Explosion-evaporation model for fragment production in intermediate-energy nuclear collisions

International Nuclear Information System (INIS)

Fai, G.; Randrup, J.

1981-01-01

Nuclear collisions at intermediate energies may create transient systems of hot nuclear matter that decay into many nuclear fragments. The disassembly of such a nuclear fireball is described as a two-stage process. In the primary explosion stage the system quickly fragments into nucleons and composite nuclei according to the available phase space. The explosion produces excited nuclei with half-lives longer than the time associated with the breakup. In the secondary evaporation stage, these nuclei decay, first by sequential emission of light particles (neutrons, protons, alphas), later by electromagnetic radiation. The secondary stage in general changes the relative abundancies of the various fragment species. This general feature makes it essential to take account of the composite fragments before using d/p as a measure of the entropy of the initial source. The formation of unbound nuclei at the explosion stage also has the desirable effect of enhancing the final abundancies of particularly stable nuclei, e.g., 4 He. For neutron-excessive sources the presence of composite nuclei amplifies the ratio of observed neutrons and protons; this effect persists for heavier mirror systems. Predictions of the model are qualitatively compared to available experimental data. The model offers a convenient way to augment existing dynamical models, such as intra-nuclear cascade and nuclear fluid dynamics, to yield actual nuclear fragments rather than merely matter distributions

Fragmentation processes in nuclear reactions

International Nuclear Information System (INIS)

Baur, G.; Roesel, F.; Trautmann, D.; Shyam, R.

1983-10-01

Fragmentation processes in nuclear collisions are reviewed. The main emphasis is put on light ion breakup at nonrelativistic energies. The post- and prior-form DWBA theories are discussed. The post-form DWBA, appropriate for the ''spectator breakup'' describes elastic as well as inelastic breakup modes. This theory can also account for the stripping to unbound states. The theoretical models are compared to typical experimental results to illustrate the various possible mechanisms. It is discussed, how breakup reactions can be used to study high-lying single particle strength in the continuum; how it can yield information about momentum distributions of fragments in the nucleus. (orig.)

On the nuclear fragmentation mechanisms in nuclear collisions at intermediate and high energies

International Nuclear Information System (INIS)

Jipa, Al; Besliu, C.; Felea, D.

2004-01-01

The nuclear fragmentation mechanisms can be discussed by taking into account different scales related to the fragment sizes. Considering two fragmentation mechanisms of the nuclei at the same incident energy an analysis of the experimental results obtained was done. Goldhaber formula was improved by analyzing the discrepancies between data and theories concerning the projectile fragmentation. We implied that the projectile fragmentation process would be governed by the distribution of nucleon momenta in the projectile after the collision occurred. We used in our analysis protons from the 4 He + 7 Li at 4.5 GeV/c per nucleon incident momentum, as well as from 40 Ar + 12 C at 213 AMeV bombarding energy. We proved that in order to proceed in analyzing the projectile fragmentation process at intermediate and high energies one has to consider the dependence σ 0 on the apparent temperature of projectile nucleus after the collision took place. The generalized Bertsch correction for light projectile nuclei and fragments was used and the number of spatial correlations between identical nucleons having anticorrelated momenta was found. Thus we found apparent temperature values close to the separation energies of the considered fragments per number of fragments. The temperatures associated to kinetic energy spectra of the projectile fragments were calculated following two methods. The results from Bauer's method were compared with those obtained by fitting the kinetic energy distributions of the projectile fragments in the rest frame of the projectile with a Maxwellian curve. We also accomplished the comparison of the experimental results with similar events simulated with RQMD 2.4. All the results obtained suggested two nuclear fragmentation mechanisms: a sudden fragmentation by explosive mechanisms, like shock waves and a slow fragmentation by the 'fission' of the spectator regions, mainly because of the interactions with the particles or fragments emitted from the

Research of nuclear fragmentation characteristics

International Nuclear Information System (INIS)

Richert, J.

1989-01-01

Motivations for the study of nuclear fragmentation are presented. Different models and methods which were developed in the past are reviewed, critically discussed and confronted in connection with the experimental information gathered over the past years. Specific aspects related to the onset of the process, its characteristics and the mechanism which governs it are discussed [fr

Dynamics and instabilities in nuclear fragmentation

International Nuclear Information System (INIS)

Colonna, M.; Guarnera, A.; Di Toro, M.; Latora, V.; Smerzi, A.; Catania Univ.

1993-01-01

A general procedure to identify instability regions which lead to multifragmentation events is presented. The method covers all possible sources of dynamical instabilities. Informations on the instability point, like the time when the nuclear system enters the critical region, the most unstable modes and the time constant of the exponential growing of the relative variances, are deduced without any numerical bias. Important memory effects in the fragmentation pattern are revealed. Some hints towards a fully dynamical picture of fragmentation processes are finally suggested. (author) 7 refs., 3 figs

Coulomb effects in low-energy nuclear fragmentation

Science.gov (United States)

Wilson, John W.; Chun, Sang Y.; Badavi, Francis F.; John, Sarah

1993-01-01

Early versions of the Langley nuclear fragmentation code NUCFRAG (and a publicly released version called HZEFRG1) assumed straight-line trajectories throughout the interaction. As a consequence, NUCFRAG and HZEFRG1 give unrealistic cross sections for large mass removal from the projectile and target at low energies. A correction for the distortion of the trajectory by the nuclear Coulomb fields is used to derive fragmentation cross sections. A simple energy-loss term is applied to estimate the energy downshifts that greatly alter the Coulomb trajectory at low energy. The results, which are far more realistic than prior versions of the code, should provide the data base for future transport calculations. The systematic behavior of charge-removal cross sections compares favorably with results from low-energy experiments.

Implementation of surface hopping molecular dynamics using semiempirical methods

International Nuclear Information System (INIS)

Fabiano, E.; Keal, T.W.; Thiel, W.

2008-01-01

A molecular dynamics driver and surface hopping algorithm for nonadiabatic dynamics has been implemented in a development version of the MNDO semiempirical electronic structure package. The required energies, gradients and nonadiabatic couplings are efficiently evaluated on the fly using semiempirical configuration interaction methods. The choice of algorithms for the time evolution of the nuclear motion and quantum amplitudes is discussed, and different schemes for the computation of nonadiabatic couplings are analysed. The importance of molecular orbital tracking and electronic state following is underlined in the context of configuration interaction calculations. The method is applied to three case studies (ethylene, methaniminium ion, and methanimine) using the orthogonalization corrected OM2 Hamiltonian. In all three cases decay times and dynamics paths similar to high-level ab initio results are obtained

Fission and nuclear fragmentation of silver and bromine nuclei by photons of 1-6 GeV

International Nuclear Information System (INIS)

Pinheiro Filho, J.D.

1983-01-01

The studies of fission and fragmentation of silver and bromine nuclei by Bremsstrahlung photons of 1.6 GeV energy range are presented. The Il ford-KO nuclear emulsion submitted to Bremsstrahlung beams in Deutsches Elektronen Synchrotron (DESY) with total doses of 10'' equivalent photons, was used for nuclear fragment detection. The discrimination of fission and fragmentation events was done analysing angular distribution, range and angles between fragments. The results of fragment range distributions, angular distributions, distributions of angles between fragments, distributions of ratio between range, velocity distributions forward/backward ratio, cross sections of fission and fragmentation, nuclear fissionability and ternary fission frequency are presented and discussed. (M.C.K.)

Study of Particle Production and Nuclear Fragmentation in Relativistic Heavy-Ion Collisions in Nuclear Emulsions

CERN Multimedia

2002-01-01

% EMU11 \\\\ \\\\ We propose to use nuclear emulsions for the study of nuclear collisions of $^{207}$Pb, $^{197}$Au, and any other heavy-ion beams when they are available. We have, in the past, used $^{32}$S at 200A~GeV and $^{16}$O at 200A and 60A~GeV from CERN (Experiment EMU08) and at present the analysis is going on with $^{28}$Si beam from BNL at 14.5A~GeV. It will be important to compare the previous and the present investigations with the new $^{207}$Pb beam at 60-160A~GeV. We want to measure in nuclear emulsion, on an event by event basis, shower particle multiplicity, pseudorapidity density and density fluctuations of charged particles, charge multiplicity and angular distributions of projectile fragments, production and interaction cross-sections of heavily ionizing particles emitted from the target fragmentation. Special emphasis will be placed on the analysis of events produced in the central collisions which are selected on the basis of low energy fragments emitted from the target excitation. It woul...

High-energy nuclear reaction mechanisms - fission, fragmentation and spallation

International Nuclear Information System (INIS)

Kaufman, S.B.

1987-01-01

Measurements of the correlations in kinetic energy, mass, charge, and angle of coincident fragments formed in high-energy nuclear reactions have helped to characterize the processes of fission, fragmentation and spallation. For example, fission or fission-like two-body breakup mechanisms result in a strong angular correlation between two heavy fragments; in addition, the momentum transfer in the reaction can be deduced from the correlation. Another example is the multiplicity of light charged particles associated with a given heavy fragment, which is a measure of the violence of the collision, thus distinguishing between central and peripheral collisions. A summary of what has been learned about these processes from such studies will be given, along with some suggestions for further experiments

Determination of fragment orbitals and LCFO MO's in semiempirical methods with overlap matrices

International Nuclear Information System (INIS)

Konstantinavicius, K.V.; Lazauskas, V.M.

1988-01-01

We propose a technique for a fragment stage solution of the Roothaan equations, allowing us to obtain fragment orbitals (FO's) and to form molecular orbitals (LCFO MO'S) for the molecule from them. As an example, in the Mulliken-Wolfsberg-Helmholtz (MWH) approximation we obtain the orbitals for fragments of the simplest hydrocarbon molecules and we compare them with the FO's found in the CNDO/2 approximation. We discuss the possibilities in perturbation theory for joining the fragments and for study of the properties of the molecules in the FO basis

Semi-empirical formulas for sputtering yield

International Nuclear Information System (INIS)

Yamamura, Yasumichi

1994-01-01

When charged particles, electrons, light and so on are irradiated on solid surfaces, the materials are lost from the surfaces, and this phenomenon is called sputtering. In order to understand sputtering phenomenon, the bond energy of atoms on surfaces, the energy given to the vicinity of surfaces and the process of converting the given energy to the energy for releasing atoms must be known. The theories of sputtering and the semi-empirical formulas for evaluating the dependence of sputtering yield on incident energy are explained. The mechanisms of sputtering are that due to collision cascade in the case of heavy ion incidence and that due to surface atom recoil in the case of light ion incidence. The formulas for the sputtering yield of low energy heavy ion sputtering, high energy light ion sputtering and the general case between these extreme cases, and the Matsunami formula are shown. At the stage of the publication of Atomic Data and Nuclear Data Tables in 1984, the data up to 1983 were collected, and about 30 papers published thereafter were added. The experimental data for low Z materials, for example Be, B and C and light ion sputtering data were reported. The combination of ions and target atoms in the collected sputtering data is shown. The new semi-empirical formula by slightly adjusting the Matsunami formula was decided. (K.I.)

Nuclear Fragmentation in Clinical Heavy Ion Beams, Should We Worry?

DEFF Research Database (Denmark)

Bassler, Niels; Hansen, David Christoffer; Toftegaard, Jakob

2012-01-01

Particle therapy with fast ions is increasingly applied as a treatment option for localized inoperable tumour sites. One of the reasons for the increased complications of understanding heavy ion dosimetry and radiobiology stems from the mixed particle spectrum which occurs due to nuclear fragment......Particle therapy with fast ions is increasingly applied as a treatment option for localized inoperable tumour sites. One of the reasons for the increased complications of understanding heavy ion dosimetry and radiobiology stems from the mixed particle spectrum which occurs due to nuclear....... The concept of relative biological effectiveness (RBE) translates the physical dose to a biological effective dose which is iso-effective to photon radiation. Radiobiological models based on amorphous track structure such as the Local Effect Model, but also microdosimetry based models both rely on a full...... the sensitivity on the three fields mentioned above, including: turning off nuclear fragmentation entirely, changing all ineleastic cross sections +/- 20%, changing key parameters in the Fermi-Breakup (FB) model. Results show nuclear effects have their largest impact on the dose distribution. Stopping power...

Nuclear fragmentation reactions in extended media studied with Geant4 toolkit

Energy Technology Data Exchange (ETDEWEB)

Pshenichnov, Igor, E-mail: pshenich@fias.uni-frankfurt.d [Frankfurt Institute for Advanced Studies, J.-W. Goethe University, 60438 Frankfurt am Main (Germany); Institute for Nuclear Research, Russian Academy of Science, 117312 Moscow (Russian Federation); Botvina, Alexander [Frankfurt Institute for Advanced Studies, J.-W. Goethe University, 60438 Frankfurt am Main (Germany); Institute for Nuclear Research, Russian Academy of Science, 117312 Moscow (Russian Federation); Mishustin, Igor [Frankfurt Institute for Advanced Studies, J.-W. Goethe University, 60438 Frankfurt am Main (Germany); Kurchatov Institute, Russian Research Center, 123182 Moscow (Russian Federation); Greiner, Walter [Frankfurt Institute for Advanced Studies, J.-W. Goethe University, 60438 Frankfurt am Main (Germany)

2010-03-15

It is well-known from numerous experiments that nuclear multifragmentation is a dominating mechanism for production of intermediate mass fragments in nucleus-nucleus collisions at energies above 100AMeV. In this paper we investigate the validity and performance of the Fermi break-up model and the statistical multifragmentation model implemented as parts of the Geant4 toolkit. We study the impact of violent nuclear disintegration reactions on the depth-dose profiles and yields of secondary fragments for beams of light and medium-weight nuclei propagating in extended media. Implications for ion-beam cancer therapy and shielding from cosmic radiation are discussed.

Nuclear fragmentation reactions in extended media studied with Geant4 toolkit

International Nuclear Information System (INIS)

Pshenichnov, Igor; Botvina, Alexander; Mishustin, Igor; Greiner, Walter

2010-01-01

It is well-known from numerous experiments that nuclear multifragmentation is a dominating mechanism for production of intermediate mass fragments in nucleus-nucleus collisions at energies above 100AMeV. In this paper we investigate the validity and performance of the Fermi break-up model and the statistical multifragmentation model implemented as parts of the Geant4 toolkit. We study the impact of violent nuclear disintegration reactions on the depth-dose profiles and yields of secondary fragments for beams of light and medium-weight nuclei propagating in extended media. Implications for ion-beam cancer therapy and shielding from cosmic radiation are discussed.

Semi-empirical Determination of Detection Efficiency for Voluminous Source by Effective Solid Angle Method

Energy Technology Data Exchange (ETDEWEB)

Kang, M. Y.; Kim, J. H.; Choi, H. D. [Seoul National Univ., Seoul (Korea, Republic of); Sun, G. M. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2014-05-15

In the field of γ-ray measurements, the determination of full energy (FE) absorption peak efficiency for a voluminous sample is difficult, because the preparation of the certified radiation source with the same chemical composition and geometry for the original voluminous sample is not easy. In order to solve this inconvenience, simulation or semi-empirical methods are preferred in many cases. Effective Solid Angle (ESA) Code which includes semi-empirical approach has been developed by the Applied Nuclear Physics Group in Seoul National University. In this study, we validated ESA code by using Marinelli type voluminous KRISS (Korea Research Institute of Standards and Science) CRM (Certified Reference Materials) sources and IAEA standard γ-ray point sources. And semi-empirically determined efficiency curve for voluminous source by using the ESA code is compared with the experimental value. We calculated the efficiency curve of voluminous source from the measured efficiency of standard point source by using the ESA code. We will carry out the ESA code validation by measurement of various CRM volume sources with detector of different efficiency.

Notes on scaling and critical behaviour in nuclear fragmentation

International Nuclear Information System (INIS)

Campi, X.; Krivine, H.

1994-01-01

The relevance of the concepts of scaling and critical behaviour in nuclear fragmentation is discussed. Experimental results are reviewed to check whether the signals of a percolation or liquid-gas phase transition manifest themselves in the data. (author). 45 refs., 10 figs., 2 tabs

Nuclear targeting by fragmentation of the Potato spindle tuber viroid genome

International Nuclear Information System (INIS)

Abraitiene, Asta; Zhao Yan; Hammond, Rosemarie

2008-01-01

Transient expression of engineered reporter RNAs encoding an intron-containing green fluorescent protein (GFP) from a Potato virus X-based expression vector previously demonstrated the nuclear targeting capability of the 359 nucleotide Potato spindle tuber viroid (PSTVd) RNA genome. To further delimit the putative nuclear-targeting signal, PSTVd subgenomic fragments were embedded within the intron, and recombinant reporter RNAs were inoculated onto Nicotiana benthamiana plants. Appearance of green fluorescence in leaf tissue inoculated with PSTVd-fragment-containing constructs indicated shuttling of the RNA into the nucleus by fragments as short as 80 nucleotides in length. Plant-to-plant variation in the timing of intron removal and subsequent GFP fluorescence was observed; however, earliest and most abundant GFP expression was obtained with constructs containing the conserved hairpin I palindrome structure and embedded upper central conserved region. Our results suggest that this conserved sequence and/or the stem-loop structure it forms is sufficient for import of PSTVd into the nucleus

Computational Fluid Dynamics Modeling of Steam Condensation on Nuclear Containment Wall Surfaces Based on Semiempirical Generalized Correlations

Directory of Open Access Journals (Sweden)

Pavan K. Sharma

2012-01-01

Full Text Available In water-cooled nuclear power reactors, significant quantities of steam and hydrogen could be produced within the primary containment following the postulated design basis accidents (DBA or beyond design basis accidents (BDBA. For accurate calculation of the temperature/pressure rise and hydrogen transport calculation in nuclear reactor containment due to such scenarios, wall condensation heat transfer coefficient (HTC is used. In the present work, the adaptation of a commercial CFD code with the implementation of models for steam condensation on wall surfaces in presence of noncondensable gases is explained. Steam condensation has been modeled using the empirical average HTC, which was originally developed to be used for “lumped-parameter” (volume-averaged modeling of steam condensation in the presence of noncondensable gases. The present paper suggests a generalized HTC based on curve fitting of most of the reported semiempirical condensation models, which are valid for specific wall conditions. The present methodology has been validated against limited reported experimental data from the COPAIN experimental facility. This is the first step towards the CFD-based generalized analysis procedure for condensation modeling applicable for containment wall surfaces that is being evolved further for specific wall surfaces within the multicompartment containment atmosphere.

Toroidal and rotating bubble nuclei and the nuclear fragmentation

International Nuclear Information System (INIS)

Royer, G.; Fauchard, C.; Haddad, F.; Jouault, B.

1997-01-01

The energy of rotating bubble and toroidal nuclei predicted to be formed in central heavy ion collisions at intermediate energies is calculated within the generalized rotating liquid drop model. Previously, a one-parameter shape sequence has been defined to describe the path leading to pumpkin-like configurations and toroidal shapes. New analytical expressions for the shape dependent functions have been obtained. The potential barriers standing in these exotic deformation paths are compared with the three-dimensional and plane-fragmentation barriers. Metastable bubble-like minima only appear at very high angular momentum and above the three dimensional fragmentation barriers. In the toroidal deformation path of the heaviest systems exists a large potential pocket localized below the plane-fragmentation barriers. This might allow the temporary survival of heavy nuclear toroids before the final clusterization induced by the surface and proximity tension

Plasma wake and nuclear forces on fragmented H+ transport

International Nuclear Information System (INIS)

Barriga-Carrasco, Manuel D; Deutsch, Claude

2006-01-01

The objective of the present work is to study the target electronic and nuclear interactions produced when a H + ion traverses classical plasma matter. Electronic interactions are treated by means of the dielectric formalism while nuclear interactions are dealt within the classical dispersion theory through a Monte Carlo computer code. The interactions through plasma electronic medium among close ions are called wake forces. We checked that these forces screen the Coulomb explosions of the two fragmented protons from the same H + ion decreasing their relative distance in the analysed cases. These forces align the interproton vector along the motion direction. They also tend the two-proton energy loss to the value of two isolated protons when at early times it is rather larger. Nevertheless most parts of these wake effects cannot be corroborated experimentally as they are masked by the projectile collisions with target nuclei in our numerical experiment. These collisions cancel the screening produced by the wake forces, increasing the interproton distance even faster than for bare Coulomb explosion. Also they misalign the interproton vector along the motion direction and contribute moderately to increase the energy loss of the fragmented H + ion. These nuclear collisions effects are more significant in reducing projectile velocity

Generation and Nuclear Translocation of Sumoylated Transmembrane Fragment of Cell Adhesion Molecule L1

Science.gov (United States)

Lutz, David; Wolters-Eisfeld, Gerrit; Joshi, Gunjan; Djogo, Nevena; Jakovcevski, Igor; Schachner, Melitta; Kleene, Ralf

2012-01-01

The functions of the cell adhesion molecule L1 in the developing and adult nervous system are triggered by homophilic and heterophilic interactions that stimulate signal transductions that activate cellular responses. Here, we show that stimulation of signaling by function-triggering L1 antibodies or L1-Fc leads to serine protease-dependent cleavage of full-length L1 at the plasma membrane and generation of a sumoylated transmembrane 70-kDa fragment comprising the intracellular and transmembrane domains and part of the extracellular domain. The 70-kDa transmembrane fragment is transported from the plasma membrane to a late endosomal compartment, released from endosomal membranes into the cytoplasm, and transferred from there into the nucleus by a pathway that depends on importin and chromatin-modifying protein 1. Mutation of the sumoylation site at Lys1172 or of the nuclear localization signal at Lys1147 abolished L1-stimulated generation or nuclear import of the 70-kDa fragment, respectively. Nuclear import of the 70-kDa fragment may activate cellular responses in parallel or in association with phosphorylation-dependent signaling pathways. Alterations in the levels of the 70-kDa fragment during development and in the adult after spinal cord injury or in a mouse model of Alzheimer disease suggest that this fragment is functionally implicated in development, regeneration, neurodegeneration, tumorigenesis, and possibly synaptic plasticity in the mature nervous system. PMID:22431726

Inclusive characteristics of the nuclear target fragmentation products induced by relativistic particles

International Nuclear Information System (INIS)

Bogatin, V.I.; Ganza, E.A.; Lozhkin, O.V.; Murin, Yu.A.; Oplavin, V.S.; Perfilov, N.A.; Yakovlev, Yu.P.

1981-01-01

An experimental investigation of inclusive characteristics of nuclei-target fragmentation is conducted for further development and test of physical value of the earlier suggested nuclear fragmentation model based on the connection of the fragmentation with fluctuations of the quasiparticle density in the two-component quantum liquid, an experimental investigation of the inclusive characteristics of the nuclei-target fragmentation is carried out. The processes of sup(3, 4, 6, 8)He and sup(6, 7, 8, 9, 11)Li fragment formation during the interaction of relativistic protons (Esub(p)=6.7 GeV) and deutrons (Esub(d)=3.1 GeV) with 112 Sn and 124 Sn isotopes are studied by the method of semiconductive ΔE-E detectors. Differential energy spectra of fragments and isotopic ratio of cross sections of their formation as well as data on the dependence of isotopic ratios of fragmentation cross sections on the energy of incident particles and on the fragment energy are obtained. Presented is a phenomenological model of fragmentation within the frames of which the obtained experimental data are analyzed [ru

Nuclear fragmentation and the number of particle tracks in tissue

International Nuclear Information System (INIS)

Ponomarev, A. L.; Cucinotta, F. A.

2006-01-01

For high energy nuclei, the number of particle tracks per cell is modified by local nuclear reactions that occur, with large fluctuations expected for heavy ion tracks. Cells near the interaction site of a reaction will experience a much higher number of tracks than estimated by the average fluence. Two types of reaction products are possible and occur in coincidence; projectile fragments, which generally have smaller charge and similar velocity to that of the projectile, and target fragments, which are produced from the fragmentation of the nuclei of water atoms or other cellular constituents with low velocity. In order to understand the role of fragmentation in biological damage a new model of human tissue irradiated by heavy ions was developed. A box of the tissue is modelled with periodic boundary conditions imposed, which extrapolates the technique to macroscopic volumes of tissue. The cross sections for projectile and target fragmentation products are taken from the quantum multiple scattering fragmentation code previously developed at NASA Johnson Space Center. Statistics of fragmentation pathways occurring in a cell monolayer, as well as in a small volume of 10 x 10 x 10 cells are given. A discussion on approaches to extend the model to describe spatial distributions of inactivated or other cell damage types, as well as highly organised tissues of multiple cell types, is presented. (authors)

Semi-empirical corrosion model for Zircaloy-4 cladding

International Nuclear Information System (INIS)

Nadeem Elahi, Waseem; Atif Rana, Muhammad

2015-01-01

The Zircaloy-4 cladding tube in Pressurize Water Reactors (PWRs) bears corrosion due to fast neutron flux, coolant temperature, and water chemistry. The thickness of Zircaloy-4 cladding tube may be decreased due to the increase in corrosion penetration which may affect the integrity of the fuel rod. The tin content and inter-metallic particles sizes has been found significantly in the magnitude of oxide thickness. In present study we have developed a Semiempirical corrosion model by modifying the Arrhenius equation for corrosion as a function of acceleration factor for tin content and accumulative annealing. This developed model has been incorporated into fuel performance computer code. The cladding oxide thickness data obtained from the Semi-empirical corrosion model has been compared with the experimental results i.e., numerous cases of measured cladding oxide thickness from UO 2 fuel rods, irradiated in various PWRs. The results of the both studies lie within the error band of 20μm, which confirms the validity of the developed Semi-empirical corrosion model. Key words: Corrosion, Zircaloy-4, tin content, accumulative annealing factor, Semi-empirical, PWR. (author)

Double-arm time-of-flight mass-spectrometer of nuclear fragments

International Nuclear Information System (INIS)

Ajvazian, G.M.; Astabatyan, R.A.

1995-01-01

A double-arm time-of-flight spectrometer of nuclear fragments for the investigation of heavy nuclei photofission in the intermediate energy range is described. The calibration results and working characteristics of the spectrometer, obtained using 252 Cf as a source of spontaneous fission, are presented. A mass resolution of σ m ∼2-3 a.m.u. was obtained within the registered fragments mass range of 80-160 a.m.u. The spectrometer was tested in the experiment on the investigation of 238 U nuclei fission by Bremsstahlung photons with Eγ max=1.75 GeV

Semiempirical formulas for single-particle energies of neutrons and protons

International Nuclear Information System (INIS)

Lodhi, M.A.K.; Waak, B.T.

1978-01-01

The stepwise multiple linear regression technique has been used to analyze the single-particle energies of neutrons and protons in nuclei along the line of beta stability. Their regular and systematic trends lead to semiempirical model-independent formulas for single-particle energies of neutrons and protons in the bound nuclei as functions of nuclear parameters A and Z for given states specified by nl/sub j/. These formulas are almost as convenient as the harmonic oscillator energy formulas to use. The single-particle energies computed from these formulas have been compared with the experimental data and are found in reasonable agreement

Complex nuclear-structure phenomena revealed from the nuclide production in fragmentation reactions

International Nuclear Information System (INIS)

Ricciardi, M.V.; Kelic, A.; Napolitani, P.; Schmidt, K.H.; Yordanov, O.; Ignatyuk, A.V.; Rejmund, F.

