abbes 22000 (Algeria)
2013-02-15
By employing the first-principles method of the full potential linear augmented plane waves plus the local orbitals (FP-L/APW+lo) within the generalized gradient approximation for the exchange and correlation potential, the structural, electronic, and magnetic properties of chalcopyrite compound CdCrO{sub 2} are investigated. In order to take into account the strong on-site Coulomb interaction, we also performed the generalized gradient approximation plus the Hubbard correlation terms. We systematically study how the exchange interactions and magnetic moments of CdCrO{sub 2} are affected by the different choice of U as well as the exchange correlation potential. We have also carried out the pressure effect on the magnetic properties. - Highlights: Black-Right-Pointing-Pointer The calculation of the exchange constants. Black-Right-Pointing-Pointer The pressure dependence of the magnetic properties. Black-Right-Pointing-Pointer The exchange correlation potential effect on the magnetic properties.
Directory of Open Access Journals (Sweden)
M.L.Mansfield
2002-01-01
Full Text Available Although the calculation of transport properties of complex-shaped particles (Smoluchowski rate constants for diffusion-limited reactions, Stokes friction coefficient, virial coefficients for conductivity, viscosity and other transport properties is straightforward in principle, the accurate evaluation of these quantities for objects of general shape is a problem of classic difficulty. In the present paper, we illustrate a recently developed numerical path-integration method to estimate basic transport properties of representative complex-shaped objects having scientific and technological interest (i.e., star polymers and diffusion-limited aggregates without excluded volume interactions. The methodology applies to objects of essentially arbitrary shape and its validation for special geometries, where exact results are known, is described in a previous paper. Here we calculate the electrostatic capacity and electrical polarizability tensor of these model branched polymers and then exploit exact and approximate electrostatic-hydrodynamic property interrelations to estimate the Stokes translational friction coefficient and the virial coefficients for conductivity and shear viscosity (intrinsic conductivity and viscosity, respectively. Dimensionless ratios of these transport properties and equilibrium measures of particle size (radius of gyration are considered since these ratios are important experimentally in determining macromolecular topological structure and universality class. We also discuss and illustrate the influence of the branching architecture on the equilibrium charge distribution ("equilibrium measure" of these branched polymers where they are treated as conductors. An unexpected qualitative change in the charge distribution is found with increasing arm number in star polymers that may have important physical consequences.
Fission induced by nucleons at intermediate energies
Energy Technology Data Exchange (ETDEWEB)
Lo Meo, S., E-mail: sergio.lomeo@enea.it [ENEA, Centro Ricerche Ezio Clementel, 40129 Bologna (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Bologna, 40127 Bologna (Italy); Mancusi, D., E-mail: davide.mancusi@cea.fr [CEA, Centre de Saclay, Irfu/SPhN, F91191 Gif-sur-Yvette Cedex (France); Massimi, C., E-mail: cristian.massimi@bo.infn.it [Dipartimento di Fisica ed Astronomia dell' Università di Bologna (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Bologna, 40127 Bologna (Italy); Vannini, G., E-mail: gianni.vannini@bo.infn.it [Dipartimento di Fisica ed Astronomia dell' Università di Bologna (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Bologna, 40127 Bologna (Italy); Ventura, A., E-mail: alberto.ventura@bo.infn.it [Istituto Nazionale di Fisica Nucleare, Sezione di Bologna, 40127 Bologna (Italy)
2015-01-15
Monte Carlo calculations of fission of actinides and pre-actinides induced by protons and neutrons in the energy range from 100 MeV to 1 GeV are carried out by means of a recent version of the Liège Intranuclear Cascade Model, INCL++, coupled with two different evaporation-fission codes, GEMINI++ and ABLA07. In order to reproduce experimental fission cross sections, model parameters are usually adjusted on available (p,f) cross sections and used to predict (n,f) cross sections for the same isotopes.
Fission induced by nucleons at intermediate energies
Meo, Sergio Lo; Massimi, Cristian; Vannini, Gianni; Ventura, Alberto
2014-01-01
Monte Carlo calculations of fission of actinides and pre-actinides induced by protons and neutrons in the energy range from 100 MeV to 1 GeV are carried out by means of a recent version of the Li\\`ege Intranuclear Cascade Model, INCL++, coupled with two different evaporation-fission codes, GEMINI++ and ABLA07. In order to reproduce experimental fission cross sections, model parameters are usually adjusted on available (p,f) cross sections and used to predict (n,f) cross sections for the same isotopes.
Low energy fission: dynamics and scission configurations
International Nuclear Information System (INIS)
In the first part of this paper we recall a recent study concerning low energy fission dynamics. Propagation is made by use of the Time Dependent Generator Coordinate Method, where the basis states are taken from self-consistent Hartree-Fock-Bogoliubov calculations with the Gogny force. Theoretical fragment mass distributions are presented and compared with the evaluation made by Wahl. In the second part of this paper, new results concerning scission configurations are shown. Deviations of the fission fragment proton numbers from the Unchanged Charge Distribution prescription and fission fragment deformations are discussed. (authors)
Density functional theory and pseudopotentials: A panacea for calculating properties of materials
International Nuclear Information System (INIS)
Although the microscopic view of solids is still evolving, for a large class of materials one can construct a useful first-principles or ''Standard Model'' of solids which is sufficiently robust to explain and predict many physical properties. Both electronic and structural properties can be studied and the results of the first-principles calculations can be used to predict new materials, formulate empirical theories and simple formulae to compute material parameters, and explain trends. A discussion of the microscopic approach, applications, and empirical theories is given here, and some recent results on nanotubes, hard materials, and fullerenes are presented
Structural, Elastic, and Electronic Properties of ReB2: A First-Principles Calculation
Directory of Open Access Journals (Sweden)
Run Long
2008-02-01
Full Text Available The structural, elastic, and electronic properties of the hard material ReB2 have been investigated by means of density functional theory. The calculated equilibrium structural parameters of ReB2 are in agreement with the experimental results. Our result of bulk modulus shows that it is a low compressible material. Furthermore, the elastic anisotropy is discussed by investigating the elastic stiffness constants. The charge density and the electronic properties indicate that the covalent bonding of Re-B and B-B plays an important role in formation of a hard material. The good metallicity and hardness of ReB2 might serve as hard conductors.
Calculation of optical properties for hot plasmas using a screened hydrogenic model
Rubiano, J. G.; Rodríguez, R.; Florido, R.; Mendoza, M. A.; Gil, J. M.; Martel, P.; Mínguez, E.
2006-06-01
In work a hydrogenic versions of the code ATOM3R-OP is presented. This flexible code has been developed to obtain optical properties for plasmas in a wide range of densities and temperatures named and the Hydrogenic versions is intended to couple with hydrodynamic codes. The code is structured in three modules devoted to the calculation of the atomic magnitudes, the ionic abundances and the optical properties, respectively, which are briefly described. Finally, bound-bound opacities and emissivities of Carbon plasma computed with this model are compared with more sophisticated self-consistent codes.
Four Common Properties of Repairable Systems Calculated with the Boltzmann-Like Entropy
Directory of Open Access Journals (Sweden)
2012-12-01
Full Text Available
Gnedenko, the father of the modern Reliability Theory, first derived some fundamental properties of reliable systems following rigid deductive logic. This paper shares the deductive method and infers four principal properties of repairable/maintainable systems using the Boltzmann-like entropy. In particular we calculate the reparability function and next discuss the physical meanings of the formal results. Lastly we comment on the broad range of applications and researches which can relate to this study.