2003-12-01

Complex structural effects in the nuclide production from the projectile fragmentation of 1 A GeV 238 U nuclei in a titanium target are reported. The structure seems to be insensitive to the excitation energy induced in the reaction. This is in contrast to the prominent structural features found in nuclear fission and in transfer reactions, which gradually disappear with increasing excitation energy. Using the statistical model of nuclear reactions, relations to structural effects in nuclear binding and in the nuclear level density are demonstrated. (orig.)

Production of photofission fragments and study of their nuclear structure by laser spectroscopy

International Nuclear Information System (INIS)

Gangrskij, Yu.P.; Zemlyanoj, S.G.; Karaivanov, D.V.; Marinova, K.P.; Markov, B.N.; Mel'nikova, L.M.; Myshinskij, G.V.; Penionzhkevich, Yu.Eh.; Zhemenik, V.I.

2005-01-01

The prospective nuclear structure investigations of the fission fragments by resonance laser spectroscopy methods are discussed. Research in this field is currently being carried out as part of the DRIBs project, which is under development at the Laboratory of Nuclear Reactions, JINR. The fission fragments under study are mainly very neutron-rich nuclei near the proton (Z=50) and neutron (N=50 and 82) closed shells, nuclei in the region of strong deformation (N>60 and N>90) and nuclei with high-spin isomeric states. Resonance laser spectroscopy is used successfully in the study of the structure of such nuclei. It allows one to determine a number of nuclear parameters (mean-square charge radius, magnetic dipole and electric quadrupole moments) and to make conclusions about the collective and single particle properties of the nuclei

Predicting acid dew point with a semi-empirical model

International Nuclear Information System (INIS)

Xiang, Baixiang; Tang, Bin; Wu, Yuxin; Yang, Hairui; Zhang, Man; Lu, Junfu

2016-01-01

Highlights: • The previous semi-empirical models are systematically studied. • An improved thermodynamic correlation is derived. • A semi-empirical prediction model is proposed. • The proposed semi-empirical model is validated. - Abstract: Decreasing the temperature of exhaust flue gas in boilers is one of the most effective ways to further improve the thermal efficiency, electrostatic precipitator efficiency and to decrease the water consumption of desulfurization tower, while, when this temperature is below the acid dew point, the fouling and corrosion will occur on the heating surfaces in the second pass of boilers. So, the knowledge on accurately predicting the acid dew point is essential. By investigating the previous models on acid dew point prediction, an improved thermodynamic correlation formula between the acid dew point and its influencing factors is derived first. And then, a semi-empirical prediction model is proposed, which is validated with the data both in field test and experiment, and comparing with the previous models.

Experimental investigation on the causes for pellet fragmentation under LOCA conditions

International Nuclear Information System (INIS)

Bianco, Andrea

2015-01-01

An experimental investigation was conducted in hot cells on single fuel rod segments to appraise the behavior of fuel pellets fragmentation during a loss of coolant accident in a light water reactor. In pursuing the conceptual design of the experiment, calculations were performed to study the thermal-hydraulics boundary conditions and the fuel rod behavior during the transient. The experiment's results encompass non-destructive and destructive examinations. In order to describe the resulting fuel fragments size distribution, a semi-empirical correlation was derived from the fractal theory.

Dose equivalent near the bone-soft tissue interface from nuclear fragments produced by high-energy protons

Science.gov (United States)

Shavers, M. R.; Poston, J. W.; Cucinotta, F. A.; Wilson, J. W.

1996-01-01

During manned space missions, high-energy nucleons of cosmic and solar origin collide with atomic nuclei of the human body and produce a broad linear energy transfer spectrum of secondary particles, called target fragments. These nuclear fragments are often more biologically harmful than the direct ionization of the incident nucleon. That these secondary particles increase tissue absorbed dose in regions adjacent to the bone-soft tissue interface was demonstrated in a previous publication. To assess radiological risks to tissue near the bone-soft tissue interface, a computer transport model for nuclear fragments produced by high energy nucleons was used in this study to calculate integral linear energy transfer spectra and dose equivalents resulting from nuclear collisions of 1-GeV protons transversing bone and red bone marrow. In terms of dose equivalent averaged over trabecular bone marrow, target fragments emitted from interactions in both tissues are predicted to be at least as important as the direct ionization of the primary protons-twice as important, if recently recommended radiation weighting factors and "worst-case" geometry are used. The use of conventional dosimetry (absorbed dose weighted by aa linear energy transfer-dependent quality factor) as an appropriate framework for predicting risk from low fluences of high-linear energy transfer target fragments is discussed.

Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronics.

Science.gov (United States)

Dral, Pavlo O; Clark, Timothy

2011-10-20

Unrestricted Natural Orbital-Complete Active Space Configuration Interaction, abbreviated as UNO-CAS, has been implemented for NDDO-based semiempirical molecular-orbital (MO) theory. A computationally more economic technique, UNO-CIS, in which we use a configuration interaction (CI) calculation with only single excitations (CIS) to calculate excited states, has also been implemented and tested. The class of techniques in which unrestricted natural orbitals (UNOs) are used as the reference for CI calculations is denoted UNO-CI. Semiempirical UNO-CI gives good results for the optical band gaps of organic semiconductors such as polyynes and polyacenes, which are promising materials for nanoelectronics. The results of these semiempirical UNO-CI techniques are generally in better agreement with experiment than those obtained with the corresponding conventional semiempirical CI methods and comparable to or better than those obtained with far more computationally expensive methods such as time-dependent density-functional theory. We also show that symmetry breaking in semiempirical UHF calculations is very useful for predicting the diradical character of organic compounds in the singlet spin state.

Fragmentation cross section measurements of iron projectiles using CR-39 plastic nuclear track detectors

CERN Document Server

Flesch, F; Huentrup, G; Roecher, H; Streibel, T; Winkel, E; Heinrich, W

1999-01-01

For long term space missions in which larger radiation doses are accumulated it is necessary to improve the precision of models predicting the space radiation environment. Different models are available to determine the flux of cosmic ray heavy ions behind shielding material. The accuracy of these predictions depends on the knowledge of the fragmentation cross sections, especially at energies of several hundred MeV/nucleon, where the particle flux is at a maximum and especially for those particles with high LET, i.e. iron nuclei. We have measured fragmentation cross sections of sup 5 sup 6 Fe projectiles at beam energies of 700 and 1700 A MeV using experimental set-ups with plastic nuclear track detectors. In this paper we describe the experimental technique to study the fragmentation reactions of sup 5 sup 6 Fe projectiles using CR-39 plastic nuclear track detectors. Results for different targets are presented.

High energy nuclear collisions in the few GeV/nucleon region: projectile and target fragmentation

International Nuclear Information System (INIS)

Schroeder, L.S.

1980-06-01

A general review of nucleon-nucleus and nucleus-nucleus collisions for incident energies <10 GeV/nucleon is presented. The division of these interactions into peripheral and central collisions is briefly discussed. Subjects treated include the following: target and projectile fragmentation systematics, production of exotic nuclear fragments, studies of multiparticle final states, total cross section measurements, results from an experiment that indicate the production of projectile fragments with an anomalously short reaction mean free path, high-energy particle production at backward angles beyond simple N-N kinematic limits, and recent results on backward particle emission in studies with the Berkeley streamer chamber. Both the particle and nuclear physics aspects that are present are considered. A brief discussion of future trends in this energy range ends the presentation. 65 references, 37 figures

Plasma wake and nuclear forces on fragmented H{sub {sup +}} transport

Energy Technology Data Exchange (ETDEWEB)

Barriga-Carrasco, Manuel D [E.T.S.I. Industriales, Universidad de Castilla-La Mancha, E-13071 Ciudad Real (Spain); Deutsch, Claude [Laboratoire de Physique des Gaz et des Plasmas, UMR-8578, Bat. 210, Universite Paris XI, F-91405 Orsay (France)

2006-12-15

The objective of the present work is to study the target electronic and nuclear interactions produced when a H{sub {sup +}} ion traverses classical plasma matter. Electronic interactions are treated by means of the dielectric formalism while nuclear interactions are dealt within the classical dispersion theory through a Monte Carlo computer code. The interactions through plasma electronic medium among close ions are called wake forces. We checked that these forces screen the Coulomb explosions of the two fragmented protons from the same H{sub {sup +}} ion decreasing their relative distance in the analysed cases. These forces align the interproton vector along the motion direction. They also tend the two-proton energy loss to the value of two isolated protons when at early times it is rather larger. Nevertheless most parts of these wake effects cannot be corroborated experimentally as they are masked by the projectile collisions with target nuclei in our numerical experiment. These collisions cancel the screening produced by the wake forces, increasing the interproton distance even faster than for bare Coulomb explosion. Also they misalign the interproton vector along the motion direction and contribute moderately to increase the energy loss of the fragmented H{sub {sup +}} ion. These nuclear collisions effects are more significant in reducing projectile velocity.

Ability of Accelerator-Driven Systems (ADS) to Transmute Long Lived Fission Fragments

International Nuclear Information System (INIS)

Nguyen Mong Giao; Nguyen Thi Ai Thu; Tu Thanh Danh; Tran Thanh Dung; Huynh, Thi Kim Chi

2010-12-01

This paper presents the research results of the possibility to transmute the long-lived radioactive isotopes into stable or short-lived, mainly the long-lived fission fragments as 99 Tc, 127 I, 129 I, 181 Ta, 107 Ag, 109 Ag by accelerator-driven systems. We use semi-empirical formulas to establish our calculating code with the support of computer programs. (author)

Fragmentation of relativistic nuclei

International Nuclear Information System (INIS)

Cork, B.

1975-06-01

Nuclei with energies of several GeV/n interact with hadrons and produce fragments that encompass the fields of nuclear physics, meson physics, and particle physics. Experimental results are now available to explore problems in nuclear physics such as the validity of the shell model to explain the momentum distribution of fragments, the contribution of giant dipole resonances to fragment production cross sections, the effective Coulomb barrier, and nuclear temperatures. A new approach to meson physics is possible by exploring the nucleon charge-exchange process. Particle physics problems are explored by measuring the energy and target dependence of isotope production cross sections, thus determining if limiting fragmentation and target factorization are valid, and measuring total cross sections to determine if the factorization relation, sigma/sub AB/ 2 = sigma/sub AA/ . sigma/sub BB/, is violated. Also, new experiments have been done to measure the angular distribution of fragments that could be explained as nuclear shock waves, and to explore for ultradense matter produced by very heavy ions incident on heavy atoms. (12 figures, 2 tables)

Estimating the octanol/water partition coefficient for aliphatic organic compounds using semi-empirical electrotopological index.

Science.gov (United States)

Souza, Erica Silva; Zaramello, Laize; Kuhnen, Carlos Alberto; Junkes, Berenice da Silva; Yunes, Rosendo Augusto; Heinzen, Vilma Edite Fonseca

2011-01-01

A new possibility for estimating the octanol/water coefficient (log P) was investigated using only one descriptor, the semi-empirical electrotopological index (I(SET)). The predictability of four octanol/water partition coefficient (log P) calculation models was compared using a set of 131 aliphatic organic compounds from five different classes. Log P values were calculated employing atomic-contribution methods, as in the Ghose/Crippen approach and its later refinement, AlogP; using fragmental methods through the ClogP method; and employing an approach considering the whole molecule using topological indices with the MlogP method. The efficiency and the applicability of the I(SET) in terms of calculating log P were demonstrated through good statistical quality (r > 0.99; s < 0.18), high internal stability and good predictive ability for an external group of compounds in the same order as the widely used models based on the fragmental method, ClogP, and the atomic contribution method, AlogP, which are among the most used methods of predicting log P.

Spallation reaction study for fission products in nuclear waste: Cross section measurements for 137Cs, 90Sr and 107Pd on proton and deuteron

Directory of Open Access Journals (Sweden)

Wang He

2017-01-01

Full Text Available Spallation reactions for the long-lived fission products 137Cs, 90Sr and 107Pd have been studied for the purpose of nuclear waste transmutation. The cross sections on the proton- and deuteron-induced spallation were obtained in inverse kinematics at the RIKEN Radioactive Isotope Beam Factory. Both the target and energy dependences of cross sections have been investigated systematically. and the cross-section differences between the proton and deuteron are found to be larger for lighter fragments. The experimental data are compared with the SPACS semi-empirical parameterization and the PHITS calculations including both the intra-nuclear cascade and evaporation processes.

Energy partition in nuclear fission

International Nuclear Information System (INIS)

Ruben, A.; Maerten, H.; Seeliger, D.

1990-01-01

A scission point model (two spheroid model TSM) including semi-empirical temperature-dependent shell correction energies for deformed fragments at scission is presented. It has been used to describe the mass-asymmetry-dependent partition of the total energy release on both fragments from spontaneous and induced fission. Characteristic trends of experimental fragment energy and neutron multiplicity data as function of incidence energy in the Th-Cf region of fissioning nuclei are well reproduced. Based on model applications, information on the energy dissipated during the descent from second saddle of fission barrier to scission point have been deduced. (author). 39 refs, 13 figs

Nucleic acid reactivity : challenges for next-generation semiempirical quantum models

OpenAIRE

Huang, Ming; Giese, Timothy J.; York, Darrin M.

2015-01-01

Semiempirical quantum models are routinely used to study mechanisms of RNA catalysis and phosphoryl transfer reactions using combined quantum mechanical/molecular mechanical methods. Herein, we provide a broad assessment of the performance of existing semiempirical quantum models to describe nucleic acid structure and reactivity in order to quantify their limitations and guide the development of next-generation quantum models with improved accuracy. Neglect of diatomic diffierential overlap (...

Nucleic acid reactivity: challenges for next-generation semiempirical quantum models.

Science.gov (United States)

Huang, Ming; Giese, Timothy J; York, Darrin M

2015-07-05

Semiempirical quantum models are routinely used to study mechanisms of RNA catalysis and phosphoryl transfer reactions using combined quantum mechanical (QM)/molecular mechanical methods. Herein, we provide a broad assessment of the performance of existing semiempirical quantum models to describe nucleic acid structure and reactivity to quantify their limitations and guide the development of next-generation quantum models with improved accuracy. Neglect of diatomic differential overlap and self-consistent density-functional tight-binding semiempirical models are evaluated against high-level QM benchmark calculations for seven biologically important datasets. The datasets include: proton affinities, polarizabilities, nucleobase dimer interactions, dimethyl phosphate anion, nucleoside sugar and glycosidic torsion conformations, and RNA phosphoryl transfer model reactions. As an additional baseline, comparisons are made with several commonly used density-functional models, including M062X and B3LYP (in some cases with dispersion corrections). The results show that, among the semiempirical models examined, the AM1/d-PhoT model is the most robust at predicting proton affinities. AM1/d-PhoT and DFTB3-3ob/OPhyd reproduce the MP2 potential energy surfaces of 6 associative RNA phosphoryl transfer model reactions reasonably well. Further, a recently developed linear-scaling "modified divide-and-conquer" model exhibits the most accurate results for binding energies of both hydrogen bonded and stacked nucleobase dimers. The semiempirical models considered here are shown to underestimate the isotropic polarizabilities of neutral molecules by approximately 30%. The semiempirical models also fail to adequately describe torsion profiles for the dimethyl phosphate anion, the nucleoside sugar ring puckers, and the rotations about the nucleoside glycosidic bond. The modeling of pentavalent phosphorus, particularly with thio substitutions often used experimentally as mechanistic

Comparative study of BxNyCz nanojunctions fragments

International Nuclear Information System (INIS)

Batista, Fabiana Aparecida de Souza; Manzanares, Raquel Dastre; Carvalho, Ana Claudia Monteiro; Reis Junior, Magno dos; Custodio, Rogerio

2011-01-01

Theoretical analysis of formation energy and geometry was done to compare the relative stabilities of modified carbon nanostructures representative fragments. Structure and energies of formation were calculated at semiempirical level of theory. Depending of B-N pair localization on the molecular structures the formation enthalpy decreases. B-N substitution in tubular structures at low concentration decreases the energy when the tubes have small diameters. Our results are in according to experimental works which have shown that boron and nitrogen are met at region of defects in B X C Y N Z nanostructures. (author)

Nuclear energy release from fragmentation

Energy Technology Data Exchange (ETDEWEB)

Li, Cheng [The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Souza, S.R. [Instituto de Física, Universidade Federal do Rio de Janeiro Cidade Universitária, Caixa Postal 68528, 21945-970 Rio de Janeiro (Brazil); Tsang, M.B. [The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); National Superconducting Cyclotron Laboratory and Physics and Astronomy Department, Michigan State University, East Lansing, MI 48824 (United States); Zhang, Feng-Shou, E-mail: fszhang@bnu.edu.cn [The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China); Beijing Radiation Center, Beijing 100875 (China); Center of Theoretical Nuclear Physics, National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou 730000 (China)

2016-08-15

It is well known that binary fission occurs with positive energy gain. In this article we examine the energetics of splitting uranium and thorium isotopes into various numbers of fragments (from two to eight) with nearly equal size. We find that the energy released by splitting {sup 230,232}Th and {sup 235,238}U into three equal size fragments is largest. The statistical multifragmentation model (SMM) is applied to calculate the probability of different breakup channels for excited nuclei. By weighing the probability distributions of fragment multiplicity at different excitation energies, we find the peaks of energy release for {sup 230,232}Th and {sup 235,238}U are around 0.7–0.75 MeV/u at excitation energy between 1.2 and 2 MeV/u in the primary breakup process. Taking into account the secondary de-excitation processes of primary fragments with the GEMINI code, these energy peaks fall to about 0.45 MeV/u.

Nuclear Fragmentation Induced by Relativistic Projectiles Studied in the 4$\\pi$ Configuration of Plastic Track Detectors

CERN Multimedia

2002-01-01

% EMU19 \\\\ \\\\ The collisions of heavy ions at relativistic energies have been studied to explore a number of questions related with hot and dense nuclear matter in order to extend our knowledge of nuclear equation-of-state. There are other aspects of these interactions which are studied to expound the process of projectile and/or target disintegrations. The disintegrations in question could be simply binary fissions or more complex processes leading to spallation or complete fragmentation. These important aspects of nuclear reactions are prone to investigations with nuclear track detectors. \\\\ \\\\One of the comparatively new track detector materials, CR-39, is sensitive enough to record particles of Z~$\\geq$~6 with almost 100\\% efficiency up to highly relativistic energies. The wide angle acceptance and exclusive measurements possible with plastic track detectors offer an opportunity to use them in a variety of situations in which high energy charged fragments are produced. The off-line nature of measuring tra...

Verification of supersonic and hypersonic semi-empirical predictions using CFD

International Nuclear Information System (INIS)

McIlwain, S.; Khalid, M.

2004-01-01

CFD was used to verify the accuracy of the axial force, normal force, and pitching moment predictions of two semi-empirical codes. This analysis considered the flow around the forebody of four different aerodynamic shapes. These included geometries with equal-volume straight or tapered bodies, with either standard or double-angle nose cones. The flow was tested at freestream Mach numbers of M = 1.5, 4.0, and 7.0. The CFD results gave the expected flow pressure contours for each geometry. The geometries with straight bodies produced larger axial forces, smaller normal forces, and larger pitching moments compared to the geometries with tapered bodies. The double-angle nose cones introduced a shock into the flow, but affected the straight-body geometries more than the tapered-body geometries. Both semi-empirical codes predicted axial forces that were consistent with the CFD data. The agreement between the normal forces and pitching moments was not as good, particularly for the straight-body geometries. But even though the semi-empirical results were not exactly the same as the CFD data, the semi-empirical codes provided rough estimates of the aerodynamic parameters in a fraction of the time required to perform a CFD analysis. (author)

GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations.

Science.gov (United States)

Maia, Julio Daniel Carvalho; Urquiza Carvalho, Gabriel Aires; Mangueira, Carlos Peixoto; Santana, Sidney Ramos; Cabral, Lucidio Anjos Formiga; Rocha, Gerd B

2012-09-11

In this study, we present some modifications in the semiempirical quantum chemistry MOPAC2009 code that accelerate single-point energy calculations (1SCF) of medium-size (up to 2500 atoms) molecular systems using GPU coprocessors and multithreaded shared-memory CPUs. Our modifications consisted of using a combination of highly optimized linear algebra libraries for both CPU (LAPACK and BLAS from Intel MKL) and GPU (MAGMA and CUBLAS) to hasten time-consuming parts of MOPAC such as the pseudodiagonalization, full diagonalization, and density matrix assembling. We have shown that it is possible to obtain large speedups just by using CPU serial linear algebra libraries in the MOPAC code. As a special case, we show a speedup of up to 14 times for a methanol simulation box containing 2400 atoms and 4800 basis functions, with even greater gains in performance when using multithreaded CPUs (2.1 times in relation to the single-threaded CPU code using linear algebra libraries) and GPUs (3.8 times). This degree of acceleration opens new perspectives for modeling larger structures which appear in inorganic chemistry (such as zeolites and MOFs), biochemistry (such as polysaccharides, small proteins, and DNA fragments), and materials science (such as nanotubes and fullerenes). In addition, we believe that this parallel (GPU-GPU) MOPAC code will make it feasible to use semiempirical methods in lengthy molecular simulations using both hybrid QM/MM and QM/QM potentials.

Energy production using fission fragment rockets

International Nuclear Information System (INIS)

Chapline, G.; Matsuda, Y.

1991-08-01

Fission fragment rockets are nuclear reactors with a core consisting of thin fibers in a vacuum, and which use magnetic fields to extract the fission fragments from the reactor core. As an alternative to ordinary nuclear reactors, fission fragment rockets would have the following advantages: Approximately twice as efficient if one can directly convert the fission fragment energy into electricity; by reducing the buildup of a fission fragment inventory in the reactor one could avoid a Chernobyl type disaster; and collecting the fission fragments outside the reactor could simplify the waste disposal problem. 6 refs., 4 figs., 2 tabs

Memory effects in nuclear fragmentation?

International Nuclear Information System (INIS)

Colonna, M.; Di Toro, M.; Guarnera, A.

1994-01-01

A general procedure to identify instability regions which lead to multifragmentation events is presented. The dominant mode at the instability point is determined from the knowledge of the mean properties (density and temperature) of the system at that point. For spinodal instabilities the dependence of fragment structures on the dynamical conditions is studied changing the beam energy and the considered equation of state. An important competition between two dynamical effects, expansion of the system and growth of fluctuations, is revealed. It is shown that in heavy-ion central collisions at medium energies memory effects of the configuration formed at the instability time could be observed in the final fragmentation pattern. Some hints towards a fully dynamical picture of fragmentation processes are finally suggested. ((orig.))

Nuclear fission fragment excitation of electronic transition laser media

International Nuclear Information System (INIS)

Lorents, D.C.; McCusker, M.V.; Rhodes, C.K.

1976-01-01

The properties of high energy electronic transition lasers excited by fission fragments are expanded. Specific characteristics of the media including density, excitation rates, wavelength, kinetics, fissile material, scale size, and medium uniformity are assessed. The use of epithermal neutrons, homogeneously mixed fissile material, and special high cross section nuclear isotopes to optimize coupling of the energy to the medium are shown to be important considerations maximizing the scale size, energy deposition, and medium uniformity. A performance limit point of approximately 1000 J/l in approximately 100 μs pulses is established for a large class of systems operating in the near ultraviolet and visible spectral regions. It is demonstrated that e-beam excitation can be used to simulate nuclear pumping conditions to facilitate the search for candidate media. Experimental data for the kinetics of a XeF* laser operating in Ar/Xe/F 2 /UF 6 mixtures are given. These reactor-pumped systems are suitable for scaling to volumes on the order of (meters) 3

Elaboration of a model of the nuclear fragmentation and application to the method of isotopic separation of projectile fragments

International Nuclear Information System (INIS)

Gaimard, J.J.

1990-10-01

In this thesis the experimental results on the cross sections for the production of 36 P in the fragmentation of 403 MeV/u 40 Ar on a carbon target are presented. Furthermore some models of the nuclear fragmentation are elaborated and compared by means of experimental data for the production of gold and cerium isotopes in the reaction 12 C+ 209 Bi at 400 MeV/u, of chlorine, sulfur, aluminium, magnesium, and oxygen isotopes in the reactions 40 Ar+ 12 C at 600 MeV/u and 48 Ca+ 9 Be at 212 MeV/u, and of cobalt, manganese, vanadium, and scandium isotopes together with the charge distributions for A=43 and A=44 in the reactions 40 Ar+ 64 Cu at 2 GeV/u and 56 Fe+ 12 C at 600 MeV/u. (HSI)

Calculation of bulk etch rate’s semi-empirical equation for polymer track membranes in stationary and dynamic modes

Directory of Open Access Journals (Sweden)

A. Mashentseva

2013-05-01

Full Text Available One of the most urgent and extremely social problems in environmental safeties area in Kazakhstan is providing the population of all regions of the country with quality drinking water. Development of filter elements based on nuclear track-etch membranes may be considered as one of best solutions this problem. The values of bulk etch rate and activation energy were calculated in view the effect of temperature, alkaline solution concentration as well as stirring effect. The semi-empirical equation of the bulk etch rate for PET track membranes was calculated. As a result of theoretical and experimental studies a semi-empirical equation of the bulk etch rate VB=3.4∙1012∙C2.07∙exp(-0.825/kT for 12 microns PET film, irradiated by ions 84Kr15+ (energy of 1.75 MeV/nucleon at the heavy ion accelerator DC-60 in Astana branch of the INP NNC RK, was obtained. 

Shell effects at the touching point of nuclear fragments

International Nuclear Information System (INIS)

Poenaru, D.N.; Gherghescu, R.A.; Greiner, W.

1999-01-01

Shell correction energy of the fission fragments remains practically unchanged when the separation distance increases from the sum of their radii up to infinity. The variation with mass asymmetry of the total deformation energy at the touching point configuration shows the valleys corresponding to different decay modes, which are produced when the two proton and/or the two neutron numbers are magic or almost magic. We present a potential energy surface of the proton-rich α-emitter 106 Te, showing the α-decay valley, obtained with a phenomenological shell correction. We discuss the difficulties to produce such a valley on a potential energy surface of 236 Pu, calculated with the macroscopic-microscopic method, in which the nuclear level scheme is found within the two center shell model. The valleys mainly due to the double magic nuclei 100,132 Sn, 208 Pb, and other magic numbers, are illustrated by plotting the deformation energy at the touching point versus the proton number of the fragment, for the following parent nuclei: 106 Te, 116 Ce, 212 Po, 238 Th, 258 Fm and 264 Fm. For ternary fission the gain in energy of compact configurations as compared to aligned ones is analysed. (authors)

The semi-empirical low-level background statistics

International Nuclear Information System (INIS)

Tran Manh Toan; Nguyen Trieu Tu

1992-01-01

A semi-empirical low-level background statistics was proposed. The one can be applied to evaluated the sensitivity of low background systems, and to analyse the statistical error, the 'Rejection' and 'Accordance' criteria for processing of low-level experimental data. (author). 5 refs, 1 figs

Crystallization and preliminary X-ray crystallographic studies of transportin 1 in complex with nucleocytoplasmic shuttling and nuclear localization fragments

International Nuclear Information System (INIS)

Imasaki, Tsuyoshi; Shimizu, Toshiyuki; Hashimoto, Hiroshi; Hidaka, Yuji; Yamada, Michiyuki; Sato, Mamoru

2006-01-01

Transportin 1 was cocrystallized with nucleocytoplasmic shuttling fragments of JKTBP and hnRNP D and a nuclear localization fragment of TAP. X-ray diffraction data were collected using synchrotron radiation at SPring-8. Nucleocytoplasmic transport of proteins with molar masses of larger than 60 000 is mediated by transport receptors. The transport receptor transportin1 (Trn1) transports various kinds of RNA-binding proteins such as JKTBP, hnRNP D and TAP. Trn1 was successfully cocrystallized with nucleocytoplasmic shuttling fragments of JKTBP and hnRNP D and a nuclear localization fragment of TAP. The crystal of the Trn1–JKTBP fragment complex belongs to space group P2 1 2 1 2, with unit-cell parameters a = 131.5, b =171.5, c = 68.2 Å. The crystals of Trn1 in complex with hnRNP D and TAP fragments are orthorhombic, space group P2 1 2 1 2 1 , with unit-cell parameters a = 69.1, b = 119.1, c = 151.1 Å and a = 69.0, b = 119.1, c = 146.0 Å, respectively. The crystals diffracted to beyond 3.0, 3.2 and 2.4 Å resolution, respectively, using synchrotron radiation at SPring-8

Characterization of nanotransistors in a semiempirical model

Czech Academy of Sciences Publication Activity Database

Wulf, U.; Kučera, Jan; Richter, H.; Wiatr, M.; Höntschel, J.

2016-01-01

Roč. 613, Aug (2016), s. 6-10 ISSN 0040-6090 Institutional support: RVO:68378271 Keywords : nano-field effect transistor * quantum transport * semiempirical model * quantitative model * compact model * contact-channel coupling * screening propertie Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.879, year: 2016

Non-extensive statistical aspects of clustering and nuclear multi-fragmentation

International Nuclear Information System (INIS)

Calboreanu, A.

2002-01-01

Recent developments concerning an application of the non-extensive Tsalis statistics to describe clustering phenomena is briefly presented. Cluster formation is a common feature of a large number of physical phenomena encountered in molecular and nuclear physics, astrophysics, condensed matter and biophysics. Common to all these is the large number of degrees of freedom, thus justifying a statistical approach. However the conventional statistical mechanics paradigm seems to fail in dealing with clustering. Whether this is due to the prevalence of complex dynamical constrains, or it is a manifestation of new statistics is a subject of considerable interest, which was intensively debated during the last few years. Tsalis conjecture has proved extremely appealing due to its rather elegant and transparent basic arguments. We present here evidence for its adequacy for the study of a large class of physical phenomena related to cluster formation. An application to nuclear multi-fragmentation is presented. (author)

Percolation and nucleation approaches to nuclear fragmentation: criticality in very small systems

Energy Technology Data Exchange (ETDEWEB)

Santiago, A.J. [Universidade do Estado, Rio de Janeiro, RJ (Brazil). Inst. de Fisica; Chung, K.C.

1994-12-01

Different criteria for criticality in very small systems are discussed in the context of percolation and nucleation approaches to nuclear fragmentation. It is shown that the probability threshold in percolation and interaction radius threshold in nucleation are very strongly dependent upon the adopted criterion. By using Monte Carlo method, similarities and dissimilarities between nucleation and percolation pictures are also pointed out. (author). 17 refs, 5 figs, 2 tabs.

Percolation and nucleation approaches to nuclear fragmentation: criticality in very small systems

International Nuclear Information System (INIS)

Santiago, A.J.; Chung, K.C.

1994-12-01

Different criteria for criticality in very small systems are discussed in the context of percolation and nucleation approaches to nuclear fragmentation. It is shown that the probability threshold in percolation and interaction radius threshold in nucleation are very strongly dependent upon the adopted criterion. By using Monte Carlo method, similarities and dissimilarities between nucleation and percolation pictures are also pointed out. (author). 17 refs, 5 figs, 2 tabs

Fission fragment charge and mass distributions in 239Pu(n ,f ) in the adiabatic nuclear energy density functional theory

Science.gov (United States)

Regnier, D.; Dubray, N.; Schunck, N.; Verrière, M.

2016-05-01

Background: Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data are available, together with the variety of potential applications, is an incentive to develop a fully microscopic approach to fission dynamics. Purpose: In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear density functional theory (DFT). Methods: Our theoretical framework is the nuclear energy density functional (EDF) method, where large-amplitude collective motion is treated adiabatically by using the time-dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). In practice, the TDGCM is implemented in two steps. First, a series of constrained EDF calculations map the configuration and potential-energy landscape of the fissioning system for a small set of collective variables (in this work, the axial quadrupole and octupole moments of the nucleus). Then, nuclear dynamics is modeled by propagating a collective wave packet on the potential-energy surface. Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. Results: We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within two mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Conclusions: Our analysis confirms

Percolation versus microcanonical fragmentation - comparison of fragment size distribution: Where is the liquid-gas transition in nuclei?

International Nuclear Information System (INIS)

Jaqaman, H.R.; Birzeit Univ.; Papp, G.; Eoetvoes Lorand Tudomanyegyetem, Budapest; Gross, D.H.E.; Freie Univ. Berlin

1990-01-01

The distributions of fragments produced by microcanonical multifragmentation of hot nuclei are compared with the cluster distributions predicted by a bond percolation model on a finite lattice. The conditional moments of these distributions are used together with the correlations between the largest three fragments in each event. Whereas percolation and statistical nuclear fragmentation agree in many details as in the usual plots of the averaged moments of the fragment distributions which yield the critical exponents, they turn out to be essentially different when less averaged quantities or correlations are considered. The differences between the predictions of the two models are mainly due to the particularities of the nuclear problem, especially the effect of the long-range Coulomb force which favours the break-up of the highly excited nucleus into two large fragments (pseudo-fission) and, to a somewhat lesser extent, enhances the possibility for the cracking of the nucleus into more than two large fragments. The fission events are, however, clearly separated from a second branch of critical correlations which shows up clearly in both nuclear fragmentation and percolation. We think that this critical correlation branch is due to the liquid-gas phase transition in finite nuclei. (orig.)

Characterization of nanotransistors in a semiempirical model

Energy Technology Data Exchange (ETDEWEB)

Wulf, U., E-mail: ulrich.wulf@b-tu.de [Brandenburg Technical University, POB 101344, 03013 Cottbus (Germany); Kučera, J. [Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovanická 10, 162 53, Praha 6 (Czech Republic); Richter, H. [Brandenburg Technical University, POB 101344, 03013 Cottbus (Germany); GFWW, Im Technologiepark 1, 15236 Frankfurt (Oder) (Germany); Wiatr, M.; Höntschel, J. [GLOBALFOUNDRIES Dresden, Wilschdorfer Landstraße 101, 01109 Dresden (Germany)

2016-08-31

In a series of recent papers we have established a semiempirical model for quantum transport in a nanotransistor. Here we apply this model to characterize four industrial transistors with gate lengths ranging between 22 nm and 30 nm finding excellent quantitative agreement between theory and experiment. Adjusting our semiempirical model to the experimental output traces, three calibration parameters are found: First, the height of the source–drain barrier, second, the device temperature, and, third, the overlap parameter. The overlap parameter describes the wave function overlap between the source/drain contact and the conduction channel. With the aid of the calibration parameters the considered devices can be classified in three groups: A first group (G1) with good contact-channel coupling and a high saturation current, a second group (G2) with intermediate values and a third group (G3) with poor contact-channel coupling and a small saturation current. We calculate the gate capacitance of the transistors: At threshold voltage a peak of the gate capacitance is observed which is associated with a jump in the overlap parameter. This finding is most pronounced in G1, weaker in G2 and absent in G3. We attribute it to favorable screening conditions in G1 leading to a smooth transition between the contacts and the conduction channel. Our results indicate that this screening effect is favored by an efficient release of the Ohmic heat. - Highlights: • Semiempirical model for nano-scale field effect transistors • Quantitative description of seven experimental I-V-traces • Contact-channel coupling in transistor and peak in gate capacitance • Screening in the conduction channel of a nanoFET.

Storage ion trap of an 'In-Flight Capture' type for precise mass measurement of radioactive nuclear reaction products and fission fragments

International Nuclear Information System (INIS)

Tarantin, N.I.

2001-01-01

Data on nuclear masses provide a basis for creating and testing various nuclear models. A tandem system of FLNR comprised of the U-400M cyclotron, the COMBAS magnetic separator and the mass-spectrometric ion trap of an 'in-flight capture' type is considered as a possible complex for producing of the short-lived nuclei in fragmentation reactions by heavy ions and for precise mass measurement of these nuclei. The plan of scientific and technical FLNR research includes a project DRIBs for producing beams of accelerated radioactive nuclear reaction products and photofission fragments. This project proposes also precise mass measurements of the fission fragment with the help of the ion trap. The in-flight entrance of the ions and their capture in the mass-spectrometric ion trap using the monochromatizing degrader, the static electric and magnetic fields and a new invention, a magnetic unidirectional transporting ventil, is considered

Nuclear spin content and constraints on exotic spin-dependent couplings

International Nuclear Information System (INIS)

Kimball, D F Jackson

2015-01-01

There are numerous recent and ongoing experiments employing a variety of atomic species to search for couplings of atomic spins to exotic fields. In order to meaningfully compare these experimental results, the coupling of the exotic field to the atomic spin must be interpreted in terms of the coupling to electron, proton, and neutron spins. Traditionally, constraints from atomic experiments on exotic couplings to neutron and proton spins have been derived using the single-particle Schmidt model for nuclear spin. In this model, particular atomic species are sensitive to either neutron or proton spin couplings, but not both. More recently, semi-empirical models employing nuclear magnetic moment data have been used to derive new constraints for non-valence nucleons. However, comparison of such semi-empirical models to detailed large-scale nuclear shell model calculations and analysis of known physical effects in nuclei show that existing semi-empirical models cannot reliably be used to predict the spin polarization of non-valence nucleons. The results of our re-analysis of nuclear spin content are applied to searches for exotic long-range monopole–dipole and dipole–dipole couplings of nuclei leading to significant revisions of some published constraints. (paper)

Study of stochastic approaches of the n-bodies problem: application to the nuclear fragmentation

International Nuclear Information System (INIS)

Guarnera, A.

1996-01-01

In the last decade nuclear physics research has found, with the observation of phenomena such as multifragmentation or vaporization, the possibility to get a deeper insight into the nuclear matter phase diagram. For example, a spinodal decomposition scenario has been proposed to explain the multifragmentation: because of the initial compression, the system may enter a region, the spinodal zone, in which the nuclear matter is no longer stable, and so any fluctuation leads to the formation of fragments. This thesis deals with spinodal decomposition within the theoretical framework of stochastic mean filed approaches, in which the one-body density function may experience a stochastic evolution. We have shown that these approaches are able to describe phenomena, such as first order phase transitions, in which fluctuations and many-body correlations plan an important role. In the framework of stochastic mean-filed approaches we have shown that the fragment production by spinodal decomposition is characterized by typical time scales of the order of 100 fm/c and by typical size scales around the Neon mass. We have also shown that these features are robust and that they are not affected significantly by a possible expansion of the system or by the finite size of nuclei. We have proposed as a signature of the spinodal decomposition some typical partition of the largest fragments. The study and the comparison with experimental data, performed for the reactions Xe + Cu at 45 MeV/A and Xe + Sn at 50 MeV/A, have shown a remarkable agreement. Moreover we would like to stress that the theory does not contain any adjustable parameter. These results seem to give a strong indication of the possibility to observe a spinodal decomposition of nuclei. (author)

Measuring the temperature of hot nuclear fragments

International Nuclear Information System (INIS)

Wuenschel, S.; Bonasera, A.; May, L.W.; Souliotis, G.A.; Tripathi, R.; Galanopoulos, S.; Kohley, Z.; Hagel, K.; Shetty, D.V.; Huseman, K.; Soisson, S.N.; Stein, B.C.; Yennello, S.J.

2010-01-01

A new thermometer based on fragment momentum fluctuations is presented. This thermometer exhibited residual contamination from the collective motion of the fragments along the beam axis. For this reason, the transverse direction has been explored. Additionally, a mass dependence was observed for this thermometer. This mass dependence may be the result of the Fermi momentum of nucleons or the different properties of the fragments (binding energy, spin, etc.) which might be more sensitive to different densities and temperatures of the exploding fragments. We expect some of these aspects to be smaller for protons (and/or neutrons); consequently, the proton transverse momentum fluctuations were used to investigate the temperature dependence of the source.

Nuclear level density

International Nuclear Information System (INIS)

Cardoso Junior, J.L.

1982-10-01

Experimental data show that the number of nuclear states increases rapidly with increasing excitation energy. The properties of highly excited nuclei are important for many nuclear reactions, mainly those that go via processes of the compound nucleus type. In this case, it is sufficient to know the statistical properties of the nuclear levels. First of them is the function of nuclear levels density. Several theoretical models which describe the level density are presented. The statistical mechanics and a quantum mechanics formalisms as well as semi-empirical results are analysed and discussed. (Author) [pt

The size distributions of fragments ejected at a given velocity from impact craters

Science.gov (United States)

O'Keefe, John D.; Ahrens, Thomas J.

1987-01-01

The mass distribution of fragments that are ejected at a given velocity for impact craters is modeled to allow extrapolation of laboratory, field, and numerical results to large scale planetary events. The model is semi-empirical in nature and is derived from: (1) numerical calculations of cratering and the resultant mass versus ejection velocity, (2) observed ejecta blanket particle size distributions, (3) an empirical relationship between maximum ejecta fragment size and crater diameter, (4) measurements and theory of maximum ejecta size versus ejecta velocity, and (5) an assumption on the functional form for the distribution of fragments ejected at a given velocity. This model implies that for planetary impacts into competent rock, the distribution of fragments ejected at a given velocity is broad, e.g., 68 percent of the mass of the ejecta at a given velocity contains fragments having a mass less than 0.1 times a mass of the largest fragment moving at that velocity. The broad distribution suggests that in impact processes, additional comminution of ejecta occurs after the upward initial shock has passed in the process of the ejecta velocity vector rotating from an initially downward orientation. This additional comminution produces the broader size distribution in impact ejecta as compared to that obtained in simple brittle failure experiments.

Assessment of semi-empirical potentials for the U-Si system

Energy Technology Data Exchange (ETDEWEB)

Baskes, Michael I. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); 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 U₃Si₂ and U₃Si₅ compounds, which benefit from high thermal conductivity (metallic) compared to the UO2 fuel (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. Even though Density Functional Theory (DFT) calculations can provide useful answers to a subset of problems, they are computationally too costly for many others, including properties governing microstructure evolution and irradiation effects. For the latter, semi-empirical potentials are typically used. Unfortunately, there is currently no potential for the U-Si system. In this brief report we present initial results from the development of a U-Si semi-empirical potential based on the Modified Embedded Atom Method (MEAM). The potential should reproduce relevant parts of the U-Si phase diagram as well as defect properties important in irradiation environments. This work also serves as an assessment of the general challenges associated with the U-Si system, which will be valuable for the efforts to develop a U-Si Tersoff potential undertaken by Idaho National Laboratory (also part of the ATF HIP). Going forward the main potential development activity will reside at INL and the work presented here is meant to provide input data and guidelines for that activity. The main focus of our work is on the U₃Si₂ and U3Si₅

Non-statistical fluctuations in fragmentation of target nuclei in high energy nuclear interactions

International Nuclear Information System (INIS)

Ghosh, Dipak; Ghosh, Premomoy; Ghosh, Alokananda; Roy, Jaya

1994-01-01

Analysis of target fragmented ''black'' particles in nuclear emulsion from high energy relativistic interactions initiated by 16 O at 2.1 GeV/nucleon and 12 C and 24 Mg at 4.5 GeV/nucleon reveal the existence of non-statistical fluctuations in the azimuthal plane of interaction. The asymmetry or the non-statistical fluctuations, while found to be independent of projectile mass or incident energy, are dependent on the excitation energy of the target nucleus. (Author)

Semiempirical studies of atomic structure. Progress report, 1 July 1980 to 30 June 1982

International Nuclear Information System (INIS)

Curtis, L.J.

1982-01-01

A program of semiempirical studies of the properties of the very heavy and very highly ionized atomic systems which often occur as contaminants in controlled fusion devices is being carried out. The high precision requirements for spectroscopic analysis of these systems can exceed the capabilities of present ab initio theoretical methods, but semiempirical approaches have been found that provide very accurate predictions. Empirical model parametrizations of existing data have revealed unexpected linearities that have been exploited to make extensive predictions along isoelectronic and homologous sequences. These empirical regularities also provide insight into the theoretical approximations that can be applied to these extremely relativistic atomic systems. Experimental measurements of the semiempirical predictions are carried out as part of the program, both to test the methods and to enlarge the data base

A comparative study of semi-empirical interionic potentials for alkali halides - II

International Nuclear Information System (INIS)

Khwaja, F.A.; Naqvi, S.H.

1985-08-01

A comprehensive study of some semi-empirical interionic potentials is carried out through the calculation of the cohesive energy, relative stability and pressure induced solid-solid phase transformations in alkali halides. The theoretical values of these properties of the alkali halides are obtained using a new set of van der Waals coefficients and zero-point energy in the expression for interionic potential. From the comparison of the present calculations with some previous sophisticated ab-initio quantum-mechanical calculations and other semi-empirical approaches, it is concluded that the present calculations in the simplest central pairwise interaction description with the new values of the van der Waals coefficients and zero-point energy are in better agreement with the experimental data than the previous calculations. It is also concluded that in some cases the better choice of the interionic potential alone in the simplest semi-empirical picture of interaction gives an agreement of the theoretical predictions with the experimental data much superior to the ab-initio quantum mechanical approaches. (author)

Non-statistical fluctuations in fragmentation of target nuclei in high energy nuclear interactions

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Dipak; Ghosh, Premomoy; Ghosh, Alokananda; Roy, Jaya [Jadavpur Univ., Calcutta (India)

1994-07-01

Analysis of target fragmented ''black'' particles in nuclear emulsion from high energy relativistic interactions initiated by [sup 16]O at 2.1 GeV/nucleon and [sup 12]C and [sup 24]Mg at 4.5 GeV/nucleon reveal the existence of non-statistical fluctuations in the azimuthal plane of interaction. The asymmetry or the non-statistical fluctuations, while found to be independent of projectile mass or incident energy, are dependent on the excitation energy of the target nucleus. (Author).

A semiempirical approach to a viscously damped oscillating sphere

International Nuclear Information System (INIS)

Alexander, P; Indelicato, E

2005-01-01

A simple model of damped harmonic motion is usually presented in undergraduate physics textbooks and straightforwardly applied for a variety of well-known experiments in student laboratories. Results for the decaying vertical oscillation of a sphere attached to the lower end of a spring in containers with different liquids are analysed here under this standard framework. Some important mismatches between observation and theory are found, which are attributed to oversimplifications in the formulation of the drag force. A more elaborate expression for the latter within a semiempirical approach is then introduced and a more appropriate description of the measurements is shown to be attained. Two coefficients account for experimental corrections, which under certain conditions permit in addition the calculation of specific fluid quantities associated with the oscillating sphere. Rough relations between viscosity and damping factor under appropriate limits are derived. The laboratory experience may also be used to introduce the concept of a semiempirical model and exhibit its utility in physics

Production of nuclear fragments from the interactions of 24 GeV/c protons in a gold target

CERN Document Server

Herz, A J; O'Sullivan, D; Thompson, A

1976-01-01

Lexan polycarbonate track detectors have been used to determine the charge and energy spectra of nuclear fragments with Z>or=6 and with kinetic energies as low as approximately=1.0 MeV/nucleon emitted from a thin gold target bombarded with 24 GeV/c protons. (8 refs).

chi2 analyses of data on relativistic anomalous projectile fragments

International Nuclear Information System (INIS)

MacGregor, M.H.

1983-01-01

Nuclear emulsion data from four experimental groups are now available on the interactions of p relativistic anomalous projectile fragments. In the present paper we systematically combine these data together to form several different data sets, which are used to carry out a series of chi 2 parameter studies. The anomalous particle fragment component in the relativistic nuclear beam has been characterized previously in terms of the parameters f and lambda, where f is the anomalous particle fragment fraction in the secondary beam and lambda is the average anomalous particle fragment mean free path in the emulsion. We extend this result here by setting lambda = lambda 0 (2Z)/sup -beta/, where Z is the nuclear charge of the anomalous particle fragment, so that we can investigate the Z dependence of lambda. We also investigate isotopic effects in the equations used to describe ''normal'' secondary beam nuclei, and we examine the problem of optimizing the bin sizes used to represent the data. A series of (f,lambda 0 ,#betta#) parameter studies leads to the conclusion that the ''anomalous particle fragment effect'' exists for all Z values in the range Z = 3--26 included in the chi 2 analyses. These chi 2 analyses also indicate that #betta#>0, so that the anomalous particle fragment lambda's are Z dependent, but the data are not sufficient to pin down a definite value of #betta#. In order to assess the physical content of these results, we define a domain within which nuclear mean free paths can be accounted for by conventional nuclear forces (but not necessarily by conventional nuclear structure). The Z-dependent anomalous particle fragment mean free paths lie approximately on the boundary of this domain

Semiempirical studies of atomic structure

International Nuclear Information System (INIS)

Curtis, L.J.

1992-01-01

The energy level structure, transition probabilities, and general spectroscopic properties of highly ionized many-electron systems are studied through the combined use of sensitive semiempirical data systematizations, selected precision experimental measurements, and specialized theoretical computations. Measurements are made primarily through the use of fast ion beam excitation methods, which are combined with available data from laser-and tokamak-produced plasmas, astrophysical sources, and conventional light sources. The experimental studies are strengthened through large-scale ab initio calculations. Typical examples are the following: lifetime measurements in the neon isoelectronic sequence; multiplexed decay curve measurements of Li-like Si XII; and isoelectronic specification of intershell resonance and intercombination decay rates using measured transition probabilities and spectroscopically determined singlet-mixing amplitudes

DNA Length Modulates the Affinity of Fragments of Genomic DNA for the Nuclear Matrix In Vitro.

Science.gov (United States)

García-Vilchis, David; Aranda-Anzaldo, Armando

2017-12-01

Classical observations have shown that during the interphase the chromosomal DNA of metazoans is organized in supercoiled loops attached to a compartment known as the nuclear matrix (NM). Fragments of chromosomal DNA able to bind the isolated NM in vitro are known as matrix associated/attachment/addressed regions or MARs. No specific consensus sequence or motif has been found that may constitute a universal, defining feature of MARs. On the other hand, high-salt resistant DNA-NM interactions in situ define true DNA loop anchorage regions or LARs, that might correspond to a subset of the potential MARs but are not necessarily identical to MARs characterized in vitro, since there are several examples of MARs able to bind the NM in vitro but which are not actually bound to the NM in situ. In the present work we assayed the capacity of two LARs, as well as of shorter fragments within such LARs, for binding to the NM in vitro. Paradoxically the isolated (≈2 kb) LARs cannot bind to the NM in vitro while their shorter (≈300 pb) sub-fragments and other non-related but equally short DNA fragments, bind to the NM in a high-salt resistant fashion. Our results suggest that the ability of a given DNA fragment for binding to the NM in vitro primarily depends on the length of the fragment, suggesting that binding to the NM is modulated by the local topology of the DNA fragment in suspension that it is known to depend on the DNA length. J. Cell. Biochem. 118: 4487-4497, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Effective progression of nuclear magnetic resonance-detected fragment hits.

Science.gov (United States)

Eaton, Hugh L; Wyss, Daniel F

2011-01-01

Fragment-based drug discovery (FBDD) has become increasingly popular over the last decade as an alternate lead generation tool to HTS approaches. Several compounds have now progressed into the clinic which originated from a fragment-based approach, demonstrating the utility of this emerging field. While fragment hit identification has become much more routine and may involve different screening approaches, the efficient progression of fragment hits into quality lead series may still present a major bottleneck for the broadly successful application of FBDD. In our laboratory, we have extensive experience in fragment-based NMR screening (SbN) and the subsequent iterative progression of fragment hits using structure-assisted chemistry. To maximize impact, we have applied this approach strategically to early- and high-priority targets, and those struggling for leads. Its application has yielded a clinical candidate for BACE1 and lead series in about one third of the SbN/FBDD projects. In this chapter, we will give an overview of our strategy and focus our discussion on NMR-based FBDD approaches. Copyright © 2011 Elsevier Inc. All rights reserved.

Non-functional plastid ndh gene fragments are present in the nuclear genome of Norway spruce (Picea abies L. Karsch): insights from in silico analysis of nuclear and organellar genomes.

Science.gov (United States)

Ranade, Sonali Sachin; García-Gil, María Rosario; Rosselló, Josep A

2016-04-01

Many genes have been lost from the prokaryote plastidial genome during the early events of endosymbiosis in eukaryotes. Some of them were definitively lost, but others were relocated and functionally integrated to the host nuclear genomes through serial events of gene transfer during plant evolution. In gymnosperms, plastid genome sequencing has revealed the loss of ndh genes from several species of Gnetales and Pinaceae, including Norway spruce (Picea abies). This study aims to trace the ndh genes in the nuclear and organellar Norway spruce genomes. The plastid genomes of higher plants contain 11 ndh genes which are homologues of mitochondrial genes encoding subunits of the proton-pumping NADH-dehydrogenase (nicotinamide adenine dinucleotide dehydrogenase) or complex I (electron transport chain). Ndh genes encode 11 NDH polypeptides forming the Ndh complex (analogous to complex I) which seems to be primarily involved in chloro-respiration processes. We considered ndh genes from the plastidial genome of four gymnosperms (Cryptomeria japonica, Cycas revoluta, Ginkgo biloba, Podocarpus totara) and a single angiosperm species (Arabidopsis thaliana) to trace putative homologs in the nuclear and organellar Norway spruce genomes using tBLASTn to assess the evolutionary fate of ndh genes in Norway spruce and to address their genomic location(s), structure, integrity and functionality. The results obtained from tBLASTn were subsequently analyzed by performing homology search for finding ndh specific conserved domains using conserved domain search. We report the presence of non-functional plastid ndh gene fragments, excepting ndhE and ndhG genes, in the nuclear genome of Norway spruce. Regulatory transcriptional elements like promoters, TATA boxes and enhancers were detected in the upstream regions of some ndh fragments. We also found transposable elements in the flanking regions of few ndh fragments suggesting nuclear rearrangements in those regions. These evidences

Semiempirical model for nanoscale device simulations

DEFF Research Database (Denmark)

Stokbro, Kurt; Petersen, Dan Erik; Smidstrup, Søren

2010-01-01

We present a semiempirical model for calculating electron transport in atomic-scale devices. The model is an extension of the extended Hückel method with a self-consistent Hartree potential that models the effect of an external bias and corresponding charge rearrangements in the device. It is also...... possible to include the effect of external gate potentials and continuum dielectric regions in the device. The model is used to study the electron transport through an organic molecule between gold surfaces, and it is demonstrated that the results are in closer agreement with experiments than ab initio...