A compilation of structural property data for computer impact calculation (3/5)
International Nuclear Information System (INIS)
The paper describes structural property data for computer impact calculations of nuclear fuel shipping casks. Four kinds of material data, mild steel, stainless steel, lead and wood are compiled. These materials are main structural elements of shipping casks. Structural data such as, the coefficient of thermal expansion, the modulus of longitudinal elasticity, the modulus of transverse elasticity, the Poisson's ratio and stress and strain relationships, have been tabulated against temperature or strain rate. This volume 3 involve structural property data of stainless steel. (author)
First Principles Calculations for X-ray Resonant Spectra and Elastic Properties
International Nuclear Information System (INIS)
In this thesis, we discuss applications of first principles methods to x-ray resonant spectra and elastic properties calculation. We start with brief reviews about theoretical background of first principles methods, such as density functional theory, local density approximation (LDA), LDA+U, and the linear augmented plane wave (LAPW) method to solve Kohn-Sham equations. After that we discuss x-ray resonant scattering (XRMS), x-ray magnetic circular dichroism (XMCD) and the branching problem in the heavy rare earths Ledges. In the last chapter we discuss the elastic properties of the second hardest material AlMgB14
Fusion and fission properties of rapidly rotating nuclei 40Ar + 238U → 278110 at E/sub cm/ = 291 MeV
International Nuclear Information System (INIS)
Coincident fission fragments were detected to study the complete capture reaction, 40Ar + 238U → 278110 → f, at E/sub cm/ = 291 MeV (E/sub lab/ = 340 MeV). The detection system had a high efficiency to detect and subsequently veto events showing evidence of incomplete momentum transfer. The angular distribution of fission fragments was obtained between the center-of-mass angles of 1190 and 1640. The mass distributions of the fission fragments were also obtained for these angles. One non-coincident measurement made at theta/sub cm/ = 43.70 confirmed the symmetry of the angular distribution about 900. This study is distinguished from other recent studies by the use of a novel veto technique. This is the first measurement which has not been compromised by contamination with incomplete momentum-transfer reactions due to either pre-equilibrium emission or fission following deeply inelastic scattering. This is also the first investigation which reports detailed angular distributions with a majority (approx. 90%) of the capture cross section leading to nuclei having vanishing fission barriers. The rotating liquid-drop-model parameters were extracted from the data. The RLDM shapes along with statistical fission models, when applied to all partial waves, fail to reproduce the angular distributions. We interpret the angular distributions by applying statistical-equilibrium models and RLDM shapes for the nonvanishing fission-barrier partial waves and by assuming that the vanishing fission-barrier partial-wave contribution is given by l/sin theta. A l/sin theta distribution is expected for a system which has not reached complete statistical equilibrium and maintains a memory of its entrance channel, with the fission fragments being emitted in the reaction plane defined by the initial contact
Evolution of isotopic fission-fragment yields with excitation energy
International Nuclear Information System (INIS)
Two fission experiments have been performed at GANIL using 238U beams at different energies and light targets. Different fissioning systems were produced with excitation energies from 10 to 230 MeV and their decay by fission was investigated with GANIL spectrometers. Preliminary fission-fragment isotopic distributions have been obtained. The evolution with impinging energy of their properties, the neutron excess and the width of the neutron-number distributions, gives important insights into the dynamics of fusion-fission mechanism. (authors)
Evolution of isotopic fission-fragment yields with excitation energy
Directory of Open Access Journals (Sweden)
Bazin D.
2012-07-01
Full Text Available Two fission experiments have been performed at GANIL using 238U beams at different energies and light targets. Different fissioning systems were produced with excitation energies from 10 to 230 MeV and their decay by fission was investigated with GANIL spectrometers. Preliminary fission-fragment isotopic distributions have been obtained. The evolution with impinging energy of their properties, the neutron excess and the width of the neutron-number distributions, gives important insights into the dynamics of fusion-fission mechanism.
14. International workshop on nuclear fission physics. Proceedings
International Nuclear Information System (INIS)
The meetings on nuclear fission took place 12-15 October 1998 and was organized by Institute of Physics and Power Engineering. The aim of the workshop was to present and discuss main new both theoretical and experimental results obtained in the area of nuclear fission, dynamical feature, properties of fission fragments and complementary radiation. As usual the program of the workshop was designed to cover a wide range of physical phenomena - from low energy and spontaneous fission to fission of hot rotating nuclei and multifragmentation at intermediate and high energies. Reaction induced by slow and fast neutron, light and heavy ions were discussed
Measurements of fission cross-sections. Chapter 4
International Nuclear Information System (INIS)
The steps involved in the measurement of fission cross sections are summarized and the range of techniques available are considered. Methods of fission detection are described with particular emphasis on the neutron energy dependent properties of the fission process and the details of fragment energy loss which can lead to energy-dependent changes in detector efficiency. Selected examples of fission cross-section measurements are presented and methods of data reduction, storage, analysis and evaluation, are examined. Finally requested accuracies for fission cross section data are compared to estimated available accuracies. (U.K.)
Bimodal fission in the Skyrme-Hartree-Fock approach
Staszczak, A.; Dobaczewski, J.; Nazarewicz, W.
2006-01-01
Spontaneous-fission properties of 256Fm, 258Fm, and 260Fm isotopes are studied within the Skyrme-Hartree-Fock+BCS framework. In the particle-hole channel we take the Skyrme SkM* effective force, while in the particle-particle channel we employ the seniority pairing interaction. Three static fission paths for all investigated heavy fermium isotopes are found. The analysis of these fission modes allows to describe observed asymmetric fission of 256Fm, as well as bimodal fission of 258Fm and sym...
Mass distribution in 19F induced fission of 232Th
International Nuclear Information System (INIS)
Formation cross sections of several fission products have been determined using the recoil catcher technique followed by γ-ray spectrometry in 19F induced fission of 232Th at Elab=95 and 112 MeV. The data show significant admixture of fission from compound nuclei formed by complete fusion as well as targetlike nuclei formed by transfer reactions. Mass distributions for both the fissioning systems have been obtained using the systematics of charge distribution in low and medium energy fission. Mass distribution for complete fusion fission is broad Gaussian whereas it is asymmetric for transfer induced fission. At 95 MeV the transfer fission constitutes about 28% of total fission cross section while at 112 MeV it is about 14%, showing that the transfer fission fraction decreases with increasing projectile energy across the barrier. The evaporation residue cross sections of the targetlike nucleus formed in the 232Th (19F, 18O) 233Pa reaction were also measured. The evaporation residue cross sections and the calculated decay probabilities of the targetlike nucleus 233Pa by PACE2 have been used to estimate the fraction of proton and α transfer fission in the total transfer fission cross section. copyright 1996 The American Physical Society
Calculation of the thermodynamic properties of the GaSbTl liquid alloys
Directory of Open Access Journals (Sweden)
DRAGAN MANASIJEVIC
2005-02-01
Full Text Available The results of the calculation of the thermodynamic properties for liquid GaSbTl alloys at the temperature 1073 K are presented in this paper. Initially, the most appropriate thermodynamic model for the investigated system was selected. Based on a comparison of the values calculated by different geometric models (Kohler, Muggianu, Toop, Hillert, Chou with the existing experimental based data, asymmetric models of calculation were determined to give the best results. The asymmetric nature of the investigated ternary system was additionally confirmed by the Chou similarity coefficient concept. For these reasons, further complete thermodynamic calculations were performed according to the Hillert model in five sections of the ternary GaSbTl system from each corner with the mole ratio of other two components being 9:1; 7:3; 5:5; 3:7 and 1:9. The obtained results include integral excess Gibbs energy dependences on composition for all the investigated sections. The calculated activity values at 1073 K for all components are given in the form of isoactivity diagrams. Comparison between the calculated and experimentally obtained gallium activities shows good agreement.
International Nuclear Information System (INIS)
The low field magnetic properties of small uniaxial ferromagnetic particles are studied. We assume spherical particles, whose shells are inscribed into a simple cubic lattice. Each site of the sphere harbours a spin of the particle, which is represented by continuous vectors of unitary magnitude. The model is described by a classical Heisenberg model, where only nearest-neighbor interactions are taken into account. We employ mean-field calculations and Monte Carlo simulations to determine the magnetic properties of particles of different sizes, with radii ranging from three up to twelve lattice spacings. We consider the cases where the external magnetic field is applied along and perpendicularly to the easy axis of the particle. We determine the critical temperature as a function of the anisotropy and size of the particle. Monte Carlo calculations at low temperatures recover the Bloch law, showing that the magnetization decreases with a T3/2 law for isotropic particles larger than three spherical shells
Molecular Modeling for Calculation of Mechanical Properties of Epoxies with Moisture Ingress
Clancy, Thomas C.; Frankland, Sarah J.; Hinkley, J. A.; Gates, T. S.