Biological effectiveness of high-energy protons - Target fragmentation

International Nuclear Information System (INIS)

Cucinotta, F.A.; Katz, R.; Wilson, J.W.; Townsend, L.W.; Shinn, J.; Hajnal, F.

1991-01-01

High-energy protons traversing tissue produce local sources of high-linear-energy-transfer ions through nuclear fragmentation. The contribution of these target fragments to the biological effectiveness of high-energy protons using the cellular track model is examined. The effects of secondary ions are treated in terms of the production collision density using energy-dependent parameters from a high-energy fragmentation model. Calculations for mammalian cell cultures show that at high dose, at which intertrack effects become important, protons deliver damage similar to that produced by gamma rays, and with fragmentation the relative biological effectiveness (RBE) of protons increases moderately from unity. At low dose, where sublethal damage is unimportant, the contribution from target fragments dominates, causing the proton effectiveness to be very different from that of gamma rays with a strongly fluence-dependent RBE. At high energies, the nuclear fragmentation cross sections become independent of energy. This leads to a plateau in the proton single-particle-action cross section, below 1 keV/micron, since the target fragments dominate. 29 refs

Hydrogen bonding in malonaldehyde: a density functional and reparametrized semiempirical approach

International Nuclear Information System (INIS)

Kovacevic, Goran; Hrenar, Tomica; Doslic, Nadja

2003-01-01

Intramolecular proton transfer in malonaldehyde (MA) has been investigated by density functional theory (DFT). The DFT results were used for the construction of a high quality semiempirical potential energy surface with a reparametrized PM3 Hamiltonian. A two-step reparameterization procedure is proposed in which (i) the PM3-MAIS core-core functions for the O-H and H-H interactions were used and a new functional form for the O-O correction function was proposed and (ii) a set of specific reaction parameters (SRP) has been obtained via genetic algorithm optimization. The quality of the reparametrized semiempirical potential energy surfaces was tested by calculating the tunneling splitting of vibrational levels and the anharmonic vibrational frequencies of the system. The applicability to multi-dimensional dynamics in large molecular systems is discussed

Peri/nuclear localization of intact insulin-like growth factor binding protein-2 and a distinct carboxyl-terminal IGFBP-2 fragment in vivo

International Nuclear Information System (INIS)

Hoeflich, A.; Reisinger, R.; Schuett, B.S.; Elmlinger, M.W.; Russo, V.C.; Vargas, G.A.; Jehle, P.M.; Lahm, H.; Renner-Mueller, I.; Wolf, E.

2004-01-01

Insulin-like growth factor binding protein-2 (IGFBP-2) as one of the most important IGFBPs has never been assessed in the intracellular compartment in vivo. Since there is evidence for novel intracellular functions of distinct IGFBPs, we investigated the presence of IGFBP-2 inside the cell. In peri/nuclear fractions of various tissues isolated from IGFBP-2 transgenic and non-transgenic mice we were able to show the presence of intact IGFBP-2. In addition, we demonstrate the presence of a highly conserved carboxyl-terminal IGFBP-2 fragment in the peri/nuclear fraction by using different peptide-induced antibodies. In pancreatic sections, confocal microscopy revealed the presence of IGFBP-2 on the nuclear surface but not within the nucleus. Our findings suggest novel functions of intact IGFBP-2 and IGFBP-2 fragments within the cell

Nuclear Alignment in Projectile Fragmentation as a Tool for Moment Measurements

International Nuclear Information System (INIS)

Georgiev, G.; Matea, I.; Oliveira Santos, F. de; Lewitowicz, M.; Daugas, J.M.; Belier, G.; Goutte, H.; Meot, V.; Roig, O.; Hass, M.; Baby, L.T.; Goldring, G.; Astabatyan, R.; Lukyanov, S.; Penionzhkevich, Yu.E.; Balabanski, D.L.; Borremans, D.; Himpe, P.; Neyens, G.; Sawicka, M.

2004-01-01

The application of the Time Dependent Perturbed Angular Distribution (TDPAD) method to study isomeric states produced and oriented in projectile-fragmentation reactions provides the opportunity to perform nuclear-moment measurements in a wide range of neutron-rich nuclei, unaccessible by other means. An absolute necessity for the application of the TDPAD technique is a spin-aligned ensemble of nuclei. The preliminary results from a recent application of this method on 61mFe and 54mFe at GANIL, Caen, France showed that a significant increase of the amount of the observed alignment, compared to our previous measurement on 67mNi and 69mCu, can be obtained. Some experimental details, concerning the conservation of the reaction obtained alignment, are discussed

Fragmentation of nitrogen-14 nuclei at 2.1 Gev per nucleon.

Science.gov (United States)

Heckman, H. H.; Greiner, D. E.; Lindstrom, P. J.; Bieser, F. S.

1971-01-01

An experiment has been carried out at the bevatron on the nuclear fragmentation of nitrogen-14 ions at an energy of 2.1 billion electron volts (Gev) per nucleon. Because of the near equality of the velocities of the nitrogen-14 beam and the fragmentation products at an angle of 0 deg, we find it possible to identify the nuclear fragments isotopically.

Theoretical Semi-Empirical AM1 studies of Schiff Bases

International Nuclear Information System (INIS)

Arora, K.; Burman, K.

2005-01-01

The present communication reports the theoretical semi-empirical studies of schiff bases of 2-amino pyridine along with their comparison with their parent compounds. Theoretical studies reveal that it is the azomethine group, in the schiff bases under study, that acts as site for coordination to metals as it is reported by many coordination chemists. (author)

DNA fragmentation and nuclear phenotype in tendons exposed to low-intensity infrared laser

Science.gov (United States)

de Paoli, Flavia; Ramos Cerqueira, Larissa; Martins Ramos, Mayara; Campos, Vera M.; Ferreira-Machado, Samara C.; Geller, Mauro; de Souza da Fonseca, Adenilson

2015-03-01

Clinical protocols are recommended in device guidelines outlined for treating many diseases on empirical basis. However, effects of low-intensity infrared lasers at fluences used in clinical protocols on DNA are controversial. Excitation of endogenous chromophores in tissues and free radicals generation could be described as a consequence of laser used. DNA lesions induced by free radicals cause changes in DNA structure, chromatin organization, ploidy degrees and cell death. In this work, we investigated whether low-intensity infrared laser therapy could alter the fibroblasts nuclei characteristics and induce DNA fragmentation. Tendons of Wistar rats were exposed to low-intensity infrared laser (830 nm), at different fluences (1, 5 and 10 J/cm2), in continuous wave (power output of 10mW, power density of 79.6 mW/cm2). Different frequencies were analyzed for the higher fluence (10 J/cm2), at pulsed emission mode (2.5, 250 and 2500 Hz), with the laser source at surface of skin. Geometric, densitometric and textural parameters obtained for Feulgen-stained nuclei by image analysis were used to define nuclear phenotypes. Significant differences were observed on the nuclear phenotype of tendons after exposure to laser, as well as, high cell death percentages was observed for all fluences and frequencies analyzed here, exception 1 J/cm2 fluence. Our results indicate that low-intensity infrared laser can alter geometric, densitometric and textural parameters in tendon fibroblasts nuclei. Laser can also induce DNA fragmentation, chromatin lost and consequently cell death, using fluences, frequencies and emission modes took out from clinical protocols.

Study of Particle Production and Nuclear Fragmentation in Collisions of $^{16}$O Beams with Emulsion Nuclei at 13-200 A GeV

CERN Multimedia

2002-01-01

.SK 2\\\\ \\\\ The aim of the experiment is to study, on an event by event basis, multiplicities of produced charged particles, pseudo-rapidity density distributions globally and in selected regions of pseudo-rapidity, density fluctuations, multiplicity and angular distributions of nuclear fragments and recoiling protons (30-400~A~MeV) and cross sections for production and interation of light and medium (Z=2-8) projectile fragments. \\\\ \\\\ The detectors are emulsion chambers as well as conventional emulsion stacks. The emulsion chambers consist of several layers of a plastic substrate, each coated with nuclear emulsion on both sides. Since the best measurement accuracy is obtained for the particles with the smallest emission angles, this design is especially suited for the pseudo-rapidity determination. The emulsion stacks, of both high and low sensitivity, have been exposed in the conventional way, with the beam parallel to the emulsion sheets. These stacks are used to study the fragmentation of the interaction n...

Taking account of valence and core electronic wavefunction orthogonality in the semiempirical molecular orbital calculations

International Nuclear Information System (INIS)

Ginejtite, V.L.; Balyavichyus, L.Z.

1979-01-01

Some shortcomings of the semiempirical method CNDO/1 (complete naglect of differential overlap) taking into account wave function orthogonalities of outer valence electrons to inner shells are being explained. To avoid these shortcomings the introduction of pseudopotential is recommended. Addition of the potential excludes overestimation of attraction among chemically unbounded atoms, corrects underestimation of the single, double and triple S-S coupling, gives reasons for some suppositions of the semiempirical methods, gives a truthful distribution of the electronic levels

Peripheral collisions of 2 GeV/nucleon Fe nuclei in nuclear emulsion. I. Light projectile fragments

International Nuclear Information System (INIS)

Friedlander, E.M.; Crawford, H.J.; Gimpel, R.W.; Greiner, D.E.; Heckman, H.H.; Lindstrom, P.J.

1978-01-01

Observations on 374 collisions of 1.88-GeV/nucleon Fe nuclei in Ilford G-5 nuclear track emulsion, in which at least one projectle fragment of Z > = 3 was emitted within a 6 0 cone, revealed several features of projectile breakup. The onset of copious multiple fragmentation was observed. The relatively high α-particle multiplicities allowed for the first time a study of the α multiplicity distribution; a Poisson distribution gave an excellent fit. The data showed a significant enhancement of α-particle pairs with very small relative momenta. The transverse momentum distributions, which should reflect best the thermal motion in the projectile system, are in flagrant discrepancy with theoretical predictions; the distributions show a marked target dependence. The charges of all projectile fragments up to B were determined by measurement of gap-length distributions. Events with N/sub h/ = 0 are a class apart from the rest of the events; between N/sub h/ = 1 and N/sub h/ = 9 there is surprisingly little change in most parameters. 4 figures

Fission and fragmentation of silver and bromine nuclei by 1-6 GeV energy photons

International Nuclear Information System (INIS)

Pinheiro Filho, J. de D.

1983-01-01

Fission and fragmentation of silver and bromine nuclei induced by bremsstrahlung photons in the maximum energy range of 1-6 GeV are studied. A special technique of nuclear emulsion for the highly ionizing nuclear fragment detection is used in the discrimination between nuclear fission and fragmentation events. Films of Ilford-KO nuclear emulsion (approximatelly 10 20 atoms/cm 2 of Ag, Br) which had been exposed to bremsstrahlung beams in 'Deutsches Elektronen Synchrotron' (DESY, Hamburg) with total doses of approximatelly 10 11 equivalent photons are used. Through a detailed analysis of range, angular and angle between fragment distributions, and empirical relations which permit to estimate nuclear fragment energy, range and velocity, the discrimination between fission and fragmentation events is made. Results related to fragment range distribution, angular distribution, distribution of angle between fragments, distribution of ratio between ranges, velocity distributions, forward/backward ratio, fission and fragmentation cross sections, nuclear fissionability and ternary fission frequency are presented and discussed. The results show that the mean photofragmentation cross section in the internal 1-6 GeV (0,09+-0,02mb) is significant when compared to the photofission (0,29+-0,05mb). It is also shown that the mean photofission cross section between 1 and 6 GeV is great by a factor of approximatelly 10 when compared to the foreseen by the cascade-evaporation nuclear model for monoenergetic photons of 0,6 GeV. (L.C.) [pt

Studies of complex fragment emission in heavy ion reactions

International Nuclear Information System (INIS)

Sobotka, L.G.

1989-01-01

The production of large fragments, fragments with mass between light particles and fission fragments, in intermediate and high energy nuclear reactions has fostered the proposal of a number of novel reaction mechanisms. These include liquid-vapor equilibrium and nuclear shattering. Temporarily left in the wake of these exciting proposed mechanisms was the old standard, statistical decay of compound nuclei. To be sure, the standard treatment of compound nucleus decay did not deal with large fragment production. However, this omission was not due to any fundamental deficiency of statistical models, but rather an uncertainty concerning exactly how to splice large fragment emission into statistical models. A large portion of our program deals with this problem. Specifically, by studying the yields of large fragments produced in sufficiently low energy reactions we are attempting to deduce the asymmetry and l-wave dependence of large fragment emission from compound nuclear intermediates. This, however, is only half of the problem. Since the novel mechanisms proposed for large fragment emission were spawned by intermediate and high energy reaction data, we must also realize the relevance of the compound nucleus mechanisms at high energies. It is not unreasonable to suspect that compound nucleus-like objects are formed with less than complete momentum transfer and perhaps less than complete mass transfer. Therefore the study of energy, mass, and angular momentum transfer in incomplete fusion and non-compound reactions. This thread joins the apparently divergent subjects covered in this report

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.

Science.gov (United States)

Dral, Pavlo O; Wu, Xin; Spörkel, Lasse; Koslowski, Axel; Thiel, Walter

2016-03-08

The semiempirical orthogonalization-corrected OMx methods (OM1, OM2, and OM3) go beyond the standard MNDO model by including additional interactions in the electronic structure calculation. When augmented with empirical dispersion corrections, the resulting OMx-Dn approaches offer a fast and robust treatment of noncovalent interactions. Here we evaluate the performance of the OMx and OMx-Dn methods for a variety of ground-state properties using a large and diverse collection of benchmark sets from the literature, with a total of 13035 original and derived reference data. Extensive comparisons are made with the results from established semiempirical methods (MNDO, AM1, PM3, PM6, and PM7) that also use the NDDO (neglect of diatomic differential overlap) integral approximation. Statistical evaluations show that the OMx and OMx-Dn methods outperform the other methods for most of the benchmark sets.

Semi-empirical calculations on the structure of the uronium ion

NARCIS (Netherlands)

Harkema, Sybolt

1972-01-01

Semi-empirical calculations (CNDO/2) on the structure of the uronium ion are presented. Assuming a planar ion with fixed bond lengths, the bond angles involving the heavy atoms can be calculated with fair accuracy. Changes in bond length and angles, which occur upon protonation of the urea molecule,

Yields of nuclear fragments in the interactions of carbon nuclei with a beryllium target at a projectile energy of 0.6 GeV per nucleon

Energy Technology Data Exchange (ETDEWEB)

Abramov, B. M.; Alexeev, P. N.; Borodin, Yu. A.; Bulychjov, S. A. [National Research Center Kurchatov Institute, Institute for Theoretical and Experimental Physics (Russian Federation); Gudima, K. K. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of); Dukhovskoy, I. A.; Krutenkova, A. P., E-mail: anna.krutenkova@itep.ru; Kulikov, V. V.; Martemianov, M. A.; Matsyuk, M. A. [National Research Center Kurchatov Institute, Institute for Theoretical and Experimental Physics (Russian Federation); Mashnik, S. G. [Los Alamos National Laboratory (United States); Turdakina, E. N.; Khanov, A. I. [National Research Center Kurchatov Institute, Institute for Theoretical and Experimental Physics (Russian Federation)

2016-09-15

The yields of long-lived nuclear fragments at an angle of 3.5° that originate fromthe fragmentation of carbon ions with an energy of T{sub 0} = 0.6 GeV per nucleon on a berylliumtarget were measured in the FRAGMexperiment at the ITEP TWA heavy-ion accelerator. The momentum spectra of these fragments cover both the fragmentation-maximum region and the cumulative region. The respective differential cross sections change by about five orders of magnitude. The momentum distributions of fragments in the laboratory frame and their kinetic-energy distributions in the rest frame of the fragmenting nucleus are used to test the predictions of four models of ion–ion interactions: BC, INCL++, LAQGSM03.03, and QMD.

A simple semi-empirical approximation for bond energy

International Nuclear Information System (INIS)

Jorge, F.E.; Giambiagi, M.; Giambiagi, M.S. de.

1985-01-01

A simple semi-empirical expression for bond energy, related with a generalized bond index, is proposed and applied within the IEH framework. The correlation with experimental data is good for the intermolecular bond energy of base pairs of nucleic acids and other hydrogen bonded systems. The intramolecular bond energies for a sample of molecules containing typical bonds and for hydrides are discussed. The results are compared with those obtained by other methods. (Author) [pt

Energy deposition at the bone-tissue interface from nuclear fragments produced by high-energy nucleons

Science.gov (United States)

Cucinotta, Francis A.; Hajnal, Ferenc; Wilson, John W.

1990-01-01

The transport of nuclear fragmentation recoils produced by high-energy nucleons in the region of the bone-tissue interface is considered. Results for the different flux and absorbed dose for recoils produced by 1 GeV protons are presented in a bidirectional transport model. The energy deposition in marrow cavities is seen to be enhanced by recoils produced in bone. Approximate analytic formulae for absorbed dose near the interface region are also presented for a simplified range-energy model.

Application of Semiempirical Methods to Transition Metal Complexes: Fast Results but Hard-to-Predict Accuracy.

KAUST Repository

Minenkov, Yury

2018-05-22

A series of semiempirical PM6* and PM7 methods has been tested in reproducing of relative conformational energies of 27 realistic-size complexes of 16 different transition metals (TMs). An analysis of relative energies derived from single-point energy evaluations on density functional theory (DFT) optimized conformers revealed pronounced deviations between semiempirical and DFT methods indicating fundamental difference in potential energy surfaces (PES). To identify the origin of the deviation, we compared fully optimized PM7 and respective DFT conformers. For many complexes, differences in PM7 and DFT conformational energies have been confirmed often manifesting themselves in false coordination of some atoms (H, O) to TMs and chemical transformations/distortion of coordination center geometry in PM7 structures. Despite geometry optimization with fixed coordination center geometry leads to some improvements in conformational energies, the resulting accuracy is still too low to recommend explored semiempirical methods for out-of-the-box conformational search/sampling: careful testing is always needed.

Parton fragmentation in the vacuum and in the medium

CERN Document Server

Albino, S.; Arleo, F.; Besson, Dave Z.; Brooks, William K.; Buschbeck, B.; Cacciari, M.; Christova, E.; Corcella, G.; D'Enterria, David G.; Dolejsi, Jiri; Domdey, S.; Estienne, M.; Hamacher, Klaus; Heinz, M.; Hicks, K.; Kettler, D.; Kumano, S.; Moch, S.O.; Muccifora, V.; Pacetti, S.; Perez-Ramos, R.; Pirner, H.J.; Pronko, Alexandre Pavlovich; Radici, M.; Rak, J.; Roland, C.; Rudolph, Gerald; Rurikova, Z.; Salgado, C.A.; Sapeta, S.; Saxon, David H.; Seidl, Ralf-Christian; Seuster, R.; Stratmann, M.; Tannenbaum, Michael J.; Tasevsky, M.; Trainor, T.; Traynor, D.; Werlen, M.; Zhou, C.

2008-01-01

We present the mini-proceedings of the workshop on ``Parton fragmentation in the vacuum and in the medium'' held at the European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT*, Trento) in February 2008. The workshop gathered both theorists and experimentalists to discuss the current status of investigations of quark and gluon fragmentation into hadrons at different accelerator facilities (LEP, B-factories, JLab, HERA, RHIC, and Tevatron) as well as preparations for extension of these studies at the LHC. The main physics topics covered were: (i) light-quark and gluon fragmentation in the vacuum including theoretical (global fits analyses and MLLA) and experimental (data from e+e-, p-p, e-p collisions) aspects, (ii) strange and heavy-quark fragmentation, (iii) parton fragmentation in cold QCD matter (nuclear DIS), and (iv) medium-modified fragmentation in hot and dense QCD matter (high-energy nucleus-nucleus collisions). These mini-proceedings consist of an introduction and short summ...

Heavy fragment radioactivity

International Nuclear Information System (INIS)

Silisteanu, I.

1991-06-01

The effect of collective mode excitation in heavy fragment radioactivity (HFR) is explored and discussed in the light of current experimental data. It is found that the coupling and resonance effects in fragment interaction and also the proper angular momentum effects may lead to an important enhancing of the emission process. New useful procedures are proposed for the study of nuclear decay properties. The relations between different decay processes are investigated in detail. We are also trying to understand and explain in a unified way the reaction mechanisms in decay phenomena. (author). 17 refs, 4 figs, 3 tabs

Fission fragment distributions within dynamical approach

Energy Technology Data Exchange (ETDEWEB)

Mazurek, K. [Institute of Nuclear, Physics Polish Academy of Sciences, Krakow (Poland); Nadtochy, P.N. [Omsk State Technical University, Omsk (Russian Federation); Ryabov, E.G.; Adeev, G.D. [Omsk State University, Physics Department, Omsk (Russian Federation)

2017-04-15

The review covers recent developments and achievements in the dynamical description of fission process at high excitation energy. It is shown that the dynamical approach based on multidimensional Langevin equations combined with the statistical description of nuclear decay by particles evaporation is capable of fairly well describing the formation of fission fragment mass-energy, charge, and angular distributions of fission fragments in coincidence with the pre- and post-scission particle emission. The final yields of fission and evaporation residues channels products could be obtained. The detailed description of fission dynamics allows studying different stages of fission process, indicating the most important ingredients governing fission process and studying in detail such fundamental nuclear properties as nuclear viscosity and fission timescale. The tasks and perspectives of multidimensional dynamical approach are also discussed. (orig.)

Data for increase of Lymantria dispar male survival after topical application of single-stranded RING domain fragment of IAP-3 gene of its nuclear polyhedrosis virus

Science.gov (United States)

Oberemok, Volodymyr V.; Laikova, Kateryna V.; Zaitsev, Aleksei S.; Gushchin, Vladimir A.; Skorokhod, Oleksii A.

2016-01-01

This data article is related to the research article entitled “The RING for gypsy moth control: topical application of fragment of its nuclear polyhedrosis virus anti-apoptosis gene as insecticide” [1]. This article reports on significantly higher survival of gypsy moth Lymantria dispar male individuals in response to topical application of single-stranded DNA, based on RING (really interesting new gene) domain fragment of LdMNPV (L. dispar multicapsid nuclear polyhedrosis virus) IAP-3 (inhibitor of apoptosis) gene and acted as DNA insecticide. PMID:27054151

Modelling the fragmentation mechanisms

International Nuclear Information System (INIS)

Bougault, R.; Durand, D.; Gulminelli, F.

1998-01-01

We have investigated the role of high amplitude collective motion in the nuclear fragmentation by using semi-classical macroscopic, as well as, microscopic simulations (BUU). These studies are motivated by the search of instabilities responsible for nuclear fragmentation. Two cases were examined: the bubble formation following the collective expansion of the compressed nucleus in case of very central reactions and, in the case of the semi-central collisions, the fast fission of the two partners issued from a binary reaction, in their corresponding Coulomb field. In the two cases the fragmentation channel is dominated by the inter-relation between the Coulomb and nuclear fields, and it is possible to obtain semi-quantitative predictions as functions of interaction parameters. The transport equations of BUU type predicts for central reactions formation of a high density transient state. Of much interest is the mechanism subsequent to de-excitation. It seems reasonable to conceive that the pressure stocked in the compressional mode manifests itself as a collective expansion of the system. As the pressure is a increasing function of the available energy one can conceive a variety of energy depending exit channels, starting from the fragmentation due the amplification of fluctuations interior to the spinodal zone up to the complete vaporization of the highly excited system. If the reached pressure is sufficiently high the reaction final state may preserve the memory of the entrance channel as a collective radial energy superimposed to the thermal disordered motion. Distributions of particles in the configuration space for both central and semi-central reactions for the Pb+Au system are presented. The rupture time is estimated to the order of 300 fm/c, and is strongly dependent on the initial temperature. The study of dependence of the rupture time on the interaction parameters is under way

Thermodynamics of the fuel fragmentation gas

International Nuclear Information System (INIS)

Perez, R.B.; Alsmiller, R.G. Jr.

1977-01-01

In the context of nuclear reactor safety studies, a program is in progress at ORNL whereby fuel-fragmentation situations are mocked up by the application of high-current capacitor discharges through solid UO 2 samples. The goal of the present work is to predict such quantities as the number of gas and liquid fragments and their energy distributions. The point of view adopted is that upon fragmentation, a cloud of UO 2 vapor is formed containing ''primeval'' liquid fragments which act as condensation centers. In the evolution of time, fragment growth is controlled by nucleation, coagulation and evaporation processes. Eventually, the vapor-droplet system will reach a situation in which clusters (fragments) of various sizes and UO 2 vapor will coexist in an ''association-disassociation'' equilibrium. Thus, the physical model considered here consists of the identification of the fragmentation gas with an ''imperfect'' vapor, made up of interacting UO 2 vapor and liquid fragments. The results of the study are presented

The Zero-Degree Detector system for fragmentation studies

International Nuclear Information System (INIS)

Adams, J.H.; Christl, M.J.; Howell, L.W.; Kuznetsov, E.

2007-01-01

The measurement of nuclear fragmentation cross-sections requires the detection and identification of individual projectile fragments. If light and heavy fragments are recorded in the same detector, it may be impossible to distinguish the signal from the light fragment. To overcome this problem, we have developed the Zero-degree Detector System (ZDDS). The ZDDS enables the measurement of cross-sections for light fragment production by using pixelated detectors to separately measure the signals of each fragment. The system has been used to measure the fragmentation of beams as heavy as Fe at the NASA Space Radiation Laboratory at Brookhaven National Laboratory and the Heavy Ion Medical Accelerator in Chiba, Japan

Benchmarking GW against exact diagonalization for semiempirical models

DEFF Research Database (Denmark)

Kaasbjerg, Kristen; Thygesen, Kristian Sommer

2010-01-01

We calculate ground-state total energies and single-particle excitation energies of seven pi-conjugated molecules described with the semiempirical Pariser-Parr-Pople model using self-consistent many-body perturbation theory at the GW level and exact diagonalization. For the total energies GW capt...... (Hubbard models) where correlation effects dominate over screening/relaxation effects. Finally we illustrate the important role of the derivative discontinuity of the true exchange-correlation functional by computing the exact Kohn-Sham levels of benzene....

A semi-empirical model for predicting crown diameter of cedrela ...

African Journals Online (AJOL)

A semi-empirical model relating age and breast height has been developed to predict individual tree crown diameter for Cedrela odorata (L) plantation in the moist evergreen forest zones of Ghana. The model was based on field records of 269 trees, and could determine the crown cover dynamics, forecast time of canopy ...

Quantum chemical approaches: semiempirical molecular orbital and hybrid quantum mechanical/molecular mechanical techniques.

Science.gov (United States)

Bryce, Richard A; Hillier, Ian H

2014-01-01

The use of computational quantum chemical methods to aid drug discovery is surveyed. An overview of the various computational models spanning ab initio, density function theory, semiempirical molecular orbital (MO), and hybrid quantum mechanical (QM)/molecular mechanical (MM) methods is given and their strengths and weaknesses are highlighted, focussing on the challenge of obtaining the accuracy essential for them to make a meaningful contribution to drug discovery. Particular attention is given to hybrid QM/MM and semiempirical MO methods which have the potential to yield the necessary accurate predictions of macromolecular structure and reactivity. These methods are shown to have advanced the study of many aspects of substrate-ligand interactions relevant to drug discovery. Thus, the successful parametrization of semiempirical MO methods and QM/MM methods can be used to model noncovalent substrate-protein interactions, and to lead to improved scoring functions. QM/MM methods can be used in crystal structure refinement and are particularly valuable for modelling covalent protein-ligand interactions and can thus aid the design of transition state analogues. An extensive collection of examples from the areas of metalloenzyme structure, enzyme inhibition, and ligand binding affinities and scoring functions are used to illustrate the power of these techniques.

Full energy peak efficiency of NaI(Tl) gamma detectors and its analytical and semi-empirical representations

International Nuclear Information System (INIS)

Sudarshan, M.; Joseph, J.; Singh, R.

1992-01-01

The validity of various analytical functions and semi-empirical formulae proposed for representing the full energy peak efficiency (FEPE) curves of Ge(Li) and HPGe detectors has been tested for the FEPE of 7.6 cm x 7.6 cm and 5 cm x 5 cm Nal(Tl) detectors in the gamma energy range from 59.5 to 1408.03 keV. The functions proposed by East, and McNelles and Campbell provide by far the best representations of the present data. The semi-empirical formula of Mowatt describes the present data very well. The present investigation shows that some of the analytical functions and semi-empirical formulae, which represent the FEPE of the Ge(Li) and HPGe detectors very well, can be quite fruitfully used for Nal(Tl) detectors. (Author)

Semi-empirical neutron tool calibration (one and two-group approximation)

International Nuclear Information System (INIS)

Czubek, J.A.

1988-01-01

The physical principles of the new method of calibration of neutron tools for the rock porosity determination are given. A short description of the physics of neutron transport in the matter is presented together with some remarks on the elementary interactions of neutrons with nuclei (cross sections, group cross sections etc.). The definitions of the main integral parameters characterizing the neutron transport in the rock media are given. The three main approaches to the calibration problem: empirical, theoretical and semi-empirical are presented with some more detailed description of the latter one. The new semi-empirical approach is described. The method is based on the definition of the apparent slowing down or migration length for neutrons sensed by the neutron tool situated in the real borehole-rock conditions. To calculate this apparent slowing down or migration lengths the ratio of the proper space moments of the neutron distribution along the borehole axis is used. Theoretical results are given for one- and two-group diffusion approximations in the rock-borehole geometrical conditions when the tool is in the sidewall position. The physical and chemical parameters are given for the calibration blocks of the Logging Company in Zielona Gora. Using these data the neutron parameters of the calibration blocks have been calculated. An example, how to determine the calibration curve for the dual detector tool applying this new method and using the neutron parameters mentioned above together with the measurements performed in the calibration blocks, is given. The most important advantage of the new semi-empirical method of calibration is the possibility of setting on the unique calibration curve all experimental calibration data obtained for a given neutron tool for different porosities, lithologies and borehole diameters. 52 refs., 21 figs., 21 tabs. (author)

Accumulation of linear mitochondrial DNA fragments in the nucleus shortens the chronological life span of yeast.

Science.gov (United States)

Cheng, Xin; Ivessa, Andreas S

2012-10-01

Translocation of mitochondrial DNA (mtDNA) fragments to the nucleus and insertion of those fragments into nuclear DNA has been observed in several organisms ranging from yeast to plants and mammals. Disruption of specific nuclear genes by de novo insertions of mtDNA fragments has even been linked to the initiation of several human diseases. Recently, we demonstrated that baker's yeast strains with high rates of mtDNA fragments migrating to the nucleus (yme1-1 mutant) exhibit short chronological life spans (CLS). The yeast CLS is determined by the survival of non-dividing cell populations. Here, we show that lack of the non-homologous-end-joining enzyme DNA ligase IV (DNL4) can rescue the short CLS of the yme1-1 mutant. In fission yeast, DNA ligase IV has been shown to be required for the capture of mtDNA fragments during the repair of double-stranded DNA breaks in nuclear DNA. In further analyses using pulse field gel and 2D gel electrophoresis we demonstrate that linear mtDNA fragments with likely nuclear localization accumulate in the yme1-1 mutant. The accumulation of the linear mtDNA fragments in the yme1-1 mutant is suppressed when Dnl4 is absent. We propose that the linear nuclear mtDNA fragments accelerate the aging process in the yme1-1 mutant cells by possibly affecting nuclear processes including DNA replication, recombination, and repair as well as transcription of nuclear genes. We speculate further that Dnl4 protein has besides its function as a ligase also a role in DNA protection. Dnl4 protein may stabilize the linear mtDNA fragments in the nucleus by binding to their physical ends. In the absence of Dnl4 protein the linear fragments are therefore unprotected and possibly degraded by nuclear nucleases. Copyright © 2012 Elsevier GmbH. All rights reserved.

Measurement of target fragments produced by 160 MeV proton beam in aluminum and polyethylene with CR-39 plastic nuclear track detectors

Czech Academy of Sciences Publication Activity Database

Ambrožová, Iva; Yasuda, N.; Kodaira, S.; Sihver, L.

2014-01-01

Roč. 64, MAY (2014), s. 29-34 ISSN 1350-4487 R&D Projects: GA AV ČR KJB100480901; GA AV ČR IAA100480902; GA MŠk LG14004 Institutional support: RVO:61389005 Keywords : target fragments * high-energy protons * Aluminium * Polyethylene * plastic nuclear track detectors * CR-39 Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 1.213, year: 2014

Fission fragment mass distributions via prompt γ-ray spectroscopy

Indian Academy of Sciences (India)

The distribution of fragment masses formed in nuclear fission is one of the most strik- ing features .... 80. 100. 120. 140. 160. 10. 3. 10. 4. Fragment Mass. Relative yield. Sn. Cd. Te. Pd ... the secondary fragment at Z = 50 and N = 82 shells, where the yields are depleted. Both ... More systematic experimental data are required.

Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

DEFF Research Database (Denmark)

Svendsen, Casper Steinmann; Blædel, Kristoffer L.; Christensen, Anders Steen

2013-01-01

An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules such as ubiq......An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules...

Application of the step-wise regression procedure to the semi-empirical formulae of the nuclear binding energy

International Nuclear Information System (INIS)

Eissa, E.A.; Ayad, M.; Gashier, F.A.B.

1984-01-01

Most of the binding energy semi-empirical terms without the deformation corrections used by P.A. Seeger are arranged in a multiple linear regression form. The stepwise regression procedure with 95% confidence levels for acceptance and rejection of variables is applied for seeking a model for calculating binding energies of even-even (E-E) nuclei through a significance testing of each basic term. Partial F-values are taken as estimates for the significance of each term. The residual standard deviation and the overall F-value are used for selecting the best linear regression model. (E-E) nuclei are taken into sets lying between two successive proton and neutron magic numbers. The present work is in favour of the magic number 126 followed by 164 for the neutrons and indecisive in supporting the recently predicted proton magic number 114 rather than the previous one, 126. (author)

The Role of Nuclear Fragmentation in Particle Therapy and Space Radiation Protection.

Science.gov (United States)

Zeitlin, Cary; La Tessa, Chiara

2016-01-01

reduced by fragmentation, but it can be argued that fragmentation also reduces the uncertainties in risk calculations by shifting the LET distribution toward one that is more concentrated at low LET, where biological effects are better understood. We review previous work in this area, including measurements made by the Radiation Assessment Detector during its journey to Mars and while on the surface of Mars aboard the Curiosity rover. Transport of HZE is also critically important in heavy-ion therapy, as it is necessary to know the details of the radiation field at the treatment site. This field is substantially modified compared to the incident pure (or nearly pure) ion beam by the same mechanisms of energy loss and nuclear fragmentation that pertain to the transport of space radiation.

Densities and temperatures at fragment formation in heavy-ion collision

Energy Technology Data Exchange (ETDEWEB)

Ohnishi, Akira [Hokkaido Univ., Sapporo (Japan)

1998-07-01

In order to clarify whether the liquid-gas phase transition is relevant to the multi-fragment formation found in intermediate energy heavy-ion collisions, we estimate the densities and temperatures at fragment formation in Au+Au collisions at incident energies of 150 MeV/A and 400 MeV/A within the Quantum Molecular Dynamics (QMD) model with and without quantum fluctuations implemented according to the Quantal Langevin (QL) model. The calculated results show that the IMFs are mainly produced inside the unstable region of nuclear matter, which supports the idea of the fragment formation from supercooled nuclear matter. (author)

Nuclear isomerism in fission fragments produced by the spontaneous fission of {sup 252}Cf; Isomerisme nucleaire dans les fragments de fission produits dans la fission spontanee du {sup 252}Cf

Energy Technology Data Exchange (ETDEWEB)

Gautherin, C

1997-09-01

This thesis is devoted to the study of the nuclear structure of neutron-rich nuclei, via the search of isomeric nuclear states. Neutron-rich nuclei were produced in the spontaneous fission of {sup 252}Cf. The experimental study of isomeric states in these nuclei was performed with the {gamma}-array EUROGAM II, coupled to an additional and original fission fragment detector composed by photovoltaic cells, SAPhIR. The photovoltaic cells are well adapted to detect low energy heavy ions and have good energy and time resolutions to obtain a good fission fragment detection. This experiment led to the discovery of new isomeric states in {sup 135}Xe, {sup 104}Mo, {sup 146,147,148}Ce and {sup 152,154,156}Nd, with lifetimes between 60 ns and 2 {mu}s. Level schemes of these nuclei have been completed. An interpretation of the isomeric states in the nuclei {sup 154,156}Nd and {sup 156,158}Sm was performed by Hartree-Fock-Bogolyubov calculations using the DIS Gogny force with two quasi-particles excitations. The confrontation with the experimental results led to an interpretation of these isomeric states as K-isomers. (author)

Nuclear fragmentation for Xe+Au and Xe+Ag systems at an energy of 44 A.MeV, formation and decay of hot nuclei; Etude de la fragmentation nucleaire pour les systemes XE+AU et XE+AG a 44 A.MeV, production et decroissance de noyaux chauds

Energy Technology Data Exchange (ETDEWEB)

Meslin, C.

1995-01-01

A study of the formation and the decay of hot nuclear fragments produced in the reactions Xe+Au and Xe+Ag at an energy of 44 A.MeV is presented in this thesis. The 4{pi} experimental setup consisted of four multidetectors -two for the detection of the fragments (Z>7; DELF and XYZT) and two for the detection of the charged particles (Z<6; MUR and TONNEAU) and allowed an analysis using ``complete events`` (80 % of the total charge and the total parallel linear momentum of the entrance channel) to be carried out. The reaction mechanism is binary with as observed at low energy an almost complete relaxation of the incident energy. The collision results in two hot fragments at the beginning of the exit channel which decay by evaporation and/or fragmentation. In addition of these two body events, we have identified a new dynamic mechanism where we detect a small fragment, called the neck, coming form the overlap of the nuclei during the interaction, in coincidence with a projectile-like fragment and a target-like fragment. For the most dissipative collisions, the deep inelastic collision have allowed an estimation of the lifetime of the hot nuclear fragments to be made. This is possible using proximity effects and fragment-fragment space-time correlations of the decay of one or two primary partners from the deep inelastic collisions. This method is seen to reach its limits in the case of the reactions studied here. (authors). 61 refs.

Interactions of $^{16}$O Projectile and its Fragments in Nuclear Emulsion at about 60 and 200 GeV/nucleon

CERN Multimedia

2002-01-01

The aim of the experiment is to measure the multiplicity ``$ n _{s} $'' and pseudo-rapidity ``$\\eta$'' of the shower particles ($\\beta$~$\\geq$~0.7) produced in different types of collisions (peripheral, semi-central and central), of $^{16}$O and $^{32}$S in nuclear emulsions. The multiplicities and angular distributions of both the grey ``$ n _{g} $'' (mainly due to knock- on and recoil protons), and black ``$ n _{b} $'' (slow evaporated target fragments) particles, and the inter-correlation between them are studied. \\\\ \\\\ The yield, charge and angular distributions of produced relativistic projectile fragments P.F.S., for $ Z _{P} . _{F} . $ $\\geq$~2 are measured and their interactions in emulsions are investigated. \\\\ \\\\ The study of the mean free paths for the projectile fragments with Z $\\geq$ 3 produced from 200~A~GeV $^{16}$ 0 interactions were performed, which show the absence of the anomalous phenomena. \\\\ \\\\ The possible production of zero-spin light neutral scaler bosons and pseudoscaler bosons from...

Improved description of the fragmentation of nuclear collective states

International Nuclear Information System (INIS)

Soloviev, V.G.

1984-01-01

A mathematical method is deveioped for a more accurate description of the fragmentation of one-phonon states forming giant resonances. The method consists in that the one-phonon states already fragmented are used in the two-phonon terms of wave functions. Strength functions are obtained for the exci excitation of collective charge-exchange states ano giant resonances in spherical nuclei

Chemical Explosion Experiments to Improve Nuclear Test Monitoring - Developing a New Paradigm for Nuclear Test Monitoring with the Source Physics Experiments (SPE)

International Nuclear Information System (INIS)

Snelson, Catherine M.; Abbott, Robert E.; Broome, Scott T.; Mellors, Robert J.; Patton, Howard J.; Sussman, Aviva J.; Townsend, Margaret J.; Walter, William R.

2013-01-01

A series of chemical explosions, called the Source Physics Experiments (SPE), is being conducted under the auspices of the U.S. Department of Energy's National Nuclear Security Administration (NNSA) to develop a new more physics-based paradigm for nuclear test monitoring. Currently, monitoring relies on semi-empirical models to discriminate explosions from earthquakes and to estimate key parameters such as yield. While these models have been highly successful monitoring established test sites, there is concern that future tests could occur in media and at scale depths of burial outside of our empirical experience. This is highlighted by North Korean tests, which exhibit poor performance of a reliable discriminant, mb:Ms (Selby et al., 2012), possibly due to source emplacement and differences in seismic responses for nascent and established test sites. The goal of SPE is to replace these semi-empirical relationships with numerical techniques grounded in a physical basis and thus applicable to any geologic setting or depth

Antiproton Induced Fission and Fragmentation of Nuclei

CERN Multimedia

2002-01-01

The annihilation of slow antiprotons with nuclei results in a large highly localized energy deposition primarily on the nuclear surface. \\\\ \\\\ The study of antiproton induced fission and fragmentation processes is expected to yield new information on special nuclear matter states, unexplored fission modes, multifragmentation of nuclei, and intranuclear cascades.\\\\ \\\\ In order to investigate the antiproton-nucleus interaction and the processes following the antiproton annihilation at the nucleus, we propose the following experiments: \\item A)~Measurement of several fragments from fission and from multifragmentation in coincidence with particle spectra, especially neutrons and kaons. \\item B)~Precise spectra of $\\pi$, K, n, p, d and t with time-of-flight techniques. \\item C)~Installation of the Berlin 4$\\pi$ neutron detector with a 4$\\pi$ Si detector placed inside for fragments and charged particles. This yields neutron multiplicity distributions and consequently distributions of thermal excitation energies and...

A multiple sampling time projection ionization chamber for nuclear fragment tracking and charge measurement

International Nuclear Information System (INIS)

Bauer, G.; Bieser, F.; Brady, F.P.; Chance, J.C.; Christie, W.F.; Gilkes, M.; Lindenstruth, V.; Lynen, U.; Mueller, W.F.J.; Romero, J.L.; Sann, H.; Tull, C.E.; Warren, P.

1997-01-01

A detector has been developed for the tracking and charge measurement of the projectile fragment nuclei produced in relativistic nuclear collisions. This device, MUSIC II, is a second generation Multiple Sampling Ionization Chamber (MUSIC), and employs the principles of ionization and time projection chambers. It provides unique charge determination for charges Z≥6, and excellent track position measurement. MUSIC II has been used most recently with the EOS (equation of state) TPC and other EOS collaboration detectors. Earlier it was used with other systems in experiments at the Heavy Ion Superconducting Spectrometer (HISS) facility at Lawrence Berkeley Laboratory and the ALADIN spectrometer at GSI. (orig.)

[Studies of target fragmentation in intermediate energy, relativistic and ultra-relativistic nuclear collisions

International Nuclear Information System (INIS)

Loveland, W.D.

1991-08-01

The work described herein is part of a project involving the study of low energy ( 250 MeV/A) heavy ion reactions. In the low energy regime, we published a monograph on the properties of the heaviest elements and used that publication as a basis for making a set of ''best'' semi-empirical predictions of heavy element decay properties. The intermediate energy research effort focussed upon the completion of studies already begun and the initiation of a number of new experiments. In our study of a interaction of 21 MeV/nucleon 129 Xe with 197 Au, we compared the characteristics of the observed deep inelastic phenomena with various models of dissipative reactions and found significant discrepancies between observations and predictions. These discrepancies seemed to be caused by an improper treatment of pre-equilibrium in the early stages of the collision. In our study of the relativistic interaction of 400 MeV/nucleon 12 C with 197 Au, we reported the first direct physical measurement of the properties of the spallation residues from a nucleus-nucleus collision. We found the residue energies to be much lower than those predicted by the intranuclear cascade model, indicating some substantial modifications of that model are needed. But, we also found, indications of significant, non-zero values of the residue transverse momentum, a finding that calls into question the interpretation of a number of radiochemical recoil studies of the kinematics of high energy reactions. A program of performing numerical simulations of intermediate and high energy nuclear collisions using the QMD model was initiated

Semi-empirical atom-atom interaction models and X-ray crystallography

International Nuclear Information System (INIS)

Braam, A.W.M.

1981-01-01

Several aspects of semi-empirical energy calculations in crystallography are considered. Solid modifications of ethane have been studied using energy calculations and a fast summation technique has been evaluated. The structure of tetramethylpyrazine has been determined at room temperature and at 100K and accurate structure factors have been derived from measured Bragg intensities. Finally electrostatic properties have been deduced from X-ray structure factors. (C.F.)

Fragmentation patterns of jets in pPb collisions in CMS

CERN Document Server

AUTHOR|(CDS)2089542

2016-01-01

The nuclear parton distribution function and flavor composition of hard scattering processes can be accurately studied using the jet fragmentation functions. Recent measurements of the pPb nuclear modification factor ($R_{pPb}$), with diverging values for inclusive jets and charged hadrons, have raised question on jet fragmentation properties in pPb collisions. These spectra measurements are performed with pp reference at 5.02 TeV constructed by interpolation or extrapolation from different $\\sqrt{s}$, and on steeply falling power-law spectra. As the jet fragmentation function is only evolving logarithmically with $\\sqrt{s}$, this further underscores the importance of a direct measurement. Together with the CMS results in pPb inclusive jets and charge hadron $R_{pPb}$, we introduce the new CMS measurement of fragmentation function in pPb collisions, where within our uncertainties, jets in pPb is found to have identical fragmentation property vs. pp jets. We will further discuss the consistency and tension amo...

On the use of semiempirical models of (solid + supercritical fluid) systems to determine solid sublimation properties

International Nuclear Information System (INIS)

Tabernero, Antonio; Martin del Valle, Eva M.; Galan, Miguel A.

2011-01-01

Research highlights: → We propose a method to determine sublimation properties of solids. → Low deviations were produced calculating sublimation enthalpies and pressures. → It is a required step to determine the vaporization enthalpy of the solid. → It is possible to determine solid properties using semiempirical models solid-SCF. - Abstract: Experimental solubility data of solid-supercritical fluids have significantly increased in the last few years, and semiempirical models are emerging as one of the best choices to fit this type of data. This work establishes a methodology to calculate sublimation pressures using this type of equations. It requires the use of Bartle's equation to model equilibria data solid-supercritical fluids with the aim of determining the vaporization enthalpy of the compound. Using this method, low deviations were obtained by calculating sublimation pressures and sublimation enthalpies. The values of the sublimation pressures were subsequently used to successfully model different multiphasic equilibria, as solid-supercritical fluids and solid-solvent-supercritical fluids with the Peng-Robinson equation of state (without considering the sublimation pressure as an adjustable parameter). On the other hand, the sublimation pressures were also used to calculate solid sublimation properties and acetaminophen solvation properties in some solvents. Also, solubility data solid-supercritical fluids from 62 pharmaceuticals were fitted with different semiempirical equations (Chrastil, Kumar-Johnston and Bartle models) in order to present the values of solvation enthalpies in sc-CO 2 and vaporization enthalpies for these compounds. All of these results highlight that semiempirical models can be used for any other purpose as well as modeling (solid + supercritical fluids) equilibria.

Semiempirical and ab initio calculations versus dynamic NMR on conformational analysis of cyclohexyl-N,N-dimethylcarbamate

Directory of Open Access Journals (Sweden)

Basso Ernani A.

2001-01-01

Full Text Available Axial-equatorial conformational proportions for cyclohexyl-N,N-dimethyl carbamate have been measured, for the first time, by the Eliel method, ¹H and 13C dynamic nuclear magnetic resonance (DNMR. The results were compared against those determined by theoretical calculations. By the Eliel method at least five experimentally independent measureables were used in CCl4, CDCl3 and CD3CN. The ¹H and 13C low temperature experiments were performed in CF2Br2/CD2Cl2 . Semiempirical methods MNDO, AM1 and PM3 and ab initio molecular orbital calculations at the HF/STO-3G and HF/6-31G(d,p levels have been performed on the axial and equatorial conformers populations. All applied methods correctly predict the equatorial conformer preference over the axial one. The resulting equatorial preferences determined by NMR data and theoretical calculations are in good agreement.

Average Nuclear properties based on statistical model

International Nuclear Information System (INIS)

El-Jaick, L.J.

1974-01-01

The rough properties of nuclei were investigated by statistical model, in systems with the same and different number of protons and neutrons, separately, considering the Coulomb energy in the last system. Some average nuclear properties were calculated based on the energy density of nuclear matter, from Weizsscker-Beth mass semiempiric formulae, generalized for compressible nuclei. In the study of a s surface energy coefficient, the great influence exercised by Coulomb energy and nuclear compressibility was verified. For a good adjust of beta stability lines and mass excess, the surface symmetry energy were established. (M.C.K.) [pt

Multiple parton scattering in nuclei: heavy quark energy loss and modified fragmentation functions

International Nuclear Information System (INIS)

Zhang Benwei; Wang, Enke; Wang Xinnian

2005-01-01

Multiple scattering, induced radiative energy loss and modified fragmentation functions of a heavy quark in nuclear matter are studied within the framework of generalized factorization in perturbative QCD. Modified heavy quark fragmentation functions and energy loss are derived in detail with illustration of the mass dependencies of the Landau-Pomeranchuk-Migdal interference effects and heavy quark energy loss. Due to the quark mass dependence of the gluon formation time, the nuclear size dependencies of nuclear modification of the heavy quark fragmentation function and heavy quark energy loss are found to change from a linear to a quadratic form when the initial energy and momentum scale are increased relative to the quark mass. The radiative energy loss of the heavy quark is also significantly suppressed due to limited cone of gluon radiation imposed by the mass. Medium modification of the heavy quark fragmentation functions is found to be limited to the large z region due to the form of heavy quark fragmentation functions in vacuum

Semiempirical Quantum Chemical Calculations Accelerated on a Hybrid Multicore CPU-GPU Computing Platform.

Science.gov (United States)

Wu, Xin; Koslowski, Axel; Thiel, Walter

2012-07-10

In this work, we demonstrate that semiempirical quantum chemical calculations can be accelerated significantly by leveraging the graphics processing unit (GPU) as a coprocessor on a hybrid multicore CPU-GPU computing platform. Semiempirical calculations using the MNDO, AM1, PM3, OM1, OM2, and OM3 model Hamiltonians were systematically profiled for three types of test systems (fullerenes, water clusters, and solvated crambin) to identify the most time-consuming sections of the code. The corresponding routines were ported to the GPU and optimized employing both existing library functions and a GPU kernel that carries out a sequence of noniterative Jacobi transformations during pseudodiagonalization. The overall computation times for single-point energy calculations and geometry optimizations of large molecules were reduced by one order of magnitude for all methods, as compared to runs on a single CPU core.

Nuclear structure via isomer tagging of fission fragments

Science.gov (United States)

Wu, C. Y.; Cline, D.; Simon, M. W.; Stoyer, M. A.

1997-10-01

The high efficiency for detecting high-fold γ rays by large Ge arrays makes it possible to study the detailed spectroscopy of many neutron-rich nuclei produced by fission. Major progress has been made using sealed spontaneous fission sources. Considerable improvement in selectivity is provided, with an open source, both by gating on isomers and by detection of both fission fragments in coincidence with the deexcitation γ rays (see the preceding contribution). The reconstructed kinematics allows a measure of fragment mass and the Doppler shift correction of γ rays. In a recent experiment, fission fragments were detected using half of the CHICO array and an annular PPAC in coincidence with deexcitation γ rays detected by the Rochester array of eight Compton-suppressed Ge detectors. The annular PPAC was located only 1.0" from a 3.7 μCi ^252Cf source for efficient isomer tagging. The correlation was studied between delayed, within a time window between 150 ns and 10 μs after a fission occurring, and prompt γ rays. Several prominent feeding patterns to isomers in the mass region around 100 and 130 are identified by such correlation study. Experimental details and results will be presented.

Fission fragment yields from heavy-ion-induced reactions measured with a fragment separator

Science.gov (United States)

Tarasov, O. B.; Delaune, O.; Farget, F.; Morrissey, D. J.; Amthor, A. M.; Bastin, B.; Bazin, D.; Blank, B.; Cacéres, L.; Chbihi, A.; Fernández-Dominguez, B.; Grévy, S.; Kamalou, O.; Lukyanov, S. M.; Mittig, W.; Pereira, J.; Perrot, L.; Saint-Laurent, M.-G.; Savajols, H.; Sherrill, B. M.; Stodel, C.; Thomas, J. C.; Villari, A. C.