2009-01-01
Atomistic models of epoxy structures were built in order to assess the effect of crosslink degree, moisture content and temperature on the calculated properties of a typical representative generic epoxy. Each atomistic model had approximately 7000 atoms and was contained within a periodic boundary condition cell with edge lengths of about 4 nm. Four atomistic models were built with a range of crosslink degree and moisture content. Each of these structures was simulated at three temperatures: 300 K, 350 K, and 400 K. Elastic constants were calculated for these structures by monitoring the stress tensor as a function of applied strain deformations to the periodic boundary conditions. The mechanical properties showed reasonably consistent behavior with respect to these parameters. The moduli decreased with decreasing crosslink degree with increasing temperature. The moduli generally decreased with increasing moisture content, although this effect was not as consistent as that seen for temperature and crosslink degree.
Ab Initio Calculation of Structure and Thermodynamic Properties of Zintl Aluminide SrAl2
Fu, Zhi-Jian; Jia, Li-Jun; Xia, Ji-Hong; Tang, Ke; Li, Zhao-Hong; Sun, Xiao-Wei; Chen, Qi-Feng
2015-12-01
The structural and thermodynamic properties of the orthorhombic and cubic structure SrAl2 at pressure and temperature are investigated by using the ab initio plane-wave pseudopotential density functional theory methodwithin the generalised gradient approximation (GGA). The calculated lattice parameters are in agreement with the available experimental data and other theoretical results. The phase transition predicted takes place at 0.5 GPa from the orthorhombic to the cubic structure at zero temperature. The thermodynamic properties of the zinc-blende structure SrAl2 are calculated by the quasi-harmonic Debye model. The pressure-volume relationship and the variations inthe thermal expansion α are obtained systematically in the pressure and temperature ranges of 0-5 GPa and 0-500 K, respectively.
Proton-induced fission on 241Am, 238U and 237Np at intermediate energies
Deppman, A.; Andrade-II, E.; Guimaraes, V; Karapetyan, G. S.; Balabekyan, A. R.; Demekhina, N. A.
2013-01-01
Intermediate energy data of proton-induced fission on 241Am, 238U and 237Np targets were analysed and investigated using the computational simulation code CRISP. Inelastic interactions of protons on heavy nuclei and both symmetric and asymmetric fission are regarded. The fission probabilities are obtained from the CRISP code calculations by means of the Bohr-Wheeler model. The fission cross sections, the fissility and the number of nucleons evaporated by the nuclei, before and after fission, ...
Electrical Properties of Hydrous Forsterite Derived from First-Principles Calculations
Institute of Scientific and Technical Information of China (English)
WANG Duo-Jun; LIU Zai-Yang; YI Li; SHI Bao-Ping
2011-01-01
@@ We investigate electrical properties of anhydrous and hydrous forsterite crystalwith 3.2 wt% water by using firstprinciples calculations.The calculation results indicate that the pressure weakly affects the electrical properties of anhydrous forsterite.Two types of defect configurations involving the two hydrogen atoms in different positions are considered.Type 1 involves the entrapment of two hydrogen atoms in a Mg vacancy,which demonstrates little effect on the electronic density of states(DoS) of the forsterite crystal.Type 2 corresponds to the replacement of one hydrogen atom into the Mg vacancy with the other one located in different orientations(free proton model).It is this configuration that can significantly change the DoS of the forsterite crystal.The gap energy of the free proton model derived at different orientations is in the range of 0.693-1.007eV.%We investigate electrical properties of anhydrous and hydrous forsterite crystal with 3.2 wt％ water by using firstprinciples calculations. The calculation results indicate that the pressure weakly affects the electrical properties of anhydrous forsterite. Two types of defect configurations involving the two hydrogen atoms in different positions are considered. Type 1 involves the entrapment of two hydrogen atoms in a Mg vacancy, which demonstrates little effect on the electronic density of states (DoS) of the forsterite crystal. Type 2 corresponds to the replacement of one hydrogen atom into the Mg vacancy with the other one located in different orientations (free proton model).It is this configuration that can significantly change the DoS of the forsterite crystal. The gap energy of the free proton model derived at different orientations is in the range of 0.693-1.007eV.
Mean Field Calculation of Thermal Properties of Simple Nucleon Matter on a Lattice
Abe, T.; Seki, R.; Kocharian, A. N.
2003-01-01
Thermal properties of single species nucleon matter are investigated assuming a simple form of the nucleon-nucleon interaction. The nucleons are placed on a cubic lattice, hopping from site to site and interacting through a spin-dependent force, as in the extended, attractive Hubbard model. A mean field calculation in the Hartree-Fock Bogoliubov approximation suggests that the superfluid ground state generated by strong nucleon pairing undergoes a second-order phase transition to a normal sta...
Fission-Fragment Angular, Energy, and Mass Division Correlations for the U234 (d, Pf) Reaction
International Nuclear Information System (INIS)
The fission of the compound nucleus U235 in the neighbourhood of its fission threshold has been studied by means of the U234 (d.pf) reaction. A three-parameter analyser was used to record simultaneously the two fission-fragment kinetic energies and the proton energy for each coincident event. The excitation energy at which fission occurs is defined by the kinetic energy of the stripped.proton. The variation of angular anisotropy with excitation energy shows considerably more structure than that obtained by Lamphere for the same nucleus resulting from fast-neutron bombardment of U234. At least eight fission channels at the saddle point have been observed for the energy region between threshold and 2 MeV above threshold. Nilsson-type calculations of single particle energies for deformed nuclei have been made for the larger deformations more nearly describing the saddle-point configuration. The single particle states identified by Lamphere are consistent with those calculated to be close to the Fermi surface for reasonable saddle-point deformations. The primary motivation for this experiment was to search for a possible correlation between mass asymmetry and angular anisotropy. Mass yields obtained from the correlated fragment energies show no variation of the anisotropy with mass ratio, in contrast with experiments where the excitation energy at which fission is occurring is not fixed and where a dependence of anisotropy on mass ratio has been observed. There is therefore no evidence from anisotropy measurements that the properties of the saddle point influence the final mass division. The average total kinetic energy release in fission varies by less than 0.5% for the different saddle-point channels observed. The variation of total kinetic energy with mass ratio has also been investigated. (author)
Fission neutron statistical emission
International Nuclear Information System (INIS)
The statistical model approach FINESSE (FIssion NEutronS' Statistical Emission) for the description of fission neutron multiplicities, energy spectra and angular distributions is described. Based on an extended Weisskopf ansatz and on a realistic temperature distribution it provides a fragment mass number dependent description of fission neutron data. Model parameters (optical potential, n/γ competition) were fixed on the basis of the 252Cf(sf) (nuclear data standard). Combined with a phenomenological fission model for predicting relevant fragment data as function of asymmetry. FINESSE can be applied to any fission reaction of actinides in the Th-Cf region without further parameter adjustment. Results are presented for 252Cf(sf) and neutron induced fission of 235U, 239Pu, 232Th. Effects of multiple-chance fission are discussed for 232Th(n,xnf) reacation. (author). 46 refs, 11 figs
Fission Barriers of Compound Superheavy Nuclei
Pei, J C; Nazarewicz, W.; Sheikh, J. A.; Kerman, A. K.
2009-01-01
The dependence of fission barriers on the excitation energy of the compound nucleus impacts the survival probability of superheavy nuclei synthesized in heavy-ion fusion reactions. In this work, we investigate the isentropic fission barriers by means of the self-consistent nuclear density functional theory. The relationship between isothermal and isentropic descriptions is demonstrated. Calculations have been carried out for $^{264}$Fm, $^{272}$Ds, $^{278}$112, $^{292}$114, and $^{312}$124. F...
MCNP6 Fission Multiplicity with FMULT Card
Energy Technology Data Exchange (ETDEWEB)
Wilcox, Trevor [Los Alamos National Laboratory; Fensin, Michael Lorne [Los Alamos National Laboratory; Hendricks, John S. [Los Alamos National Laboratory; James, Michael R. [Los Alamos National Laboratory; McKinney, Gregg W. [Los Alamos National Laboratory
2012-06-18
With the merger of MCNPX and MCNP5 into MCNP6, MCNP6 now provides all the capabilities of both codes allowing the user to access all the fission multiplicity data sets. Detailed in this paper is: (1) the new FMULT card capabilities for accessing these different data sets; (2) benchmark calculations, as compared to experiment, detailing the results of selecting these separate data sets for thermal neutron induced fission on U-235.
High-pressure physical properties of magnesium silicate post-perovskite from ab initio calculations
Indian Academy of Sciences (India)
Zi-Jiang Liu; Xiao-Wei Sun; Cai-Rong Zhang; Jian-Bu Hu; Ling-Cang Cai; Qi-Feng Chen
2012-08-01
The structure, thermodynamic and elastic properties of magnesium silicate (MgSiO3) post-perovskite at high pressure are investigated with quasi-harmonic Debye model and ab initio method based on the density functional theory (DFT). The calculated structural parameters of MgSiO3 post-perovskite are consistent with the available experimental results and the recent theoretical results. The Debye temperature, heat capacity and thermal expansion coefficient at high pressures and temperatures are predicted using the quasi-harmonic Debye model. The elastic constants are calculated using stress–strain relations. A complete elastic tensor of MgSiO3 post-perovskite is determined in the wide pressure range. The calculated elastic anisotropic factors and directional bulk modulus show that MgSiO3 post-perovskite possesses high elastic anisotropy.
Electronic and optical properties of CuGaS{sub 2}: First-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Xu Bin, E-mail: hnsqxb@163.co [Department of Mathematics and Information Sciences, North China Institute of Water Conservancy and Hydroelectric Power, Zhengzhou 450011 (China); Li Xingfu; Qin Zhen; Long Congguo; Yang Dapeng [Department of Mathematics and Information Sciences, North China Institute of Water Conservancy and Hydroelectric Power, Zhengzhou 450011 (China); Sun Jinfeng [College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007 (China); Yi Lin [Department of Physics, Huazhong University of Science and Technology, Wuhan 430074 (China)
2011-02-15
Electronic structure and optical properties of CuGaS{sub 2} are calculated using the full potential linearized augmented plane wave plus local orbitals method. The calculated equilibrium lattice is in reasonable agreement with the experimental data. The electronic structures indicate that CuGaS{sub 2} is a semiconductor with a direct bandgap of 0.81802 eV. Furthermore, other experiments and theory also show that this material has a direct bandgap. It is noted that there is quite strong hybridization between Ga 3d and S 3s orbitals, which belongs to the (GaS{sub 2}){sup -}. The complex dielectric functions are calculated, which are in good agreement with the available experimental results.
Lattice EFT calculation of thermal properties of low-density neutron matter
International Nuclear Information System (INIS)
Thermal properties of low-density neutron matter are investigated by lattice calculation with nuclear effective field theory without pions up to the next-to-leading order. The 1S0 pairing gap is extracted near zero temperature at low densities. We find that the pairing gap is smaller than the BCS approximation with the conventional NN potentials, but not as small as those by various many-body calculations beyond BCS approximation. Our result is consistent with the recent Green's Function Monte Carlo calculation within the statistical errors. The critical temperature of the normal-to-superfluid phase transition and the pairing temperature scale are also extracted at low densities, and the phase diagram is given. We find that the physics of low-density neutron matter is clearly identified as being BCS-BEC crossover.
International Nuclear Information System (INIS)
Calculations with the Unified Model (vibrator coupled to two particles), of the energy levels and the eletromagnetic properties have been performed and compared with the twelve pair isotopes from tellurium with A between 112 and 134. The results were analysed using as particles interaction: pairing and SDI (Surface Delta Interaction). The SDI and 3 fonons collective states were used in the fittings, and a syntematic comparison between the theoretical and experimental results was made. The dependence of the results with the model parameters was determined, through large variation sof them. Calculations using 4 fonons have been made, and the importance of the introduced variations in the results was discussed. Calculations have been made in the VAX Computer of the Pelletron at IFUSP. (author)
Rupture of the neck in nuclear fission
International Nuclear Information System (INIS)
We introduce a degree of freedom to describe the rupture of the neck in nuclear fission and calculate the point at which the neck ruptures as the nucleus descends dynamically from its fission saddle point. This is done by mentally slicing the system into two portions at its minimum neck radius and calculating the force required to separate the two portions while keeping their shapes fixed. This force is obtained by differentiating with respect to separation the sum of the Coulomb and nuclear interaction energies between the two portions. For nuclei throughout the Periodic Table we calculate this force along dynamical paths leading from the fission saddle point. The force is initially attractive but becomes repulsive when the neck reaches a critical size. For actinide nuclei the neck radius at which rupture occurs is about 2 fm. This increases the calculated translational kinetic energy of the fission fragments at infinity relative to that calculated for scission occurring at zero neck radius. With the effect of neck rupture taken into account, we calculate and compare with experimental results fission-fragment kinetic energies for two types of nuclear dissipation: ordinary two-body viscosity and one-body dissipation
Thermoelectric properties of rocksalt ZnO from first-principles calculations
International Nuclear Information System (INIS)
Zinc oxide (ZnO) undergoes a pressure-induced structural transition from its normal ambient-pressure wurtzite (WZ) phase to a rocksalt (RS) phase around 10 GPa. A recent experiment shows that the high-pressure RS ZnO phase can be recovered and stabilized at ambient conditions, which raises exciting prospects of expanding the range of properties of ZnO. For a fundamental understanding of the RS ZnO phase, we have performed first-principles calculations to determine its electronic, phonon, and thermodynamic properties at high (20 GPa) and ambient (0 GPa) pressure. Furthermore, we have calculated its electrical and thermal transport properties, which allow an evaluation of its thermoelectric figure of merit ZT at different temperature and doping levels. Our calculations show that the ambient-pressure RS ZnO phase can reach ZT values of 0.25 to 0.3 under both n-type and p-type doping in a large temperature range of 400 K to 800 K, which is considerably lower than the temperature range of 1400 K to 1600 K where WZ ZnO reaches similar ZT values. These results establish RS ZnO as a promising material for thermoelectric devices designed to operate at temperatures desirable for many heat recovery applications
Effects of alloying elements on elastic properties of Al by first-principles calculations
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Wang J.
2014-01-01
Full Text Available The effects of alloying elements (Co, Cu, Fe, Ge, Hf, Mg, Mn, Ni, Si, Sr, Ti, V, Y, Zn, and Zr on elastic properties of Al have been investigated using first-principles calculations within the generalized gradient approximation. A supercell consisting of 31 Al atoms and one solute atom is used. A good agreement is obtained between calculated and available experimental data. Lattice parameters of the studied Al alloys are found to be depended on atomic radii of solute atoms. The elastic properties of polycrystalline aggregates including bulk modulus (B, shear modulus (G, Young’s modulus (E, and the B/G ratio are also determined based on the calculated elastic constants (cij’s. It is found that the bulk modulus of Al alloys decreases with increasing volume due to the addition of alloying elements and the bulk modulus is also related to the total molar volume (Vm and electron density (nAl31x with the relationship of nAl31x=1.0594+0.0207√B/Vm. These results are of relevance to tailor the properties of Al alloys.