2018-04-01

The systematic study of fission fragment yields under different initial conditions has provided valuable experimental data for benchmarking models of fission product yields. Nuclear reactions using inverse kinematics coupled to the use of a high-resolution spectrometer with good fragment identification are shown here to be a powerful tool to measure the inclusive isotopic yields of fission fragments. In-flight fusion-fission was used in this work to produce secondary beams of neutron-rich isotopes in the collisions of a 238U beam at 24 MeV/u with 9Be and 12C targets at GANIL using the LISE3 fragment separator. Unique identification of the A, Z, and atomic charge state, q, of fission products was attained with the Δ E- TKE-B ρ- ToF measurement technique. Mass, and atomic number distributions are reported for the two reactions. The results show the importance of different reaction mechanisms in the two cases. The optimal target material for higher yields of neutron-rich high- Z isotopes produced in fusion-fission reactions as a function of projectile energy is discussed.

Machine learning of parameters for accurate semiempirical quantum chemical calculations

International Nuclear Information System (INIS)

Dral, Pavlo O.; Lilienfeld, O. Anatole von; Thiel, Walter

2015-01-01

We investigate possible improvements in the accuracy of semiempirical quantum chemistry (SQC) methods through the use of machine learning (ML) models for the parameters. For a given class of compounds, ML techniques require sufficiently large training sets to develop ML models that can be used for adapting SQC parameters to reflect changes in molecular composition and geometry. The ML-SQC approach allows the automatic tuning of SQC parameters for individual molecules, thereby improving the accuracy without deteriorating transferability to molecules with molecular descriptors very different from those in the training set. The performance of this approach is demonstrated for the semiempirical OM2 method using a set of 6095 constitutional isomers C 7 H 10 O 2 , for which accurate ab initio atomization enthalpies are available. The ML-OM2 results show improved average accuracy and a much reduced error range compared with those of standard OM2 results, with mean absolute errors in atomization enthalpies dropping from 6.3 to 1.7 kcal/mol. They are also found to be superior to the results from specific OM2 reparameterizations (rOM2) for the same set of isomers. The ML-SQC approach thus holds promise for fast and reasonably accurate high-throughput screening of materials and molecules

Uranium Dioxides and Debris Fragments Released to the Environment with Cesium-Rich Microparticles from the Fukushima Daiichi Nuclear Power Plant.

Science.gov (United States)

Ochiai, Asumi; Imoto, Junpei; Suetake, Mizuki; Komiya, Tatsuki; Furuki, Genki; Ikehara, Ryohei; Yamasaki, Shinya; Law, Gareth T W; Ohnuki, Toshihiko; Grambow, Bernd; Ewing, Rodney C; Utsunomiya, Satoshi

2018-03-06

Trace U was released from the Fukushima Daiichi Nuclear Power Plant (FDNPP) during the meltdowns, but the speciation of the released components of the nuclear fuel remains unknown. We report, for the first time, the atomic-scale characteristics of nanofragments of the nuclear fuels that were released from the FDNPP into the environment. Nanofragments of an intrinsic U-phase were discovered to be closely associated with radioactive cesium-rich microparticles (CsMPs) in paddy soils collected ∼4 km from the FDNPP. The nanoscale fuel fragments were either encapsulated by or attached to CsMPs and occurred in two different forms: (i) UO 2+X nanocrystals of ∼70 nm size, which are embedded into magnetite associated with Tc and Mo on the surface and (ii) Isometric (U,Zr)O 2+X nanocrystals of ∼200 nm size, with the U/(U+Zr) molar ratio ranging from 0.14 to 0.91, with intrinsic pores (∼6 nm), indicating the entrapment of vapors or fission-product gases during crystallization. These results document the heterogeneous physical and chemical properties of debris at the nanoscale, which is a mixture of melted fuel and reactor materials, reflecting the complex thermal processes within the FDNPP reactor during meltdown. Still CsMPs are an important medium for the transport of debris fragments into the environment in a respirable form.

Permeability-driven selection in a semi-empirical protocell model

DEFF Research Database (Denmark)

Piedrafita, Gabriel; Monnard, Pierre-Alain; Mavelli, Fabio

2017-01-01

to prebiotic systems evolution more intricate, but were surely essential for sustaining far-from-equilibrium chemical dynamics, given their functional relevance in all modern cells. Here we explore a protocellular scenario in which some of those additional constraints/mechanisms are addressed, demonstrating...... their 'system-level' implications. In particular, an experimental study on the permeability of prebiotic vesicle membranes composed of binary lipid mixtures allows us to construct a semi-empirical model where protocells are able to reproduce and undergo an evolutionary process based on their coupling...

Comparison of semiempirical formulae for alpha decay half-lives

International Nuclear Information System (INIS)

Poenaru, D.N.; Ivascu, M.; Sandulesku, A.

1983-01-01

The semiempirical relationships given by Froeman, Wapstra et al., Viola and Seaborg, Hornshoj et al., Taagepera and Nurmia, Keller and Munzel for alpha decay half-lives are compared with experimental results and with a new formula derived by the authors form the fission theory of alpha decay in even-even, odd-even, even-odd and odd-odd nuclei. By taking into consideration the shell effects, the new formula allows one to obtain a better agreement with experimental data, even in the neighbourhood of the magic numbers

Fragmentation in 28Si-emulsion interactions at 3.7A GeV

International Nuclear Information System (INIS)

Singh, B.K.; Tuli, S.K.

1999-01-01

The results on fragmentation of a 3.7A GeV 28 Si projectile in interactions with different target nuclei in nuclear emulsion are presented. Limiting fragmentation behaviour of the projectile fragments is achieved at this energy. It is shown that the factorization principle for fragmentation cross-sections holds for light fragments only. A bond percolation prescription is able to reproduce the experimental observations for fragments with charge 4≤Z≤10. A rise in the production of helium fragments is also predicted by bond percolation

Empirical information on nuclear matter fourth-order symmetry energy from an extended nuclear mass formula

Directory of Open Access Journals (Sweden)

Rui Wang

2017-10-01

Full Text Available We establish a relation between the equation of state of nuclear matter and the fourth-order symmetry energy asym,4(A of finite nuclei in a semi-empirical nuclear mass formula by self-consistently considering the bulk, surface and Coulomb contributions to the nuclear mass. Such a relation allows us to extract information on nuclear matter fourth-order symmetry energy Esym,4(ρ0 at normal nuclear density ρ0 from analyzing nuclear mass data. Based on the recent precise extraction of asym,4(A via the double difference of the “experimental” symmetry energy extracted from nuclear masses, for the first time, we estimate a value of Esym,4(ρ0=20.0±4.6 MeV. Such a value of Esym,4(ρ0 is significantly larger than the predictions from mean-field models and thus suggests the importance of considering the effects of beyond the mean-field approximation in nuclear matter calculations.

SAPhIR: a fission-fragment detector

International Nuclear Information System (INIS)

Theisen, Ch.; Gautherin, C.; Houry, M.; Korten, W.; Le Coz, Y.; Lucas, R.; Barreau, G.; Doan, T. P.; Belier, G.; Meot, V.; Ethvignot, Th.; Cahan, B.; Le Coguie, A.; Coppolani, X.; Delaitre, B.; Le Bourlout, P.; Legou, Ph.; Maillard, O.; Durand, G.; Bouillac, A.

1998-01-01

SAPhIR is the acronym for S a clay A q uitaine P ho tovoltaic cells for I s omer R e search. It consists of solar cells, used for fission-fragment detection. It is a collaboration between 3 laboratories: CEA Saclay, CENBG Bordeaux and CEA Bruyeres le Chatel. The coupling of a highly efficient fission-fragment detector like SAPhIR with EUROBALL will provide new insights in the study of very deformed nuclear matter and in the spectroscopy of neutron-rich nuclei

(Studies of target fragmentation in intermediate energy, relativistic and ultra-relativistic nuclear collisions)

Energy Technology Data Exchange (ETDEWEB)

Loveland, W.D.

1991-08-01

The work described herein is part of a project involving the study of low energy (< 10 MeV/A), intermediate energy (10--100 MeV/A) and relativistic (> 250 MeV/A) heavy ion reactions. In the low energy regime, we published a monograph on the properties of the heaviest elements and used that publication as a basis for making a set of best'' semi-empirical predictions of heavy element decay properties. The intermediate energy research effort focussed upon the completion of studies already begun and the initiation of a number of new experiments. In our study of a interaction of 21 MeV/nucleon {sup 129}Xe with {sup 197}Au, we compared the characteristics of the observed deep inelastic phenomena with various models of dissipative reactions and found significant discrepancies between observations and predictions. These discrepancies seemed to be caused by an improper treatment of pre-equilibrium in the early stages of the collision. In our study of the relativistic interaction of 400 MeV/nucleon {sup 12}C with {sup 197}Au, we reported the first direct physical measurement of the properties of the spallation residues from a nucleus-nucleus collision. We found the residue energies to be much lower than those predicted by the intranuclear cascade model, indicating some substantial modifications of that model are needed. But, we also found, indications of significant, non-zero values of the residue transverse momentum, a finding that calls into question the interpretation of a number of radiochemical recoil studies of the kinematics of high energy reactions. A program of performing numerical simulations of intermediate and high energy nuclear collisions using the QMD model was initiated.

Fast Biological Modeling for Voxel-based Heavy Ion Treatment Planning Using the Mechanistic Repair-Misrepair-Fixation Model and Nuclear Fragment Spectra

Energy Technology Data Exchange (ETDEWEB)

Kamp, Florian [Department of Therapeutic Radiology, Yale University School of Medicine, New Haven, Connecticut (United States); Department of Radiation Oncology, Technische Universität München, Klinikum Rechts der Isar, München (Germany); Physik-Department, Technische Universität München, Garching (Germany); Cabal, Gonzalo [Experimental Physics–Medical Physics, Ludwig Maximilians University Munich, Garching (Germany); Mairani, Andrea [Medical Physics Unit, Centro Nazionale Adroterapia Oncologica (CNAO), Pavia (Italy); Heidelberg Ion-Beam Therapy Center, Heidelberg (Germany); Parodi, Katia [Experimental Physics–Medical Physics, Ludwig Maximilians University Munich, Garching (Germany); Wilkens, Jan J. [Department of Radiation Oncology, Technische Universität München, Klinikum Rechts der Isar, München (Germany); Physik-Department, Technische Universität München, Garching (Germany); Carlson, David J., E-mail: david.j.carlson@yale.edu [Department of Therapeutic Radiology, Yale University School of Medicine, New Haven, Connecticut (United States)

2015-11-01

Purpose: The physical and biological differences between heavy ions and photons have not been fully exploited and could improve treatment outcomes. In carbon ion therapy, treatment planning must account for physical properties, such as the absorbed dose and nuclear fragmentation, and for differences in the relative biological effectiveness (RBE) of ions compared with photons. We combined the mechanistic repair-misrepair-fixation (RMF) model with Monte Carlo-generated fragmentation spectra for biological optimization of carbon ion treatment plans. Methods and Materials: Relative changes in double-strand break yields and radiosensitivity parameters with particle type and energy were determined using the independently benchmarked Monte Carlo damage simulation and the RMF model to estimate the RBE values for primary carbon ions and secondary fragments. Depth-dependent energy spectra were generated with the Monte Carlo code FLUKA for clinically relevant initial carbon ion energies. The predicted trends in RBE were compared with the published experimental data. Biological optimization for carbon ions was implemented in a 3-dimensional research treatment planning tool. Results: We compared the RBE and RBE-weighted dose (RWD) distributions of different carbon ion treatment scenarios with and without nuclear fragments. The inclusion of fragments in the simulations led to smaller RBE predictions. A validation of RMF against measured cell survival data reported in published studies showed reasonable agreement. We calculated and optimized the RWD distributions on patient data and compared the RMF predictions with those from other biological models. The RBE values in an astrocytoma tumor ranged from 2.2 to 4.9 (mean 2.8) for a RWD of 3 Gy(RBE) assuming (α/β){sub X} = 2 Gy. Conclusions: These studies provide new information to quantify and assess uncertainties in the clinically relevant RBE values for carbon ion therapy based on biophysical mechanisms. We present results from

A combined semiempirical-DFT study of oligomers within the finite-chain approximation, evolution from oligomers to polymers.

Science.gov (United States)

Derosa, Pedro A

2009-06-01

A computationally cheap approach combining time-independent density functional theory (TIDFT) and semiempirical methods with an appropriate extrapolation procedure is proposed to accurately estimate geometrical and electronic properties of conjugated polymers using just a small set of oligomers. The highest occupied molecular orbital-lowest unoccupied molecular orbital gap (HLG) obtained at a TIDFT level (B3PW91) for two polymers, trans-polyacetylene--the simplest conjugated polymer, and a much larger poly(2-methoxy-5-(2,9-ethyl-hexyloxy)-1,4-phenylenevinylene (MEH-PPV) polymer converge to virtually the same asymptotic value than the excitation energy obtained with time-dependent DFT (TDDFT) calculations using the same functional. For TIDFT geometries, the HLG is found to converge to a value within the experimentally accepted range for the band gap of these polymers, when an exponential extrapolation is used; however if semiempirical geometries are used, a linear fit of the HLG versus 1/n is found to produce the best results. Geometrical parameters are observed to reach a saturation value in good agreement with experimental information, within the length of oligomers calculated here and no extrapolation was considered necessary. Finally, the performance of three different semiempirical methods (AM1, PM3, and MNDO) and for the TIDFT calculations, the performance of 7 different full electron basis sets (6-311+G**, 6-31+ +G**, 6-311+ +G**, 6-31+G**, 6-31G**, 6-31+G*, and 6-31G) is compared and it is determined that the choice of semiempirical method or the basis set does not significantly affect the results. 2008 Wiley Periodicals, Inc.

Equilibrium and non equilibrium in fragmentation

International Nuclear Information System (INIS)

Dorso, C.O.; Chernomoretz, A.; Lopez, J.A.

2001-01-01

Full text: In this communication we present recent results regarding the interplay of equilibrium and non equilibrium in the process of fragmentation of excited finite Lennard Jones drops. Because the general features of such a potential resemble the ones of the nuclear interaction (fact that is reinforced by the similarity between the EOS of both systems) these studies are not only relevant from a fundamental point of view but also shed light on the problem of nuclear multifragmentation. We focus on the microscopic analysis of the state of the fragmenting system at fragmentation time. We show that the Caloric Curve (i e. the functional relationship between the temperature of the system and the excitation energy) is of the type rise plateau with no vapor branch. The usual rise plateau rise pattern is only recovered when equilibrium is artificially imposed. This result puts a serious question on the validity of the freeze out hypothesis. This feature is independent of the dimensionality or excitation mechanism. Moreover we explore the behavior of magnitudes which can help us determine the degree of the assumed phase transition. It is found that no clear cut criteria is presently available. (Author)

Relationships between moment magnitude and fault parameters: theoretical and semi-empirical relationships

Science.gov (United States)

Wang, Haiyun; Tao, Xiaxin

2003-12-01

Fault parameters are important in earthquake hazard analysis. In this paper, theoretical relationships between moment magnitude and fault parameters including subsurface rupture length, downdip rupture width, rupture area, and average slip over the fault surface are deduced based on seismological theory. These theoretical relationships are further simplified by applying similarity conditions and an unique form is established. Then, combining the simplified theoretical relationships between moment magnitude and fault parameters with seismic source data selected in this study, a practical semi-empirical relationship is established. The seismic source data selected is also to used to derive empirical relationships between moment magnitude and fault parameters by the ordinary least square regression method. Comparisons between semi-empirical relationships and empirical relationships show that the former depict distribution trends of data better than the latter. It is also observed that downdip rupture widths of strike slip faults are saturated when moment magnitude is more than 7.0, but downdip rupture widths of dip slip faults are not saturated in the moment magnitude ranges of this study.

Semiempirical method of determining flow coefficients for pitot rake mass flow rate measurements

Science.gov (United States)

Trefny, C. J.

1985-01-01

Flow coefficients applicable to area-weighted pitot rake mass flow rate measurements are presented for fully developed, turbulent flow in an annulus. A turbulent velocity profile is generated semiempirically for a given annulus hub-to-tip radius ratio and integrated numerically to determine the ideal mass flow rate. The calculated velocities at each probe location are then summed, and the flow rate as indicated by the rake is obtained. The flow coefficient to be used with the particular rake geometry is subsequently obtained by dividing the ideal flow rate by the rake-indicated flow rate. Flow coefficients ranged from 0.903 for one probe placed at a radius dividing two equal areas to 0.984 for a 10-probe area-weighted rake. Flow coefficients were not a strong function of annulus hub-to-tip radius ratio for rakes with three or more probes. The semiempirical method used to generate the turbulent velocity profiles is described in detail.

A fragment separator at LBL for beta-NMR experiment

International Nuclear Information System (INIS)

Matsuta, K.; Ozawa, A.; Nojiri, Y.; Minamisono, T.; Fukuda, M.; Kitagawa, A.; Ohtsubo, T.; Momota, S.; Fukuda, S.; Matsuo, Y.; Takechi, H.; Minami, I.; Sugimoto, K.; Tanihata, I.; Omata, K.; Alonso, J.R.; Krebs, G.F.; Symons, T.J.M.

1992-03-01

The Beam 44 fragment separator was built at the Bevalac of LBL for NMR studies of beta emitting nuclei. 37 K, 39 Ca, and 43 Ti fragments originating from 40 Ca and 46 Ti primary beams were separated by the separator for NMR studies on these nuclei. Nuclear spin polarization was created in 39 Ca and 43 Ti using the tilted foil technique (TFT), and the magnetic moment of 43 Ti was deduced. Fragment polarization was measured for 37 K and 39 Ca emitted to finite deflection angles. The Beam 44 fragment separator in combination with a proper polarization technique, such as TFT or fragment polarization, has been very effective for such NMR studies

Fragmentation in central collisions of heavy systems

International Nuclear Information System (INIS)

Claesson, G.; Doss, K.G.R.; Ferguson, R.

1987-01-01

One of the goals of heavy ion reaction studies is to understand the fragmentation of hot nuclei. The LBL/GSI Plastic Ball detector system has been used to achieve a very high solid angle for detection of light and medium-heavy fragments emitted in 200 Mev/A Au + Au and Au + Fe reactions. The simultaneous measurement of almost all of the nucleons and nuclei resulting from each collision allows an estimation of the total charged particle multiplicity and hence the impact parameter. By choosing subsets of the data corresponding to a peripheral or central collision, the assumptions inherent in various models of nuclear fragmentation can be tested. 3 refs., 3 figs

[Crop geometry identification based on inversion of semiempirical BRDF models].

Science.gov (United States)

Zhao, Chun-jiang; Huang, Wen-jiang; Mu, Xu-han; Wang, Jin-diz; Wang, Ji-hua

2009-09-01

With the rapid development of remote sensing technology, the application of remote sensing has extended from single view angle to multi-view angles. It was studied for the qualitative and quantitative effect of average leaf angle (ALA) on crop canopy reflected spectrum. Effect of ALA on canopy reflected spectrum can not be ignored with inversion of leaf area index (LAI) and monitoring of crop growth condition by remote sensing technology. Investigations of the effect of erective and horizontal varieties were conducted by bidirectional canopy reflected spectrum and semiempirical bidirectional reflectance distribution function (BRDF) models. The sensitive analysis was done based on the weight for the volumetric kernel (fvol), the weight for the geometric kernel (fgeo), and the weight for constant corresponding to isotropic reflectance (fiso) at red band (680 nm) and near infrared band (800 nm). By combining the weights of the red and near-infrared bands, the semiempirical models can obtain structural information by retrieving biophysical parameters from the physical BRDF model and a number of bidirectional observations. So, it will allow an on-site and non-sampling mode of crop ALA identification, which is useful for using remote sensing for crop growth monitoring and for improving the LAI inversion accuracy, and it will help the farmers in guiding the fertilizer and irrigation management in the farmland without a priori knowledge.

Production of light fragments in hA collisions at high energies

International Nuclear Information System (INIS)

Braun, M.A.; Vechernin, V.V.

1988-12-01

Production of fast relativistic light fragments in hA collisions at high energies is considered. Direct coalescence of produced nucleons into fragments is shown to be the main mechanism for fragment production. The influence of the nuclear field is small and is not described by the well-known Butler-Pearson formulas. The coalescence coefficient strongly depends on the angle and on the behaviour of the fragment wave function at small internucleon distances. (author). 14 refs, 7 figs

Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

DEFF Research Database (Denmark)

Svendsen, Casper Steinmann; Blædel, Kristoffer; Christensen, Anders S

2013-01-01

An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules such as ubiq......An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is parallelized. For large molecules...... such as ubiquitin a reasonable speedup (up to a factor of six) is observed for up to 16 cores. The SCF convergence is greatly improved by PCM for proteins compared to the gas phase....

Application of Semiempirical Methods to Transition Metal Complexes: Fast Results but Hard-to-Predict Accuracy.

KAUST Repository

Minenkov, Yury; Sharapa, Dmitry I.; Cavallo, Luigi

2018-01-01

-point energy evaluations on density functional theory (DFT) optimized conformers revealed pronounced deviations between semiempirical and DFT methods indicating fundamental difference in potential energy surfaces (PES). To identify the origin of the deviation

The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design

Czech Academy of Sciences Publication Activity Database

Lepšík, Martin; Řezáč, Jan; Kolář, Michal; Pecina, Adam; Hobza, Pavel; Fanfrlík, Jindřich

2013-01-01

Roč. 78, č. 9 (2013), s. 921-931 ISSN 2192-6506 R&D Projects: GA ČR GBP208/12/G016 Grant - others:Operational Program Research and Development for Innovations(XE) CZ 1.05/2.1.00/03/0058 Institutional support: RVO:61388963 Keywords : computational chemistry * drug design * noncovalent interactions * quantum chemistry * semiempirical calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.242, year: 2013

A semi-empirical analysis of strong-motion peaks in terms of seismic source, propagation path, and local site conditions

Science.gov (United States)

Kamiyama, M.; Orourke, M. J.; Flores-Berrones, R.

1992-09-01

A new type of semi-empirical expression for scaling strong-motion peaks in terms of seismic source, propagation path, and local site conditions is derived. Peak acceleration, peak velocity, and peak displacement are analyzed in a similar fashion because they are interrelated. However, emphasis is placed on the peak velocity which is a key ground motion parameter for lifeline earthquake engineering studies. With the help of seismic source theories, the semi-empirical model is derived using strong motions obtained in Japan. In the derivation, statistical considerations are used in the selection of the model itself and the model parameters. Earthquake magnitude M and hypocentral distance r are selected as independent variables and the dummy variables are introduced to identify the amplification factor due to individual local site conditions. The resulting semi-empirical expressions for the peak acceleration, velocity, and displacement are then compared with strong-motion data observed during three earthquakes in the U.S. and Mexico.

Phenomenological correlations in nuclear structure: An opportunity for nuclear astrophysics and a challenge to theory

International Nuclear Information System (INIS)

Casten, R.F.; Zamfir, N.V.

1992-01-01

Though it often appears daunting in its complexity, nuclear data frequently exhibits remarkable simplicities when viewed from the appropriate perspectives. This realization, which is becoming more and more apparent, is one of the fruits of the vast amount of nuclear data that has been accumulated over many years but, surprisingly, has never been completely digested. This emerging, unified, and simple macroscopic phenomenology, aided by microscopic underpinnings and physical arguments, appears in many guises and often simplifies semi-empirical estimates of structure far from stability in the critical realms where nuclear astrophysics takes place and where it is in need for improved nuclear input. The generality of simple phenomenological relationships begs both for a sound theoretical basis and for the advent of Radioactive Nuclear Beams so that the reliability of their extrapolations can be assessed and tested. These issues will be discussed, and illustrated with a number of specific examples

Modeling Optical Spectra of Large Organic Systems Using Real-Time Propagation of Semiempirical Effective Hamiltonians.

Science.gov (United States)

Ghosh, Soumen; Andersen, Amity; Gagliardi, Laura; Cramer, Christopher J; Govind, Niranjan

2017-09-12

We present an implementation of a time-dependent semiempirical method (INDO/S) in NWChem using real-time (RT) propagation to address, in principle, the entire spectrum of valence electronic excitations. Adopting this model, we study the UV/vis spectra of medium-sized systems such as P3B2 and f-coronene, and in addition much larger systems such as ubiquitin in the gas phase and the betanin chromophore in the presence of two explicit solvents (water and methanol). RT-INDO/S provides qualitatively and often quantitatively accurate results when compared with RT- TDDFT or experimental spectra. Even though we only consider the INDO/S Hamiltonian in this work, our implementation provides a framework for performing electron dynamics in large systems using semiempirical Hartree-Fock Hamiltonians in general.

Detection of fission fragments using thick samples in contact with solid state nuclear track detectors

International Nuclear Information System (INIS)

Lima, D.A. de; Martins, J.B.; Tavares, O.A.P.

1987-01-01

Whenever use is made of thick samples in contact with solid state nuclear track detectors for determining fission yields, one of the fundamental problems is the evaluation of the effective number of target nuclei which contributes to the fraction of the number of fission events that will be recorded. The evaluation of the effective number of target nuclei which contributes to recorded events is based on the effective thickness of the sample. A method for evaluating effective thickness of thick samples for binary fission modes, is presented. A cross section equation which takes into account all the necessary corrections due to fragment attenuation effects by a thick target for calculation induced fission yields, was obtained. (Author) [pt

Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis.

Science.gov (United States)

Kamachi, Takashi; Yoshizawa, Kazunari

2016-02-22

A conformational search program for finding low-energy conformations of large noncovalent complexes has been developed. A quantitatively reliable semiempirical quantum mechanical PM6-DH+ method, which is able to accurately describe noncovalent interactions at a low computational cost, was employed in contrast to conventional conformational search programs in which molecular mechanical methods are usually adopted. Our approach is based on the low-mode method whereby an initial structure is perturbed along one of its low-mode eigenvectors to generate new conformations. This method was applied to determine the most stable conformation of transition state for enantioselective alkylation by the Maruoka and cinchona alkaloid catalysts and Hantzsch ester hydrogenation of imines by chiral phosphoric acid. Besides successfully reproducing the previously reported most stable DFT conformations, the conformational search with the semiempirical quantum mechanical calculations newly discovered a more stable conformation at a low computational cost.

Voltammetric Thin-Layer Ionophore-Based Films: Part 2. Semi-Empirical Treatment.

Science.gov (United States)

Yuan, Dajing; Cuartero, Maria; Crespo, Gaston A; Bakker, Eric

2017-01-03

This work reports on a semiempirical treatment that allows one to rationalize and predict experimental conditions for thin-layer ionophore-based films with cation-exchange capacity read out with cyclic voltammetry. The transition between diffusional mass transport and thin-layer regime is described with a parameter (α), which depends on membrane composition, diffusion coefficient, scan rate, and electrode rotating speed. Once the thin-layer regime is fulfilled (α = 1), the membrane behaves in some analogy to a potentiometric sensor with a second discrimination variable (the applied potential) that allows one to operate such electrodes in a multianalyte detection mode owing to the variable applied ion-transfer potentials. The limit of detection of this regime is defined with a second parameter (β = 2) and is chosen in analogy to the definition of the detection limit for potentiometric sensors provided by the IUPAC. The analytical equations were validated through the simulation of the respective cyclic voltammograms under the same experimental conditions. While simulations of high complexity and better accuracy satisfactorily reproduced the experimental voltammograms during the forward and backward potential sweeps (companion paper 1), the semiempirical treatment here, while less accurate, is of low complexity and allows one to quite easily predict relevant experimental conditions for this emergent methodology.

The multi-step prompt particle emission from fission fragments

International Nuclear Information System (INIS)

Zhivopistsev, A.; Oprea, C.; Oprea, I.

2003-01-01

The purpose of this work is the study of non-equilibrium high-energy gamma emission from 252 Cf. In the framework of the formalism of statistical multi-step compound processes in nuclear reactions. A relation was found between the shape of the high-energy part of the gamma spectrum and different mechanisms of excitation of the fission fragments. Agreement with experimental data for different groups of fission fragments was obtained. The analysis of the experimental high-energy part of gamma spectra yields information about the mechanism of excitation of fission fragments. The influence of dissipation of the deformation excess on intrinsic excitation of fission fragments was studied. (authors)

An improved algorithm for MFR fragment assembly

International Nuclear Information System (INIS)

Kontaxis, Georg

2012-01-01

A method for generating protein backbone models from backbone only NMR data is presented, which is based on molecular fragment replacement (MFR). In a first step, the PDB database is mined for homologous peptide fragments using experimental backbone-only data i.e. backbone chemical shifts (CS) and residual dipolar couplings (RDC). Second, this fragment library is refined against the experimental restraints. Finally, the fragments are assembled into a protein backbone fold using a rigid body docking algorithm using the RDCs as restraints. For improved performance, backbone nuclear Overhauser effects (NOEs) may be included at that stage. Compared to previous implementations of MFR-derived structure determination protocols this model-building algorithm offers improved stability and reliability. Furthermore, relative to CS-ROSETTA based methods, it provides faster performance and straightforward implementation with the option to easily include further types of restraints and additional energy terms.

Semi-empirical modelization of charge funneling in a NP diode

International Nuclear Information System (INIS)

Musseau, O.

1991-01-01

Heavy ion interaction with a semiconductor generates a high density of electrons and holes pairs along the trajectory and in a space charge zone the collected charge is considerably increased. The chronology of this charge funneling is described in a semi-empirical model. From initial conditions characterizing the incident ion and the studied structure, it is possible to evaluate directly the transient current, the collected charge and the length of funneling with a good agreement. The model can be extrapolated to more complex structures

Comparison of a semi-empirical method with some model codes for gamma-ray spectrum calculation

Energy Technology Data Exchange (ETDEWEB)

Sheng, Fan; Zhixiang, Zhao [Chinese Nuclear Data Center, Beijing, BJ (China)

1996-06-01

Gamma-ray spectra calculated by a semi-empirical method are compared with those calculated by the model codes such as GNASH, TNG, UNF and NDCP-1. The results of the calculations are discussed. (2 tabs., 3 figs.).

Nuclear multifragmentation critical exponents

International Nuclear Information System (INIS)

Bauer, W.; Friedman, W.A.; Univ. of Wisconsin, Madison, WI

1995-01-01

In a recent Letter, cited in a reference, the EoS collaboration presented data of fragmentation of 1 A GeV gold nuclei incident on carbon. By analyzing moments of the fragment charge distribution, the authors claim to determine the values of the critical exponents γ, β, and τ for finite nuclei. These data represent a crucial step forward in the understanding of the physics of nuclear fragmentation. However, as shown in this paper, the analysis presented in the cited reference is not sufficient to support the claim that the critical exponents for nuclear fragmentation have been unambiguously determined

Semi-empirical formula for large pore-size estimation from o-Ps annihilation lifetime

International Nuclear Information System (INIS)

Nguyen Duc Thanh; Tran Quoc Dung; Luu Anh Tuyen; Khuong Thanh Tuan

2007-01-01

The o-Ps annihilation rate in large pore was investigated by the semi-classical approach. The semi-empirical formula that simply correlates between the pore size and the o-Ps lifetime was proposed. The calculated results agree well with experiment in the range from some angstroms to several ten nanometers size of pore. (author)

Semiempirical study of the interacting potentials for H+ + CO and H+ + NO+

International Nuclear Information System (INIS)

Canuto, S.

1983-01-01

Semiempirical INDO molecular orbital calculations of the minimum energy path for the formation of HCO + , HOC + , HNO ++ and HON ++ from the proton reactions H + + CO and H + + NO + are presented. Energy barriers, geometry relaxations and stabilization energies are given. Comparisons with ab initio SCF (Self-Consistent Field) and CI (Configuration Interaction) calculations are performed in order to assess the reliability of the calculations. (Author) [pt

Experimental and semi-empirical and DFT calculational studies on (E)-2-((2-morpholinoethyliminio)methyl)-4-nitrophenolate

International Nuclear Information System (INIS)

Alpaslan, Y. B.; Agar, E.; Ersahin, F.; Iskeleli, N. O.; Oeztekin, E.

2010-01-01

The molecular and crystal structure of the title compound, C 1 3H 1 7N 3 O 4 , has been determined by X-ray single crystal diffraction technique. The compound crystallizes in the triclinic, space group P-1 with unit cell dimensions a=5.3520(4), b=10.9011(8), c=12.4537(9)A 0 , Mr=279.30, V=675.91(9)A 03 , Z=2, R1=0.037 and wR 2 =0.097. The molecule adopts a zwitterionic form, stabilized by an intramolecular N + -H 2 O- type ionic weak hydrogen bond. The molecule pack via intermolecular N-H 2 O hydrogen bonds which, together with an intramolecular N + -H 2 O- bond. Calculational studies were performed by using AM1, PM3, semi-empirical and DFT methods. Geometry optimizations of compound have been carried out by using three semi-empirical methods and DFT method and bond lengths, bond and torsion angles of title compound have been determined. Atomic charge distribution have been obtained from DFT. In order to determine conformational flexibility on the molecule, molecular energy profile of the title compound was obtained with respect to the selected torsion angle T(C2-C1-C7-N1), which is varied from -180 0 degree to +180 0 degree in every 10 via PM3 semi-empirical method.

DLNA: a simple one-dimensional dynamical model as a possible interpretation of fragment size distribution in nuclear multifragmentation

International Nuclear Information System (INIS)

Lacroix, D.; Dayras, R.

1996-08-01

The possibility of interpreting multifragmentation data obtained from heavy-ion collisions at intermediate energies, by a new type of model: the DLNA (Dynamical Limited Nuclear Aggregation) is discussed. This model is connected to a more general class of models presenting Self-Organization Criticality (SOC). It is shown that the fragment size distributions exhibit a power-law dependence comparable to those obtained in second-order phase transition or percolation models. Fluctuations in term of scaled-factorial moments and cumulants are also studied: no signal of intermittency is seen. (K.A.)

Semi-empirical evaluation studies on PCMI for the Fugen fuel rod

International Nuclear Information System (INIS)

Domoto, Kazushige; Kaneko, Mitsunobu; Takeuchi, Kiyoshi.

1980-03-01

Fugen, 165 MWe prototype of a heavy water moderated boiling water cooled reactor, has been well operated since March 1979. In order to establish PCIOMR for Fugen fuels semi-empirical evaluation code to analyze PCMI during power transient of the fuel rod has been developed. In this paper, followings are described 1) general scope of the development work 2) description of the modelling 3) some results of analysis on out pile and in pile tests. (author)

Asia's nuclear future

International Nuclear Information System (INIS)

Overholt, W.H.

1977-01-01

The book is a collection of seven papers by five specialists--two political scientists; a sociologist; and two specialists in the interaction between science and international affairs. They share a disregard for conventional boundaries between disciplines and for the emphasis on method over substance which have tended to fragment knowledge into ever-smaller and smaller fragments. The papers are: The Next Phase in Nuclear Proliferation Research, L.A. Dunn and W.H. Overholt; China as a Nuclear Power, J. D. Pollack; Nuclear Arms and Japan, Herbert Passin; Nuclear Proliferation in Eastern Asia, W. H. Overholt; India's Nuclear Program: Decisions, Intent, and Policy, 1950 to 1976, Onkar Marwah; India, Pakistan, Iran--A Nuclear Proliferation Chain, L. A. Dunn; and A U.S. Nuclear Posture for Asia, W. H. Overholt

Applicability of special quasi-random structure models in thermodynamic calculations using semi-empirical Debye–Grüneisen theory

International Nuclear Information System (INIS)

Kim, Jiwoong

2015-01-01

In theoretical calculations, expressing the random distribution of atoms in a certain crystal structure is still challenging. The special quasi-random structure (SQS) model is effective for depicting such random distributions. The SQS model has not been applied to semi-empirical thermodynamic calculations; however, Debye–Grüneisen theory (DGT), a semi-empirical method, was used here for that purpose. The model reliability was obtained by comparing supercell models of various sizes. The results for chemical bonds, pair correlation, and elastic properties demonstrated the reliability of the SQS models. Thermodynamic calculations using density functional perturbation theory (DFPT) and DGT assessed the applicability of the SQS models. DGT and DFPT led to similar variations of the mixing and formation energies. This study provides guidelines for theoretical assessments to obtain the reliable SQS models and to calculate the thermodynamic properties of numerous materials with a random atomic distribution. - Highlights: • Various material properties are used to examine reliability of special quasi-random structures. • SQS models are applied to thermodynamic calculations by semi-empirical methods. • Basic calculation guidelines for materials with random atomic distribution are given.

Controlled isotropic fission fragment sources on the base of nuclear-physical facilities

International Nuclear Information System (INIS)

Sevast'yanov, V.D.; Maslov, G.N.

1995-01-01

Isotropic fission fragment sources (IFFS) are developed on the base of a neutron generator and pulse fast reactor. IFFS permit to calibrate fission fragment detectors. The IFFS consist of radiators with 235 U. The radiators are placed in a thermal neutron field of the neutron generator or in the reactor core center. The fragment activity is controlled by indications of an α-particle counter or by indications of a monitor of energy release in the core. 14 refs.; 1 fig.; 1 tab

Scission configurations and their implication in fission-fragment angular momenta

International Nuclear Information System (INIS)

Bonneau, L.; Quentin, P.; Mikhailov, I. N.

2007-01-01

The generation of sizable angular momenta in fragments formed in low-energy nuclear fission is described microscopically within the general quantum-mechanical framework of orientation pumping due to the Heisenberg uncertainty principle. Within this framework, we make use of the results of Skyrme-Hartree-Fock plus BCS-pairing calculations of fragment deformabilities to deduce a distribution of fission-fragment spins as a function of the fragment total excitation energy. We consider a fragmentation corresponding to a pair of deformed fragments and for which fission data are available. The properties of the scission configurations determine to a large extent the fission-fragment spins. This is why we pay particular attention to quantitatively defining the scission configurations and to studying the various implications of such a specific choice. A fair qualitative agreement with data is demonstrated and discussed within the limits of the simple scission-configuration model used here

Benchmarking semiempirical and DFT methods for the interaction of thiophene and diethyl sulfide molecules with a Ti(OH)4(H2O) cluster.

Science.gov (United States)

Vorontsov, Alexander V; Smirniotis, Panagiotis G

2017-08-01

Semiempirical methods pm6 and pm7 as well as density functional theory functionals exchange LSDA, exchange-correlation PW91 and PBE, hybrid B3LYP1 and PBE0 were compared for energy and geometry of thiophene, diethyl sulfide (DES) molecules and their binding to a frozen Ti(OH) 4 (H 2 O) complex having one coordinatively unsaturated Ti 5C site representing small fragment of TiO 2 anatase (001) surface. PBE0/6-31G(d) with DFT-D3 dispersion correction was the best method for description of thiophene and DES molecules geometries as comparison with experimental data demonstrated. Semiempirical methods pm6 and pm7 resulted in only three of four possible binding configurations of thiophene with the Ti(OH) 4 (H 2 O) complex while pm7 described correctly the enthalpy and all configurations of DES binding with the Ti(OH) 4 (H 2 O) complex. SBKJC pseudopotential and LSDA with and without dispersion correction produced flawed results for many configurations. PBE0 and PBE with and without dispersion correction and PW91 with 6-31G(d) basis set systematically produced dependable results for thiophene and DES binding to the Ti(OH) 4 (H 2 O) complex. PBE0-D3/6-31G(d), B3LYP1-D3/6-31G(d), and PBE-D3/6-31G(d) gave best match of binding energy for thiophene while PBE0/6-31G(d) gave best match of DES binding energy as comparison with CCSD(T) energy demonstrated. On the basis of the superior results obtained with PBE0/6-31G(d), it is the recommended method for modeling of adsorption over TiO 2 surfaces. Such a conclusion is in agreement with recent literature.

Holocene sea level, a semi-empirical contemplation

Science.gov (United States)

Bittermann, K.; Kemp, A.; Vermeer, M.; Rahmstorf, S.

2017-12-01

Holocene eustatic sea level from approximately -10,000-1800 CE was characterized by an increase of about 60m, with the rate progressively slowing down until sea level almost stabilizes between 500-1800 CE. Global and northern-hemisphere temperatures rose from the last glacial termination until the `Holocene Optimum'. From ­­there, up to the start of the recent anthropogenic rise, they almost steadily decline. How are the sea-level and temperature evolutions linked? We investigate this with semi-empirical sea-level models. We found that, due to the nature of Milankovitch forcing, northern-hemisphere temperature (we used the Greenland temperature by Vinther et al., 2009) is a better model driver than global mean temperature because the evolving mass of northern-hemisphere land ice was the dominant cause of Holocene global sea-level trends. The adjustment timescale for this contribution is 1200 years (900-1500 years; 90% confidence interval). To fit the observed sea-level history, the model requires a small additional constant rate (Bittermann 2016). This rate turns out to be of the same order of magnitude as reconstructions of Antarctic sea-level contributions (Briggs et al. 2014, Golledge et al. 2014). In reality this contribution is unlikely to be constant but rather has a dominant timescale that is large compared to the time considered. We thus propose that Holocene sea level can be described by a linear combination of a temperature driven rate, which becomes negative in the late Holocene (as Northern Hemisphere ice masses are diminished), and a positive, approximately constant term (possibly from Antarctica), which starts to dominate from the middle of the Holocene until the start of industrialization. Bibliography: Bittermann, K. 2016. Semi-empirical sea-level modelling. PhD Thesis University of Potsdam. Briggs, R.D., et al. 2014. A data-constrained large ensemble analysis of Antarctic evolution since the Eemian. Quaternary science reviews, 103, 91

Rotating bubble and toroidal nuclei and fragmentation

International Nuclear Information System (INIS)

Royer, G.; Haddad, F.; Jouault, B.

1995-01-01

The energy of rotating bubble and toroidal nuclei predicted to be formed in central heavy-ion collisions at intermediate energies is calculated within the generalized rotating liquid drop model. The potential barriers standing in these exotic deformation paths are compared with the three dimensional and plane fragmentation barriers. In the toroidal deformation path of the heaviest systems exists a large potential pocket localised below the plane fragmentation barriers. This might allow the temporary survival of heavy nuclear toroids before the final clusterization induced by the surface and proximity tension. (author)

Revisiting the even-odd staggering in fission-fragment yields

International Nuclear Information System (INIS)

Caamano, M.; Rejmund, F.; Schmidt, K. H.

2010-01-01

The even-odd staggering observed in the experimental fission-fragment nuclear-charge yields is investigated over a wide systematics of fission fragments measured at Lohengrin in direct kinematics and at GSI in inverse kinematics. The general increase of the even-odd staggering in the fission-fragment charge yields towards asymmetric charge splits is explained by the absorption of the unpaired nucleons by the heavy fragment. As a consequence, the well established trend of even-odd staggering in the fission fragment charge yields to decrease with the fissility is attributed in part to the asymmetry evolution of the charge distribution. This interpretation is strongly supported by the data measured at GSI, which cover the complete charge distribution and include precise yields at symmetry. They reveal that the even-odd effect around symmetry remains constant over a large range of fissility. (authors)

High-throughput fragment screening by affinity LC-MS.

Science.gov (United States)

Duong-Thi, Minh-Dao; Bergström, Maria; Fex, Tomas; Isaksson, Roland; Ohlson, Sten

2013-02-01

Fragment screening, an emerging approach for hit finding in drug discovery, has recently been proven effective by its first approved drug, vemurafenib, for cancer treatment. Techniques such as nuclear magnetic resonance, surface plasmon resonance, and isothemal titration calorimetry, with their own pros and cons, have been employed for screening fragment libraries. As an alternative approach, screening based on high-performance liquid chromatography separation has been developed. In this work, we present weak affinity LC/MS as a method to screen fragments under high-throughput conditions. Affinity-based capillary columns with immobilized thrombin were used to screen a collection of 590 compounds from a fragment library. The collection was divided into 11 mixtures (each containing 35 to 65 fragments) and screened by MS detection. The primary screening was performed in 3500 fragments per day). Thirty hits were defined, which subsequently entered a secondary screening using an active site-blocked thrombin column for confirmation of specificity. One hit showed selective binding to thrombin with an estimated dissociation constant (K (D)) in the 0.1 mM range. This study shows that affinity LC/MS is characterized by high throughput, ease of operation, and low consumption of target and fragments, and therefore it promises to be a valuable method for fragment screening.

Mass distribution and multiple fragmentation events in high energy cluster-cluster collisions: evidence for a predicted phase transition

International Nuclear Information System (INIS)

Farizon, B.; Farizon, M.; Gaillard, M.J.; Genre, R.; Louc, S.; Martin, J.; Senn, G.; Scheier, P.; Maerk, T.D.

1996-09-01

Fragment size distributions including multiple fragmentation events have been measured for high energy H 25 + cluster ions (60 keV/amu) colliding with a neutral C 60 target. In contrast to earlier collision experiments with a helium target the present studies do not show a U-shaped fragment mass distribution, but a single power-law falloff with increasing fragment mass. This behaviour is similar to what is known for the intermediate regime in nuclear collision physics and thus confirms a recently predicted scaling from nuclear to molecular collisions

Centrifugal Fragmentation of a Dinuclear System in the Process of Its Evolution to the Compound Nucleus

CERN Document Server

Volkov, V V

2005-01-01

The physical content of centrifugal fragmentation is discussed. It is a specific nuclear process which is realized in the evolution of a dinuclear system into a compound nucleus at large angular momenta and large mass asymmetry of the system. The dinuclear system concept which describes the process of the compound nucleus formation in heavy ion reactions predicts the possibility of centrifugal fragmentation. Experimental data giving evidence of the realization of this nuclear process are given. A possible scheme of the centrifugal fragmentation model is discussed.

Centrifugal fragmentation of a dinuclear system in the process of its evolution to the compound nucleus

International Nuclear Information System (INIS)

Volkov, V.V.

2005-01-01

The physical content of centrifugal fragmentation is discussed. It is a specific nuclear process which is realized in the evolution of a dinuclear system into a compound nucleus at large angular momenta and large mass asymmetry of the system. The dinuclear system concept which describes the process of the compound nucleus formation in heavy ion reactions predicts the possibility of centrifugal fragmentation. Experimental data giving evidence of the realization of this nuclear process are given. A possible scheme of the centrifugal fragmentation model is discussed

Isotopic dependence of the fragments' internal temperatures determined from multifragment emission

Science.gov (United States)

Souza, S. R.; Donangelo, R.

2018-05-01

The internal temperatures of fragments produced by an excited nuclear source are investigated by using the microcanonical version of the statistical multifragmentation model, with discrete energy. We focus on the fragments' properties at the breakup stage, before they have time to deexcite by particle emission. Since the adopted model provides the excitation energy distribution of these primordial fragments, it allows one to calculate the temperatures of different isotope families and to make inferences about the sensitivity to their isospin composition. It is found that, due to the functional form of the nuclear density of states and the excitation energy distribution of the fragments, proton-rich isotopes are hotter than neutron-rich isotopes. This property has been taken to be an indication of earlier emission of the former from a source that cools down as it expands and emits fragments. Although this scenario is incompatible with the prompt breakup of a thermally equilibrated source, our results reveal that the latter framework also provides the same qualitative features just mentioned. Therefore they suggest that this property cannot be taken as evidence for nonequilibrium emission. We also found that this sensitivity to the isotopic composition of the fragments depends on the isospin composition of the source, and that it is weakened as the excitation energy of the source increases.

A Semiempirical Model for Sigma-Phase Precipitation in Duplex and Superduplex Stainless Steels

Science.gov (United States)

Ferro, P.; Bonollo, F.

2012-04-01

Sigma phase is known to reduce the mechanical properties and corrosion resistance of duplex and superduplex stainless steels. Therefore, heat treatments and welding must be carefully performed so as to avoid the appearance of such a detrimental phase, and clearly, models suitable to faithfully predict σ-phase precipitation are very useful tools. Most fully analytical models are based on thermodynamic calculations whose agreement with experimental results is not always good, so that such models should be used for qualitative purposes only. Alternatively, it is possible to exploit semiempirical models, where time-temperature-transformation (TTT) diagrams are empirically determined for a given alloy and the continuous-cooling-transformation (CCT) diagram is calculated from the TTT diagram. In this work, a semiempirical model for σ-phase precipitation in duplex and superduplex stainless steels, under both isothermal and unisothermal conditions, is proposed. Model parameters are calculated from empirical data and CCT diagrams are obtained by means of the additivity rule, whereas experimental measurements for model validation are taken from the literature. This model gives a satisfactory estimation of σ-phase precipitates during both isothermal aging and the continuous cooling process.

Measurement of the energy spectrum of {sup 252}Cf fission fragments using nuclear track detectors and digital image processing

Energy Technology Data Exchange (ETDEWEB)

Espinosa, G.; Golzarri, J. I. [UNAM, Instituto de Fisica, Circuito Exterior, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Castano, V. M. [UNAM, Centro de Fisica Aplicada y Tecnologia Avanzada, Boulevard Juriquilla 3001, Santiago de Queretaro, 76230 Queretaro (Mexico); Gaso, I. [ININ, Carretera Mexico-Toluca s/n, Ocoyoacac 52750, Estado de Mexico (Mexico); Mena, M.; Segovia, N. [UNAM, Instituto de Geofisica, Circuito de la Investigacion Cientifica, Ciudad Universitaria, 04510 Mexico D. F. (Mexico)

2010-02-15

The energy spectrum of {sup 252}Cf fission fragments was measured using nuclear track detectors and digital image analysis system. The detection material was fused silica glass. The detectors were chemically etched in an 8% HF solution. After experimenting with various etching time, it was found that the best resolution of the track diameter distribution was obtained after 30 minutes of etching. Both Gaussian and Lorentzian curves were fit to the track diameter distribution histograms and used to determine the basic parameters of the distribution of the light (N{sub L}) and heavy (N{sub H}) formed peaks and the minimum of the central valley (N{sub V}). Advantages of the method presented here include the fully-automated analysis process, the low cost of the nuclear track detectors and the simplicity of the nuclear track method. The distribution resolution obtained by this method is comparable with the resolution obtained by electronic analysis devices. The descriptive variables calculated were very close to those obtained by other methods based on the use of semiconductor detectors. (Author)

From ground state to fission fragments: A complex, multi-dimensional multi-path problem

International Nuclear Information System (INIS)

Moeller, P.; Nix, J.R.; Swiatecki, W.J.

1992-01-01

Experimental results on the fission properties of nuclei close to 264 Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus 258 Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas 256 Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to 132 Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of 264 Fm

An Improved Semi-Empirical Model for Radar Backscattering from Rough Sea Surfaces at X-Band

Directory of Open Access Journals (Sweden)

Taekyeong Jin

2018-04-01

Full Text Available We propose an improved semi-empirical scattering model for X-band radar backscattering from rough sea surfaces. This new model has a wider validity range of wind speeds than does the existing semi-empirical sea spectrum (SESS model. First, we retrieved the small-roughness parameters from the sea surfaces, which were numerically generated using the Pierson-Moskowitz spectrum and measurement datasets for various wind speeds. Then, we computed the backscattering coefficients of the small-roughness surfaces for various wind speeds using the integral equation method model. Finally, the large-roughness characteristics were taken into account by integrating the small-roughness backscattering coefficients multiplying them with the surface slope probability density function for all possible surface slopes. The new model includes a wind speed range below 3.46 m/s, which was not covered by the existing SESS model. The accuracy of the new model was verified with two measurement datasets for various wind speeds from 0.5 m/s to 14 m/s.

Normalization of time-series satellite reflectance data to a standard sun-target-sensor geometry using a semi-empirical model

Science.gov (United States)

Zhao, Yongguang; Li, Chuanrong; Ma, Lingling; Tang, Lingli; Wang, Ning; Zhou, Chuncheng; Qian, Yonggang

2017-10-01

Time series of satellite reflectance data have been widely used to characterize environmental phenomena, describe trends in vegetation dynamics and study climate change. However, several sensors with wide spatial coverage and high observation frequency are usually designed to have large field of view (FOV), which cause variations in the sun-targetsensor geometry in time-series reflectance data. In this study, on the basis of semiempirical kernel-driven BRDF model, a new semi-empirical model was proposed to normalize the sun-target-sensor geometry of remote sensing image. To evaluate the proposed model, bidirectional reflectance under different canopy growth conditions simulated by Discrete Anisotropic Radiative Transfer (DART) model were used. The semi-empirical model was first fitted by using all simulated bidirectional reflectance. Experimental result showed a good fit between the bidirectional reflectance estimated by the proposed model and the simulated value. Then, MODIS time-series reflectance data was normalized to a common sun-target-sensor geometry by the proposed model. The experimental results showed the proposed model yielded good fits between the observed and estimated values. The noise-like fluctuations in time-series reflectance data was also reduced after the sun-target-sensor normalization process.

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions

Science.gov (United States)

Burns, Lori A.; Faver, John C.; Zheng, Zheng; Marshall, Michael S.; Smith, Daniel G. A.; Vanommeslaeghe, Kenno; MacKerell, Alexander D.; Merz, Kenneth M.; Sherrill, C. David

2017-10-01

Accurate potential energy models are necessary for reliable atomistic simulations of chemical phenomena. In the realm of biomolecular modeling, large systems like proteins comprise very many noncovalent interactions (NCIs) that can contribute to the protein's stability and structure. This work presents two high-quality chemical databases of common fragment interactions in biomolecular systems as extracted from high-resolution Protein DataBank crystal structures: 3380 sidechain-sidechain interactions and 100 backbone-backbone interactions that inaugurate the BioFragment Database (BFDb). Absolute interaction energies are generated with a computationally tractable explicitly correlated coupled cluster with perturbative triples [CCSD(T)-F12] "silver standard" (0.05 kcal/mol average error) for NCI that demands only a fraction of the cost of the conventional "gold standard," CCSD(T) at the complete basis set limit. By sampling extensively from biological environments, BFDb spans the natural diversity of protein NCI motifs and orientations. In addition to supplying a thorough assessment for lower scaling force-field (2), semi-empirical (3), density functional (244), and wavefunction (45) methods (comprising >1M interaction energies), BFDb provides interactive tools for running and manipulating the resulting large datasets and offers a valuable resource for potential energy model development and validation.