Thermoelectric properties of rocksalt ZnO from first-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Alvarado, Andrew; Attapattu, Jeevake; Zhang, Yi; Chen, Changfeng [Department of Physics and High Pressure Science and Engineering Center, University of Nevada, Las Vegas, Nevada 89154 (United States)
2015-10-28
Zinc oxide (ZnO) undergoes a pressure-induced structural transition from its normal ambient-pressure wurtzite (WZ) phase to a rocksalt (RS) phase around 10 GPa. A recent experiment shows that the high-pressure RS ZnO phase can be recovered and stabilized at ambient conditions, which raises exciting prospects of expanding the range of properties of ZnO. For a fundamental understanding of the RS ZnO phase, we have performed first-principles calculations to determine its electronic, phonon, and thermodynamic properties at high (20 GPa) and ambient (0 GPa) pressure. Furthermore, we have calculated its electrical and thermal transport properties, which allow an evaluation of its thermoelectric figure of merit ZT at different temperature and doping levels. Our calculations show that the ambient-pressure RS ZnO phase can reach ZT values of 0.25 to 0.3 under both n-type and p-type doping in a large temperature range of 400 K to 800 K, which is considerably lower than the temperature range of 1400 K to 1600 K where WZ ZnO reaches similar ZT values. These results establish RS ZnO as a promising material for thermoelectric devices designed to operate at temperatures desirable for many heat recovery applications.
Ab initio calculations of the optical properties of crystalline and liquid InSb
International Nuclear Information System (INIS)
Ab initio calculations of the electronic and optical properties of InSb were performed for both the crystalline and liquid states. Two sets of atomic structure models for liquid InSb at 900 K were obtained by ab initio molecular dynamics simulations. To reduce the effect of structural peculiarities in the liquid models, an averaging of the two sets of the calculated electronic and optical properties corresponding to the two liquid models was performed. The calculated results indicate that, owing to the phase transition from crystal to liquid, the density of states around the Fermi level increases. As a result, the energy band gap opening near the Fermi level disappears. Consequently, the optical properties change from semiconductor to metallic behavior. Namely, owing to the melting of InSb, the interband transition peaks disappear and a Drude-like dispersion is observed in the optical dielectric functions. The optical absorption at a photon energy of 3.06 eV, which is used in Blu-ray Disc systems, increases owing to the melting of InSb. This increase in optical absorption is proposed to result from the increased optical transitions below 2 eV
Energy Technology Data Exchange (ETDEWEB)
Duan, Yuhua
2012-11-02
Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO{sub 2} sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO{sub 2} capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we first introduce our screening methodology and the results on a testing set of solids with known thermodynamic properties to validate our methodology. Then, by applying our computational method
Evaluation of fission gas release in Oskarshamn 2 fuel rods
International Nuclear Information System (INIS)
Data on fission gas release from 30 Oskarshamn 2 fuel rods is presented and analyzed. These rods were selected by gamma scanning screening measurements performed on 65 fuel rods. The rods experienced peak power levels 25-34 kW/m in the burnup range of 18.5 to 41 MWd/kg U, higher power and burnups than the previous experimental programs, the Oskarshamn 1 and Barsebeck 1 rods. As a result, a larger fraction of rods fall into the high fission gas release group. The STAV5 code is used for the analysis of fission gas release data. The code is capable in most instances to capture the experimental points. It takes as an input the fuel rod design dimensions data and power histories calculated by other ASEA-ATOM codes. With STAV5, one is enabled to treat each rod individually on the bases of its detailed power histories and its UO2 stability properties. The report includes manufacturing data, PIE data, and the description of the models used in STAV5 for gas release prediction. The results of STAV5 calculations for a number of rods are reported and several remarks for improvements have been proposed. (author)
Neutron induced fission of 234U
Pomp S.; Al-Adili A.; Oberstedt S.; Hambsch F.-J.
2012-01-01
The fission fragment properties of 234U(n,f) were investigated as a function of incident neutron energy from 0.2 MeV up to 5 MeV. The fission fragment mass, angular distribution and kinetic energy were measured with a double Frisch-grid ionization chamber using both analogue and digital data acquisition techniques. The reaction 234U(n,f) is relevant, since it involves the same compound nucleus as formed after neutron evaporation from highly excited 236U*, the so-called second-chance fission o...
The chemistry of the fission products
International Nuclear Information System (INIS)
This is a review of chemistry of some chemical elements in fission products. The elements mentioned are krypton, xenon, rubidium, caesium, silver, strontium, barium, cadmium, rare earth elements, zirconium, niobium, antimony, molybdenum, tellurium, technetium, bromine, iodine, ruthenium, rhodium and palladium. The chemistry of elements and their oxides is briefly given together with the chemical species in aqueous solution. The report also contains tables of the physical properties of the elements and their oxides, of fission products nuclides with their half-life and fission yields and of the permissible concentrations. (author)
Harloff, G. J.
1986-01-01
Real thermodynamic and transport properties of hydrogen, steam, the SSME mixture, and air are developed. The SSME mixture properties are needed for the analysis of the space shuttle main engine fuel turbine. The mixture conditions for the gases, except air, are presented graphically over a temperature range from 800 to 1200 K, and a pressure range from 1 to 500 atm. Air properties are given over a temperature range of 320 to 500 K, which are within the bounds of the thermodynamics programs used, in order to provide mixture data which is more easily checked (than H2/H2O). The real gas property variation of the SSME mixture is quantified. Polynomial expressions, needed for future computer analysis, for viscosity, Prandtl number, and thermal conductivity are given for the H2/H2O SSME fuel turbine mixture at a pressure of 305 atm over a range of temperatures from 950 to 1140 K. These conditions are representative of the SSME turbine operation. Performance calculations are presented for the space shuttle main engine (SSME) fuel turbine. The calculations use the air equivalent concept. Progress towards obtaining the capability to evaluate the performance of the SSME fuel turbine, with the H2/H2O mixture, is described.
Electronic properties of tantalum pentoxide polymorphs from first-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Lee, J. [Department of Materials Science and Engineering, University of Michigan, Ann Arbor 48109 (United States); Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor 48109 (United States); Lu, W. [Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor 48109 (United States); Kioupakis, E., E-mail: kioup@umich.edu [Department of Materials Science and Engineering, University of Michigan, Ann Arbor 48109 (United States)
2014-11-17
Tantalum pentoxide (Ta{sub 2}O{sub 5}) is extensively studied for its attractive properties in dielectric films, anti-reflection coatings, and resistive switching memory. Although various crystalline structures of tantalum pentoxide have been reported, its structural, electronic, and optical properties still remain a subject of research. We investigate the electronic and optical properties of crystalline and amorphous Ta{sub 2}O{sub 5} structures using first-principles calculations based on density functional theory and the GW method. The calculated band gaps of the crystalline structures are too small to explain the experimental measurements, but the amorphous structure exhibits a strong exciton binding energy and an optical band gap (∼4 eV) in agreement with experiment. We determine the atomic orbitals that constitute the conduction band for each polymorph and analyze the dependence of the band gap on the atomic geometry. Our results establish the connection between the underlying structure and the electronic and optical properties of Ta{sub 2}O{sub 5}.
Statistical model investigation of nuclear fission
International Nuclear Information System (INIS)
To assist in the improvement of fission product yield data libraries, the statistical theory of fission was investigated. Calculation of the theory employs a recent nuclear mass formula and nuclear density of states expression. Yields computed with a simple statement of the theory do not give satisfactory results. A slowly varying empirical parameter is introduced to improve agreement between measured and calculated yields. The parameter is interpreted as the spacing between the tips of the fragments at the instant of scission or as the length of a neck in the fissioning nucleus immediately prior to scission. With this spacing parameter semi-quantitative agreement is obtained between calculated and measured mass chain yields for six cases investigated, 233U(n/sub th/, f), 235U(n/sub th, f), 239Pu(n/sub th/, f), 235U(n+14, f), 238U(n+14, f), and 252Cf(sf). An indication of the source of mass asymmetry in fission is presented. The model developed predicts a mass and energy dependence of some of the parameters of models currently in use in data generation. A procedure for the estimation of the fission product yields for an arbitrary fissioning system is proposed. 63 references
Full potential calculation of structural, electronic and optical properties of KMgF3
International Nuclear Information System (INIS)
A theoretical study of the structural, electronic and optical properties of KMgF3 is presented using the full-potential linearized augmented plane wave method (FP-LAPW). In this approach, the local density approximation was used for the exchange-correlation potentials. First, we present the main features of the structural and electronic properties of this compound, where the electronic band structure shows that the fundamental energy gap is indirect. The contribution of the different bands was analysed from the total and partial density of states curves. The different interband transitions have been determined from the imaginary part of the dielectric function. The results are compared with previous calculations and with experimental measurements. The present work also deals with the behaviour of electronic properties, namely, the energy band gaps, and the valence bandwidth of KMgF3 subject of hydrostatic pressures up to 30 GPa
Near-infrared radiation absorption properties of covellite (CuS using first-principles calculations
Directory of Open Access Journals (Sweden)
Lihua Xiao
2016-08-01
Full Text Available First-principles density functional theory was used to investigate the electronic structure, optical properties and the origin of the near-infrared (NIR absorption of covellite (CuS. The calculated lattice constant and optical properties are found to be in reasonable agreement with experimental and theoretical findings. The electronic structure reveals that the valence and conduction bands of covellite are determined by the Cu 3d and S 3p states. By analyzing its optical properties, we can fully understand the potential of covellite (CuS as a NIR absorbing material. Our results show that covellite (CuS exhibits NIR absorption due to its metal-like plasma oscillation in the NIR range.
Directory of Open Access Journals (Sweden)
G. H. Bordbar
2001-12-01
Full Text Available One of the most interesting application of the many-body methods to the nuclear physics is the calculation of the properties of the nuclear matter, especially its binding energy. In this paper, we have studied the influence of Δ -isobar on the properties of the symmetrical nuclear matter using the lowest order constrained variational (LOCV method with the V28 potential. It is shown that the inclusion of Δ- isobar substantially affect the saturation properties of the symmetrical nuclear matter. We have shown that, at low (high densities, the saturation curve of nuclear matter is shifted downward (upward. This is due to the fact that the repulsive effect of the V28 potential increases by increasing density. It is seen that the equation of state of nuclear matter with the V28 potential is much harder than those with the A V14 potential.
Zhou, Jiawei; Liao, Bolin; Chen, Gang
2016-04-01
The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). An understanding of the transport details can lead to material designs with better performances. In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials (such as band structure and phonon dispersion) accurately. Accordingly, methods have been developed to calculate the transport properties based on an ab initio approach. In this review we focus on the thermal, electrical, and thermoelectric transport properties of semiconductors, which represent the basic transport characteristics of the two degrees of freedom in solids—electronic and lattice degrees of freedom. Starting from the coupled electron-phonon Boltzmann transport equations, we illustrate different scattering mechanisms that change the transport features and review the first-principles approaches that solve the transport equations. We then present the first-principles results on the thermal and electrical transport properties of semiconductors. The discussions are grouped based on different scattering mechanisms including phonon-phonon scattering, phonon scattering by equilibrium electrons, carrier scattering by equilibrium phonons, carrier scattering by polar optical phonons, scatterings due to impurities, alloying and doping, and the phonon drag effect. We show how the first-principles methods allow one to investigate transport properties with unprecedented detail and also offer new insights into the electron and phonon transport. The current status of the simulation is mentioned when appropriate and some of the future directions are also discussed.
Prediction of fission gas release at high burn-up
International Nuclear Information System (INIS)
Reliable design of LWR fuel rods requires the fission gas release to be predicted as accurately as possible. Indeed that physical phenomenon governs both the fuel temperatures and the inner gas pressure. Fission gas release data have been reviewed by the NRC and it has been concluded that a fission gas release enhancement occurs at burn-up above 20 GWd/tM. To correct deficient fission gas release models which do not include burn-up dependence, the NRC developed an empirical correction method to describe burn-up enhancement effect. BELGONUCLEAIRE has developed its own fission gas release model which is utilized in licensing calculation through the COMETHE code. Fission gas release predictions at high burn-up are confronted to the experimental data as well as to the predictions of the NRC correlation. The physics of the fission gas release phenomenon is discussed
Importance of light scattering properties of cloud particles on calculating the earth energy cycle
Letu, H.; Nakajima, T. Y.; Nagao, T. M.; Ishimoto, H.
2013-12-01
The Earth is an open system, and the energy cycle of the Earth is not always a certain amount. In other words, the energy cycle in the nature is imbalance. A better understanding of the earth energy cycle is very important to study global climate change. the IPCC-AR4 reported that the cloud in the atmosphere are still characterized by large uncertainties in the estimation of their effects on energy sysle of the Earth's atmosphere. There are two types of cloud in the atmosphere, which are Cirrus and warm water cloud. In order to strongly reflect visible wavelength from sun light, thick water cloud has the effect of cooling the earth surface. When Cirrus is compared to water cloud, temperature is almost lower. Thus, there is a feature that Cirrus is easy to absorb long-wave radiation than warm water cloud. However, in order to quantitatively evaluate the reflection and absorption characteristics of cloud on remote senssing application and energy cycle of the imbalance of nature, it is necessary to obtain the scattering properties of cloud particles. Since the shapes of the water cloud particle are close to spherical, scattering properties of the particles can be calculated accurately by the Mie theory. However, Cirrus particles have a complex shape, including hexagonal, plate, and other non- spherical shapes. Different from warm water cloud partical, it is required to use several different light scattering methods when calculating the light scattering properties of the non-spherical Cirrus cloud particals. Ishimoto et al. [2010, 2012] and Masuda et al. [2012] developed the Finite-Difference Time Domain method (FDTD) and Improved Geometrical-Optics Method (IGOM) for the solution of light scattering by non-spherical particles. Nakajima et al [1997,2009] developed the LIght Scattering solver for Arbitral Shape particle (Lisas)-Geometrical-Optics Method (GOM) and Surface Integral Equations Method of Müller-type (SIEMM) to calculate the light scattering properties for
Spontaneous fission of 256Rf, new data
Svirikhin, A. I.; Yeremin, A. V.; Izosimov, I. N.; Isaev, A. V.; Kuznetsov, A. N.; Malyshev, O. N.; Popeko, A. G.; Popov, Yu. A.; Sokol, E. A.; Chelnokov, M. L.; Chepigin, V. I.; Andel, B.; Asfari, M. Z.; Gall, B.; Yoshihiro, N.; Kalaninova, Z.; Mullins, S.; Piot, J.; Stefanova, E.; Tonev, D.
2016-07-01
Spontaneous fission properties of the short-lived neutron-deficient 256Rf nucleus produced in the complete fusion reaction with a beam of multiply charged heavy 50Ti ions from the U-400 cyclotron (FLNR, JINR) are experimentally investigated. Its half-life and decay branching ratio are measured. The average number of neutrons per spontaneous fission of 256Rf (bar v = 4.47 ± 0.09) is determined for the first time.
International Nuclear Information System (INIS)
An appropriate theoretical model for fission fragment mass distribution (FFMD) of a highly excited heavy nucleus involves multidimensional Langevin dynamical calculations. Though a full Langevin simulation provides a more accurate description of fission dynamics, it is often replaced by a combined dynamical and statistical model (CDSM). This is essentially done because the demand on computer time for a full Langevin calculation is very large. In CDSM, the Langevin dynamical computation is pursued for a time interval during which the initial transients are settled and the fission width has reached a stationary value. The decay of the compound nucleus in subsequent times is followed treating fission at par with other decay channels, such as particle and γ emission channels which are already included in the calculation from the beginning, and using statistical methods. Evidently, CDSM takes less computer time than full dynamical model simulation
A transferable model for singlet-fission kinetics.
Yost, Shane R; Lee, Jiye; Wilson, Mark W B; Wu, Tony; McMahon, David P; Parkhurst, Rebecca R; Thompson, Nicholas J; Congreve, Daniel N; Rao, Akshay; Johnson, Kerr; Sfeir, Matthew Y; Bawendi, Moungi G; Swager, Timothy M; Friend, Richard H; Baldo, Marc A; Van Voorhis, Troy
2014-06-01
Exciton fission is a process that occurs in certain organic materials whereby one singlet exciton splits into two independent triplets. In photovoltaic devices these two triplet excitons can each generate an electron, producing quantum yields per photon of >100% and potentially enabling single-junction power efficiencies above 40%. Here, we measure fission dynamics using ultrafast photoinduced absorption and present a first-principles expression that successfully reproduces the fission rate in materials with vastly different structures. Fission is non-adiabatic and Marcus-like in weakly interacting systems, becoming adiabatic and coupling-independent at larger interaction strengths. In neat films, we demonstrate fission yields near unity even when monomers are separated by >5 Å. For efficient solar cells, however, we show that fission must outcompete charge generation from the singlet exciton. This work lays the foundation for tailoring molecular properties like solubility and energy level alignment while maintaining the high fission yield required for photovoltaic applications. PMID:24848234
Calculation of optical properties for hot plasmas using a screened hydrogenic model
International Nuclear Information System (INIS)
In this work a hydrogenic version of the code ATOM3R-OP is presented, it means that we have implemented in the last version of the code a screened hydrogenic model as the atomic calculation core. We have chosen this atomic model because it has been widely used in plasma physics calculations for years with good results. This flexible code has been developed to obtain optical properties for plasmas in a wide range of densities and temperatures and the hydrogenic versions is intended to couple with hydrodynamic codes. The code is structured in three modules devoted to the calculation of the atomic magnitudes, the ionic abundances and the optical properties, they are briefly described. Finally, bound-bound opacities and emissivities of Carbon plasma computed with this model are compared with more sophisticated self-consistent codes. We show that a very good agreement for global quantities like the average ionization does not guarantee a detailed level description of the opacity and emissivity. The peaks appear to be in the correct places which indicate that the hydrogenic model energies have a good quality for carbon opacity and emissivity. The analysis shows that the discrepancies appear as a consequence of the low quality of the screened hydrogenic wave functions for computing the transition oscillator strengths
Defect properties of CuCrO2: A density functional theory calculation
Institute of Scientific and Technical Information of China (English)
Fang Zhi-Jie; Zhu Ji-Zhen; Zhou Jiang; Mo Man
2012-01-01
Using the first-principles methods,we study the formation energetics properties of intrinsic defects,and the charge doping properties of extrinsic defects in transparent conducting oxides CuCrO2.Intrinsic defects,some typical acceptortype,and donor-type extrinsic defects in their relevant charge state are considered.By systematically calculating the formation energies and transition energy,the results of calculation show that,Vcu,Oi,and OCu are the relevant intrinsic defects in CuCrO2; among these intrinsic defects,VCu is the most efficient acceptor in CuCrO2.It is found that all the donor-type extrinsic defects have difficulty in inducing n-conductivity in CuCrO2 because of their deep transition energy level.For all the acceptor-type extrinsic defects,substituting Mg for Cr is the most prominent doping acceptor with relative shallow transition energy levels in CuCrO2.Our calculation results are expected to be a guide for preparing promising n-type and p-type materials in CuCrO2.
Synthesis, characterization and DFT calculations of electronic and optical properties of YbPO4
International Nuclear Information System (INIS)
Highlights: • Single crystals of YbPO4 were synthesized and characterized. • Electronic structure and optical properties were investigated by DFT method. • The DFT method is based on a combination of the GGA and the LDA + U approaches. • The calculated values were compared to the phosphate experimental data. - Abstract: YbPO4 crystals were synthesized by solid-state reaction and characterized by X-ray diffraction, infrared and Raman spectroscopies. The electronic structure and optical properties of YbPO4 such as the energy band structures, density of states and chemical bonds were calculated with the Density Functional Theory (DFT) for the first time. We present a combination of the GGA and the LDA + U approaches in order to obtain appropriate results due to the strong Coulomb repulsion between the highly localized 4f electrons of rare earth atoms. The linear photon-energy-dependent dielectric functions, conductivity and some optical constants such as refractive index, reflectivity and absorption coefficients were determined. The calculated total and partial densities of states indicate that the top of valance band is built upon O-2p states with P-3p states via σ (P–O) interactions, and the conduction bands mostly originate from Yb-5d states
Shabaev, A.; Lambrakos, S. G.; Bernstein, N.; Jacobs, V.; Finkenstadt, D.
2011-12-01
The current need for better detection of explosive devices has imposed a new necessity for determining the dielectric response properties of energetic materials with respect to electromagnetic wave excitation. Among the range of different frequencies for electromagnetic excitation, the THz frequency range is of particular interest because of its nondestructive nature and ability to penetrate materials that are characteristic of clothing. Typically, the dielectric response properties for electromagnetic wave excitation at THz frequencies, as well as at other frequencies, are determined by means of experimental measurements. The present study, however, emphasizes that density functional theory (DFT), and associated software technology, is sufficiently mature for the determination of dielectric response functions, and actually provides complementary information to that obtained from experiment. In particular, these dielectric response functions provide quantitative initial estimates of spectral response features that can be adjusted with respect to additional information such as laboratory measurements and other types of theory-based calculations, as well as providing for the molecular level interpretation of response structure. This point is demonstrated in the present study by calculations of ground-state resonance structure associated with the high explosives RDX, TNT1, and TNT2 using DFT, which is for the construction of parameterized dielectric response functions for excitation by electromagnetic waves at frequencies within the THz range. The DFT software NRLMOL was used for the calculations of ground-state resonance structure presented here.
Synthesis, characterization and DFT calculations of electronic and optical properties of YbPO{sub 4}
Energy Technology Data Exchange (ETDEWEB)
Khadraoui, Z.; Horchani-Naifer, K.; Ferhi, M., E-mail: ferhi.mounir@gmail.com; Ferid, M.
2015-08-18
Highlights: • Single crystals of YbPO{sub 4} were synthesized and characterized. • Electronic structure and optical properties were investigated by DFT method. • The DFT method is based on a combination of the GGA and the LDA + U approaches. • The calculated values were compared to the phosphate experimental data. - Abstract: YbPO{sub 4} crystals were synthesized by solid-state reaction and characterized by X-ray diffraction, infrared and Raman spectroscopies. The electronic structure and optical properties of YbPO{sub 4} such as the energy band structures, density of states and chemical bonds were calculated with the Density Functional Theory (DFT) for the first time. We present a combination of the GGA and the LDA + U approaches in order to obtain appropriate results due to the strong Coulomb repulsion between the highly localized 4f electrons of rare earth atoms. The linear photon-energy-dependent dielectric functions, conductivity and some optical constants such as refractive index, reflectivity and absorption coefficients were determined. The calculated total and partial densities of states indicate that the top of valance band is built upon O-2p states with P-3p states via σ (P–O) interactions, and the conduction bands mostly originate from Yb-5d states.
Gravitational Waves from a Fissioning White Hole
Gomez, R.; Husa, S.; Lehner, L.; Winicour, J.
2002-01-01
We present a fully nonlinear calculation of the waveform of the gravitational radiation emitted in the fission of a vacuum white hole. At early times, the waveforms agree with close approximation perturbative calculations but they reveal dramatic time and angular dependence in the nonlinear regime. The results pave the way for a subsequent computation of the radiation emitted after a binary black hole merger.
Topping, D.; Barley, M. H.; Bane, M.; Higham, N.; Aumont, B.; McFiggans, G.
2015-11-01
In this paper we describe the development and application of a new web based facility, UManSysProp (manchester.ac.uk"target="_blank">http://umansysprop.seaes.manchester.ac.uk), for automating predictions of molecular and atmospheric aerosol properties. Current facilities include: pure component vapour pressures, critical properties and sub-cooled densities of organic molecules; activity coefficient predictions for mixed inorganic-organic liquid systems; hygroscopic growth factors and CCN activation potential of mixed inorganic/organic aerosol particles; absorptive partitioning calculations with/without a treatment of non-ideality. The aim of this new facility is to provide a single point of reference for all properties relevant to atmospheric aerosol that have been checked for applicability to atmospheric compounds where possible. The group contribution approach allows users to upload molecular information in the form of SMILES strings and UManSysProp will automatically extract the relevant information for calculations. Built using open source chemical informatics, and hosted at the University of Manchester, the facilities are provided via a browser and device-friendly web-interface, or can be accessed using the user's own code via a JSON API. In this paper we demonstrate its use with specific examples that can be simulated using the web-browser interface.
Energy Technology Data Exchange (ETDEWEB)
Miranda, Fabio S.; Ronconi, Celia M.; Sousa, Mikaelly O.B.; Silveira, Gleiciani Q.; Vargas, Maria D., E-mail: miranda@vm.uff.br, E-mail: mdvargascp@gmail.com [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil). Inst. de Quimica
2014-01-15
Four novel 6-aminocoumarin-naphthoquinone conjugates were synthesized and their photophysical and electrochemical properties, investigated. 2-Chloro-3-(2-oxo-2H-chromen-6- ylamino)-1,4-naphthoquinone 1 did not present appreciable fluorescence in solution in comparison with 6-aminocoumarin, 6-AC. In order to understand the reasons for the fluorescence quenching in this compound, two strategies were attempted. Firstly, compound 1 was N-methylated to remove the intramolecular N-H...O=C electrostatic interaction that maintained the two units fixed, but the emission properties of the product 2 were not significantly different from those of 1. Time-dependent density functional theory (TD-DFT) calculations of compounds 1 and 2 indicate that the fluorescence quenching is related to the electron acceptor character of the naphthoquinone ring. The second strategy, therefore, involved the substitution of the chlorine atom in position 2 of the naphthoquinone nucleus for different electron donor groups (compounds 3-5), but again the emission properties did not change significantly. To explain these experimental findings, TD-DFT calculations of the ground (S{sub 0}) and excited (S{sub 1}) states of all molecules in solution were carried out. The results suggest that the energy states in these conjugates are such that the fluorescent group (6-AC) donates electrons to the naphthoquinone LUMO resulting in an oxidative photoinduced electron transfer (oxidative-PET). (author)
Fission studies at the IGISOL facility
International Nuclear Information System (INIS)
Studies of the properties of the fission products ant the induced fission reaction mechanism have been a significant part of the nuclear physics research program at the IGISOL for more than 20 years. For example, one of the key motivations behind the commitment of the JYFLTRAP was isobaric separation of the fission products for spectroscopic studies. Such experiments have indeed been performed, however, the JYFLTRAP twin trap has turned out to be even more versatile instrument anyone dared dream of in advantage. The precision atomic mass measurements of neutron rich fission products has thus far resulted in considerably improved mass value for more than 150 neutron-rich isotopes, on top of which becomes the work on proton rich side. The purification Penning trap has also proven to be an excellent tool for independent fission cross section measurements. This novel method employs ion counting after JYFLTRAP and is described in a detailed way. The method takes advantage of the fact that JYFLTRAP can be used as a mass filter with a precision such that it allows an unambiguous identification of most of the fragments produced in the low-energy fission of 238U. A satisfactory agreement with previous measurements was found for independent yields of Cs isotopes in 50 MeV proton induced fission
Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations
International Nuclear Information System (INIS)
The structures and magnetic properties of Co-Zr-B alloys near the composition of Co5Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co11Zr2” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co5Zr phase and larger than that of the low-temperature Co5.25Zr phase. Our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys
The first-principles calculations for the elastic properties of Zr2Al under compression
International Nuclear Information System (INIS)
Graphical abstract: The calculated elastic constants Cij as a function of pressure P. Display Omitted Research highlights: → It is found that the five independent elastic constants increase monotonically with pressure. C11 and C33 vary rapidly as pressure increases, C13 and C12 becomes moderate. However, C44 increases comparatively slowly with pressure. Figure shows excellent satisfaction of the calculated elastic constants of Zr2Al to these equations and hence in our calculation, the Zr2Al is mechanically stable at pressure up to 100 GPa. - Abstract: The first-principles calculations were applied to investigate the structural, elastic constants of Zr2Al alloy with increasing pressure. These properties are based on the plane wave pseudopotential density functional theory (DFT) method within the generalized gradient approximation (GGA) for exchange and correlation. The result of the heat of formation of Zr2Al crystal investigated is in excellent consistent with results from other study. The anisotropy, the shear modulus, and Young's modulus for the ideal polycrystalline Zr2Al are also studied. It is found that (higher) pressure can significantly improve the ductility of Zr2Al. Moreover, the elastic constants of Zr2Al increase monotonically and the anisotropies decrease with the increasing pressure. Finally, it is observed that Zr d electrons are mainly contributed to the density of states at the Fermi level.
Yang, Xiao-Yong; Lu, Yong; Zheng, Fa-Wei; Zhang, Ping
2015-11-01
Mechanical, electronic, and thermodynamic properties of zirconium carbide have been systematically studied using the ab initio calculations. The calculated equilibrium lattice parameter, bulk modulus, and elastic constants are all well consistent with the experimental data. The electronic band structure indicates that the mixture of C 2p and Zr 4d and 4p orbitals around the Fermi level makes a large covalent contribution to the chemical bonds between the C and Zr atoms. The Bader charge analysis suggests that there are about 1.71 electrons transferred from each Zr atom to its nearest C atom. Therefore, the Zr-C bond displays a mixed ionic/covalent character. The calculated phonon dispersions of ZrC are stable, coinciding with the experimental measurement. A drastic expansion in the volume of ZrC is seen with increasing temperature, while the bulk modulus decreases linearly. Based on the calculated phonon dispersion curves and within the quasi-harmonic approximation, the temperature dependence of the heat capacities is obtained, which gives a good description compared with the available experimental data. Project supported by the National Natural Science Foundation of China (Grant No. 51071032).
Calculation of the properties of digital mammograms using a computer simulation
International Nuclear Information System (INIS)
A Mote Carlo computer model of mammography has been developed to study and optimise the performance of digital mammographic systems. The program uses high-resolution voxel phantoms to model the breast, which simulate the adipose and fibro-glandular tissues, Cooper's ligaments, ducts and skin in three dimensions. The model calculates the dose to each tissue, and also the quantities such as energy imparted to image pixels, noise per image pixel and scatter-to-primary (S/P) ratios. It allows studies of the dependence of image properties on breast structure and on position within the image. The program has been calibrated by calculating and measuring the pixel values and noise for a digital mammographic system. The thicknesses of two components of this system were unknown, and were adjusted to obtain a good agreement between measurement and calculation. The utility of the program is demonstrated with the calculations of the variation of the S/P ratio with and without a grid, and of the image contrast across the image of a 50-mm-thick breast phantom. (authors)
Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations
Energy Technology Data Exchange (ETDEWEB)
Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; Wang, Cai-Zhuang, E-mail: wangcz@ameslab.gov; Ho, Kai-Ming, E-mail: kmh@ameslab.gov [Ames Laboratory, U.S. DOE and Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)
2015-06-28
The structures and magnetic properties of Co-Zr-B alloys near the composition of Co{sub 5}Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co{sub 11}Zr{sub 2}” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co{sub 5}Zr phase and larger than that of the low-temperature Co{sub 5.25}Zr phase. Our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.
Poenaru, Dorin N.; Gherghescu, Radu A.; Greiner, Walter
2005-01-01
Complex fission phenomena are studied in a unified way. Very general reflection asymmetrical equilibrium (saddle point) nuclear shapes are obtained by solving an integro-differential equation without being necessary to specify a certain parametrization. The mass asymmetry in binary cold fission of Th and U isotopes is explained as the result of adding a phenomenological shell correction to the liquid drop model deformation energy. Applications to binary, ternary, and quaternary fission are ou...