Centrifugal fragmentation of a dinuclear system in the process of its evolution toward a compound nucleus

International Nuclear Information System (INIS)

Volkov, V. V.

2007-01-01

The centrifugal fragmentation of a dinuclear system in the process of evolution toward a compound nucleus is examined. If the angular momentum in the collision of primary nuclei is quite high, centrifugal forces become dominant at the final stage of the evolution of the dinuclear system formed, causing the decay of this dinuclear system to two strongly asymmetric nuclear fragments. Experimental data in which this specific nuclear process manifests itself are presented. Centrifugal fragmentation makes it possible to reveal the cluster facet of the evolution of a dinuclear system toward a compound nucleus. The possibility of this fragmentation process is a logical consequence of the concept of a dinuclear system for the complete fusion of nuclei

Aircraft directional stability and vertical tail design: A review of semi-empirical methods

Science.gov (United States)

Ciliberti, Danilo; Della Vecchia, Pierluigi; Nicolosi, Fabrizio; De Marco, Agostino

2017-11-01

Aircraft directional stability and control are related to vertical tail design. The safety, performance, and flight qualities of an aircraft also depend on a correct empennage sizing. Specifically, the vertical tail is responsible for the aircraft yaw stability and control. If these characteristics are not well balanced, the entire aircraft design may fail. Stability and control are often evaluated, especially in the preliminary design phase, with semi-empirical methods, which are based on the results of experimental investigations performed in the past decades, and occasionally are merged with data provided by theoretical assumptions. This paper reviews the standard semi-empirical methods usually applied in the estimation of airplane directional stability derivatives in preliminary design, highlighting the advantages and drawbacks of these approaches that were developed from wind tunnel tests performed mainly on fighter airplane configurations of the first decades of the past century, and discussing their applicability on current transport aircraft configurations. Recent investigations made by the authors have shown the limit of these methods, proving the existence of aerodynamic interference effects in sideslip conditions which are not adequately considered in classical formulations. The article continues with a concise review of the numerical methods for aerodynamics and their applicability in aircraft design, highlighting how Reynolds-Averaged Navier-Stokes (RANS) solvers are well-suited to attain reliable results in attached flow conditions, with reasonable computational times. From the results of RANS simulations on a modular model of a representative regional turboprop airplane layout, the authors have developed a modern method to evaluate the vertical tail and fuselage contributions to aircraft directional stability. The investigation on the modular model has permitted an effective analysis of the aerodynamic interference effects by moving, changing, and

Multiphoton above threshold effects in strong-field fragmentation

DEFF Research Database (Denmark)

B Madsen, C; Anis, F; B Madsen, L

2012-01-01

We present a study of multiphoton dissociative ionization from molecules. By solving the time-dependent Schrödinger equation for H2+ and projecting the solution onto double continuum scattering states, we observe the correlated electron-nuclear ionization dynamics in detail. We show—for the first...... time—how multiphoton structure prevails as long as one accounts for the energies of all the fragments. Our current work provides a new avenue to analyze strong-field fragmentation that leads to a deeper understanding of the correlated molecular dynamics....

Newly developed semi-empirical formulas for (p, α) at 17.9 MeV and ...

Indian Academy of Sciences (India)

Home; Journals; Pramana – Journal of Physics; Volume 74; Issue 6. Newly developed semi-empirical formulas for (, ) at 17.9 MeV and (, ) at 22.3 MeV reaction cross-sections. Eyyup Tel Abdullah Aydin E Gamze Aydin Abdullah Kaplan Ömer Yavaş İskender A Reyhancan. Research Articles Volume 74 Issue 6 June ...

Studying multifragmentation dynamics at intermediate energies using two-fragment correlations

International Nuclear Information System (INIS)

Sangster, T.C.; Britt, H.C.; Namboodiri, M.N.

1993-01-01

One of the most challenging topics in Nuclear Physics is the multifragmentation at moderate excitation energies in large nuclear systems. Although the idea that multifragmentation is analogous to a liquid-gas like phase transition is not new, it has only been recently that highly exclusive experimental measurements have been coupled with sophisticated theoretical models like QMD and BUU/VUU to explore reaction dynamics and the process of fragment formation. Indeed, much of what is known about multifragmentation has resulted from the study of complex correlations present in both the experimental data and theoretical calculations. One of the most crucial questions in the ongoing debate concerning the liquid-gas analogy is the differentiation between simultaneous and sequential fragment emission. Clearly, the phase transition analogy breaks down if fragments are emitted sequentially as in an evaporative process. There have been a number of two-fragment correlation results published recently (including those presented in this paper) which attempt to put limits on the emission timescale using three-body Coulomb trajectory calculations with explicit emission times for sequential decays from a fixed source density. These results have been generally consistent and indicate that intermediate mass fragment (IMF) emission is nearly simultaneous in medium energy heavy ion collisions. Only very recently have calculations been performed which approach this question from the other extreme: simultaneous emission from a variable density source. When considered together, these results argue favorably for a simultaneous multifragmentation. In this paper the authors present comprehensive results on two-fragment correlations for heavy systems at intermediate energies

Apoptotic DNA Degradation into Oligonucleosomal Fragments, but Not Apoptotic Nuclear Morphology, Relies on a Cytosolic Pool of DFF40/CAD Endonuclease*

Science.gov (United States)

Iglesias-Guimarais, Victoria; Gil-Guiñon, Estel; Gabernet, Gisela; García-Belinchón, Mercè; Sánchez-Osuna, María; Casanelles, Elisenda; Comella, Joan X.; Yuste, Victor J.

2012-01-01

Apoptotic cell death is characterized by nuclear fragmentation and oligonucleosomal DNA degradation, mediated by the caspase-dependent specific activation of DFF40/CAD endonuclease. Here, we describe how, upon apoptotic stimuli, SK-N-AS human neuroblastoma-derived cells show apoptotic nuclear morphology without displaying concomitant internucleosomal DNA fragmentation. Cytotoxicity afforded after staurosporine treatment is comparable with that obtained in SH-SY5Y cells, which exhibit a complete apoptotic phenotype. SK-N-AS cell death is a caspase-dependent process that can be impaired by the pan-caspase inhibitor q-VD-OPh. The endogenous inhibitor of DFF40/CAD, ICAD, is correctly processed, and dff40/cad cDNA sequence does not reveal mutations altering its amino acid composition. Biochemical approaches show that both SH-SY5Y and SK-N-AS resting cells express comparable levels of DFF40/CAD. However, the endonuclease is poorly expressed in the cytosolic fraction of healthy SK-N-AS cells. Despite this differential subcellular distribution of DFF40/CAD, we find no differences in the subcellular localization of both pro-caspase-3 and ICAD between the analyzed cell lines. After staurosporine treatment, the preferential processing of ICAD in the cytosolic fraction allows the translocation of DFF40/CAD from this fraction to a chromatin-enriched one. Therefore, the low levels of cytosolic DFF40/CAD detected in SK-N-AS cells determine the absence of DNA laddering after staurosporine treatment. In these cells DFF40/CAD cytosolic levels can be restored by the overexpression of their own endonuclease, which is sufficient to make them proficient at degrading their chromatin into oligonucleosome-size fragments after staurosporine treatment. Altogether, the cytosolic levels of DFF40/CAD are determinants in achieving a complete apoptotic phenotype, including oligonucleosomal DNA degradation. PMID:22253444

Fragmentation of water on swift {sup 3}He{sup 2+} ion impact

Energy Technology Data Exchange (ETDEWEB)

Sabin, John R. [Quantum Theory Project, Departments of Chemistry and Physics, P.O. Box 118435, University of Florida, Gainesville, FL 32611-8435 (United States); Institut for Fysik og Kemi, Suddansk Universitet, 5230 Odense M (Denmark)], E-mail: sabin@qtp.ufl.edu; Cabrerra-Trujillo, Remigio [Instituto de Ciencias Fisicas, Universidad Nacional Autonoma de Mexico, Apartado Postal 48-3, Cuernavaca, Morelos 62251 (Mexico); Stolterfoht, Nikolaus [Hahn-Meitner Institut, Glienickerstrasse 100, D-14109 Berlin (Germany); Deumens, Erik; Ohrn, Yngve [Quantum Theory Project, Departments of Chemistry and Physics, P.O. Box 118435, University of Florida, Gainesville, FL 32611-8435 (United States)

2009-01-15

Charge exchange and fragmentation are the usual results in ion-molecule collision systems, and the specifics of the fragmentation process determine the chemical destiny of the target system. In this paper, we report recent progress on calculations of the fragmentation patterns for the model system He{sup 2+} + H{sub 2}O for projectile energies of a few keV. The calculations are obtained using the electron-nuclear dynamics (END) method for solution of the time-dependent Schroedinger equation.

Shell closure at the touching point of nuclear fragments

International Nuclear Information System (INIS)

Poenaru, D.N.; Greiner, W.; Gherghescu, R.A.

1998-01-01

Shell correction energy of the fission fragments remains practically unchanged when the separation distance increases from the sum of their radii up to infinity. The variation with mass asymmetry of the total deformation energy at the touching point configuration shows the valleys corresponding to different decay modes, which are produced when the two proton and/or the two neutron numbers are magic or almost magic. We present a contour plot of the deformation energy of the proton-rich α-emitter 106 Te, showing for the first time the α-decay valley. Different valleys mainly due to the doubly magic nuclei 100,132 Sn, 208 Pb, and other magic numbers, are illustrated by plotting the deformation energy at the touching point versus the proton number of the fragment, for the following parent nuclei: 106 Te; 116 Ce; 212 Po; 228 Th; 258 Fm, and 264 Fm. (author). Letter-to-the-editor

Process of Fragment-Based Lead Discovery—A Perspective from NMR

Directory of Open Access Journals (Sweden)

Rongsheng Ma

2016-07-01

Full Text Available Fragment-based lead discovery (FBLD has proven fruitful during the past two decades for a variety of targets, even challenging protein–protein interaction (PPI systems. Nuclear magnetic resonance (NMR spectroscopy plays a vital role, from initial fragment-based screening to lead generation, because of its power to probe the intrinsically weak interactions between targets and low-molecular-weight fragments. Here, we review the NMR FBLD process from initial library construction to lead generation. We describe technical aspects regarding fragment library design, ligand- and protein-observed screening, and protein–ligand structure model generation. For weak binders, the initial hit-to-lead evolution can be guided by structural information retrieved from NMR spectroscopy, including chemical shift perturbation, transferred pseudocontact shifts, and paramagnetic relaxation enhancement. This perspective examines structure-guided optimization from weak fragment screening hits to potent leads for challenging PPI targets.

About total kinetic energy distribution between fragments of binary fission

International Nuclear Information System (INIS)

Khugaev, A.V.; Koblik, Yu.N.; Pikul, V.P.; Ioannou, P.; Dimovasili, E.

2002-01-01

At the investigation of binary fission reactions one of the main characteristic of process is total kinetic energy (TKE) of fission fragments and it distribution between them. From the values of these characteristics it is possible to extract the information about structure of fission fragments in the break up point of initial fissionable nuclear system. In our work TKE dependence from the deformation parameters of shape and density distribution of charge in the fission fragments are investigated. In the end of paper some generalizations of obtaining results are carried out and presented in the form of tables and figures

Energy loss, range and fluence distributions, total reaction and projectile fragment production cross sections for proton-nucleus and nucleus-nucleus interactions

International Nuclear Information System (INIS)

Sihver, L.; Kanai, T.

1992-07-01

We have developed a computer code for calculations of energy loss (dE/dx) and range distributions for heavy ions in any media. The results from our calculations are in very good agreement with previous calculations. We have developed semiempirical total reaction cross section formulae for proton-nucleus (with Z p ≤26) and nucleus-nucleus (with Z p and Z t ≤26) reactions. These formulae apply for incident energies above 15 MeV and 100 MeV/nucleon respectively. From the total reaction cross sections, we can calculate the mean free paths and the fluence distributions of protons and heavy ions in any media. We have compared all the calculated reaction cross sections and the mean free paths with experimental data, and the agreement is good. We have also constructed a procedure for calculating projectile fragment production cross sections, by scaling semiempirical proton-nucleus partial cross section systematics. The scaling is performed using a scaling parameter deduced from our reaction cross sections formulae, and additional enhancements factors. All products with atomic number ranging from that of the projectile (Z p ) down to Z=2 can be calculated. The agreement between the calculated cross sections and the experimental data is better than earlier published results. (author)

Energy-weighted moments in the problems of fragmentation

International Nuclear Information System (INIS)

Kuz'min, V.A.

1986-01-01

The problem of fragmentation of simple nuclear states on the complex ones is reduced to real symmetrical matrix eigenvectors and eigenvalue problem. Based on spectral decomposition of this matrix the simple and economical from computing point of view algorithm to calculate energetically-weighted strength function moments is obtained. This permitted one to investigate the sensitivity of solving the fragmentation problem to reducing the basis of complex states. It is shown that the full width of strength function is determined only by the complex states connected directly with the simple ones

Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I

DEFF Research Database (Denmark)

Wilczura-Wachnik, H.; Jonsdottir, Svava Osk

2003-01-01

for the repeating unit of the polymer, the intermolecular interaction energies between the solvent molecule and the polymer were simulated. The semiempirical quantum mechanical method AM1, and a method for sampling relevant internal orientations for a pair of molecules developed previously were used. Interaction...

Complete photo-fragmentation of the deuterium molecule

International Nuclear Information System (INIS)

Weber, Thorsten; Czasch, Achim O.; Jagutzki, Ottmar; Muller, Alkis K.; Mergel, Volker; Kheifets, A.; Rotenberg, Eli; Meigs, George; Prior, Mike H.; Daveau, Sebastian; Landers, Allen; Cocke, C.L.; Osipov, Timur; Diez Muino, Ricardo; Schmidt-Bocking, Horst; Dorner, Reinhard

2004-01-01

All properties of molecules, from binding and excitation energies to their geometry, are determined by the highly correlated initial state wavefunction of the electrons and nuclei. Perhaps surprisingly, details of these correlations can be revealed by studying the break-up of these systems into their constituents. The fragmentation might be initiated by the absorption of a single photon [1, 2, 3, 4, 5, 6], collision with a charged particle [7, 8] or exposure to a strong laser pulse [9, 10]. If the exciting interaction is sufficiently understood, one can use the fragmentation process as a tool to learn about the bound initial state [11, 12]. However, often the interaction and the fragment motions pose formidable challenges to quantum theory [13, 14, 15]. Here we report the coincident measurement of the momenta of both nuclei and both electrons from the single photon induced fragmentation of the deuterium molecule. The results reveal that the correlated motion of the electrons is strongly dependent on the inter-nuclear separation in the molecular ground state at the instant of photon absorption

Studies of complex fragment emission in heavy ion reactions: Progress report, September 1, 1987--August 31, 1988

International Nuclear Information System (INIS)

Sobotka, L.G.

1988-01-01

The production of large fragments, fragments with mass between light particles and fission fragments, in intermediate and high energy nuclear reactions has fostered the proposal of a number of novel reaction mechanisms. These include liquid-vapor equilibrium and nuclear shattering. Temporarily left in the wake of these exciting proposed mechanisms was the old standard, statistical decay of compound nuclei. To be sure, the standard treatment of compound nucleus decay did not deal with large fragment production. However, this emission was not due to any fundamental deficiency of statistical models, but rather an uncertainty concerning exactly how to splice large fragment emission into statistical models. A large portion of our program deals with this problem. Specifically, by studying the yields of large fragments produced in sufficiently low energy reactions we are attempting to deduce the asymmetry and l-wave dependence of large fragment emission from compound nuclear intermediates. This, however, is only half of the problem. Since the novel mechanisms proposed for large fragment emission were spawned by intermediate and high energy reaction data, we must also realize the relevance of the compound nucleus mechanisms at high energies. It is not unreasonable to suspect that compound nucleus-like objects are formed with less than complete momentum transfer and perhaps less than complete mass transfer. Therefore the study of large fragment production in low energy reactions should go hand in hand with the study of energy, mass, and angular momentum transfer in incomplete fusion and non-compound reactions. This thread joins the apparently divergent subjects covered in this report

On spallation and fragmentation of heavy ions at intermediate energies

International Nuclear Information System (INIS)

Musulmanbekov, G.; Al-Haidary, A.

2002-01-01

A new code for simulation of spallation and (multi)fragmentation of nuclei in proton and nucleus induced collisions at intermediate and high energies is developed. The code is a combination of modified intranuclear cascade model with traditional fission - evaporation part and multifragmentation part based on lattice representation of nuclear structure and percolation approach. The production of s-wave resonances and formation time concept included into standard intranuclear cascade code provides correct calculation of excitation energy of residues. This modified cascade code served as a bridge between low and high energy model descriptions of nucleus-nucleus collisions. A good agreement with experiments has been obtained for multiparticle production at intermediate and relatively high energies. Nuclear structure of colliding nuclei is represented as face centered cubic lattice. This representation, being isomorphic to the shell model of nuclear structure, allows to apply percolation approach for nuclear fragmentation. The offered percolation model includes both site and bond percolation. Broken sites represent holes left by nucleons knocked out at cascade state. Therefore, in the first cascade stage mutual rescattering of the colliding nuclei results in knocking some nucleons out of them. After this fast stage paltrily destruct and excited residues remain. On the second stage residual nuclei either evaporate nucleons and light nuclei up to alpha-particles or fragment into pieces with intermediate masses. The choice depends on residue's destruction degree. At low excitation energy and small destruction of the residue the evaporation and fission mechanisms are preferable. The more excitation energy and destruction the more probability of (multi)fragmentation process. Moreover, the more destruction degree of the residual the more the site percolation probability. It is concluded, that at low and intermediate excitation energies the fragmentation of nuclei is slow

Modeling Alkyl p-Methoxy Cinnamate (APMC) as UV absorber based on electronic transition using semiempirical quantum mechanics ZINDO/s calculation

Science.gov (United States)

Salmahaminati; Azis, Muhlas Abdul; Purwiandono, Gani; Arsyik Kurniawan, Muhammad; Rubiyanto, Dwiarso; Darmawan, Arif

2017-11-01

In this research, modeling several alkyl p-methoxy cinnamate (APMC) based on electronic transition by using semiempirical mechanical quantum ZINDO/s calculation is performed. Alkyl cinnamates of C1 (methyl) up to C7 (heptyl) homolog with 1-5 example structures of each homolog are used as materials. Quantum chemistry-package software Hyperchem 8.0 is used to simulate the drawing of the structure, geometry optimization by a semiempirical Austin Model 1 algorithm and single point calculation employing a semiempirical ZINDO/s technique. ZINDO/s calculations use a defined criteria that singly excited -Configuration Interaction (CI) where a gap of HOMO-LUMO energy transition and maximum degeneracy level are 7 and 2, respectively. Moreover, analysis of the theoretical spectra is focused on the UV-B (290-320 nm) and UV-C (200-290 nm) area. The results show that modeling of the compound can be used to predict the type of UV protection activity depends on the electronic transition in the UV area. Modification of the alkyl homolog relatively does not change the value of wavelength absorption to indicate the UV protection activity. Alkyl cinnamate compounds are predicted as UV-B and UV-C sunscreen.

Data mining of Ti-Al semi-empirical parameters for developing reduced order models

Energy Technology Data Exchange (ETDEWEB)

Broderick, Scott R [Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, IA 50011 (United States); Aourag, Hafid [Department of Physics, University Abou Bakr Belkaid, Tlemcen 13000 (Algeria); Rajan, Krishna [Department of Materials Science and Engineering and Institute for Combinatorial Discovery, Iowa State University, Ames, IA 50011 (United States)

2011-05-15

A focus of materials design is determining the minimum amount of information necessary to fully describe a system, thus reducing the number of empirical results required and simplifying the data analysis. Screening descriptors calculated through a semi-empirical model, we demonstrate how an informatics-based analysis can be used to address this issue with no prior assumptions. We have developed a unique approach for identifying the minimum number of descriptors necessary to capture all the information of a system. Using Ti-Al alloys of varying compositions and crystal chemistries as the test bed, 5 of the 21 original descriptors from electronic structure calculations are found to capture all the information from the calculation, thereby reducing the structure-chemistry-property search space. Additionally, by combining electronic structure calculations with data mining, we classify the systems by chemistries and structures, based on the electronic structure inputs, and thereby rank the impact of change in chemistry and crystal structure on the electronic structure. -- Research Highlights: {yields} We developed an informatics-based methodology to minimize the necessary information. {yields} We applied this methodology to descriptors from semi-empirical calculations. {yields} We developed a validation approach for maintaining information from screening. {yields} We classified intermetallics and identified patterns of composition and structure.

Data mining of Ti-Al semi-empirical parameters for developing reduced order models

International Nuclear Information System (INIS)

Broderick, Scott R.; Aourag, Hafid; Rajan, Krishna

2011-01-01

A focus of materials design is determining the minimum amount of information necessary to fully describe a system, thus reducing the number of empirical results required and simplifying the data analysis. Screening descriptors calculated through a semi-empirical model, we demonstrate how an informatics-based analysis can be used to address this issue with no prior assumptions. We have developed a unique approach for identifying the minimum number of descriptors necessary to capture all the information of a system. Using Ti-Al alloys of varying compositions and crystal chemistries as the test bed, 5 of the 21 original descriptors from electronic structure calculations are found to capture all the information from the calculation, thereby reducing the structure-chemistry-property search space. Additionally, by combining electronic structure calculations with data mining, we classify the systems by chemistries and structures, based on the electronic structure inputs, and thereby rank the impact of change in chemistry and crystal structure on the electronic structure. -- Research Highlights: → We developed an informatics-based methodology to minimize the necessary information. → We applied this methodology to descriptors from semi-empirical calculations. → We developed a validation approach for maintaining information from screening. → We classified intermetallics and identified patterns of composition and structure.

First spatial isotopic separation of relativistic uranium projectile fragments

International Nuclear Information System (INIS)

Magel, A.; Voss, B.; Armbruster, P.; Aumann, T.; Clerc, H.G.; Czajkowski, S.; Folger, H.; Grewe, A.; Hanelt, E.; Heinz, A.; Irnich, H.; Jong, M. de; Junghans, A.; Nickel, F.; Pfuetzner, M.; Roehl, C.; Scheidenberger, C.; Schmidt, K.H.; Schwab, W.; Steinhaeuser, S.; Suemmerer, K.; Trinder, W.; Wollnik, H.

1994-07-01

Spatial isotopic separation of relativistic uranium projectile fragments has been achieved for the first time. The fragments were produced in peripheral nuclear collisions and spatially separated in-flight with the fragment separator FRS at GSI. A two-fold magnetic-rigidity analysis was applied exploiting the atomic energy loss in specially shaped matter placed in the dispersive central focal plane. Systematic investigations with relativistic projectiles ranging from oxygen up to uranium demonstrate that the FRS is a universal and powerful facility for the production and in-flight separation of monoisotopic, exotic secondary beams of all elements up to Z=92. This achievement has opened a new area in heavy-ion research and applications. (orig.)

Label free fragment screening using surface plasmon resonance as a tool for fragment finding - analyzing parkin, a difficult CNS target.

Directory of Open Access Journals (Sweden)

Karin Regnström

Full Text Available Surface Plasmon Resonance (SPR is rarely used as a primary High-throughput Screening (HTS tool in fragment-based approaches. With SPR instruments becoming increasingly high-throughput it is now possible to use SPR as a primary tool for fragment finding. SPR becomes, therefore, a valuable tool in the screening of difficult targets such as the ubiquitin E3 ligase Parkin. As a prerequisite for the screen, a large number of SPR tests were performed to characterize and validate the active form of Parkin. A set of compounds was designed and used to define optimal SPR assay conditions for this fragment screen. Using these conditions, more than 5000 pre-selected fragments from our in-house library were screened for binding to Parkin. Additionally, all fragments were simultaneously screened for binding to two off target proteins to exclude promiscuous binding compounds. A low hit rate was observed that is in line with hit rates usually obtained by other HTS screening assays. All hits were further tested in dose responses on the target protein by SPR for confirmation before channeling the hits into Nuclear Magnetic Resonance (NMR and other hit-confirmation assays.

Nuclear fragmentation in central collisions: Ni + Au from 32 to 90 A*MeV

International Nuclear Information System (INIS)

Bellaize, N.

2000-01-01

Heavy ion collisions are one of tools for studying nuclear system far away from its equilibrium state. This work concerns the most violent collisions in the Ni + Au system for incident energies ranging from 32 up to 90 AMeV. These events were detected with the multidetector INDRA and selected by the Principal Component Analysis (multidimensional analysis). This method classifies the events according their detection features and their degree of dissipation. We observed two deexcitation mechanisms: a fusion/fission - evaporation process and a multifragmentation process. Those two coexist from 32 to 52 AMeV whereas only one subsists at 90 AMeV. For those two mechanisms, an component was observed which seems to be linked to the initial phase of the reaction. The energy fluctuations of this component leads to variations in the energy deposit which determines the deexcitation of the system. The experimental multifragmentation data of the Ni + Au system (52 and 90 AMeV) were compared to the predictions of a statistical model and to the experimental data of the system Xe + Sn at 50 AMeV (also detected with INDRA). These comparisons show the lack of collective radial energy for fragments (Z≥10) in the Ni + Au system, and show that the degree of multifragmentation depends of the thermal excitation energy. Mean kinetic energies of particles and lights fragments (Z≥10) are larger in the Ni + Au system than the Xe + Sn system. This observation shows that these particles are more sensitive to the entrance channel for an asymmetric system than for a symmetric system (for the same number of nucleons). (author)

[Studies of target fragmentation in intermediate energy, relativistic and ultra-relativistic nuclear collisions]. Nuclear chemistry progress report, August 1, 1990--August 1, 1991

Energy Technology Data Exchange (ETDEWEB)

Loveland, W.D.

1991-08-01

The work described herein is part of a project involving the study of low energy (< 10 MeV/A), intermediate energy (10--100 MeV/A) and relativistic (> 250 MeV/A) heavy ion reactions. In the low energy regime, we published a monograph on the properties of the heaviest elements and used that publication as a basis for making a set of ``best`` semi-empirical predictions of heavy element decay properties. The intermediate energy research effort focussed upon the completion of studies already begun and the initiation of a number of new experiments. In our study of a interaction of 21 MeV/nucleon {sup 129}Xe with {sup 197}Au, we compared the characteristics of the observed deep inelastic phenomena with various models of dissipative reactions and found significant discrepancies between observations and predictions. These discrepancies seemed to be caused by an improper treatment of pre-equilibrium in the early stages of the collision. In our study of the relativistic interaction of 400 MeV/nucleon {sup 12}C with {sup 197}Au, we reported the first direct physical measurement of the properties of the spallation residues from a nucleus-nucleus collision. We found the residue energies to be much lower than those predicted by the intranuclear cascade model, indicating some substantial modifications of that model are needed. But, we also found, indications of significant, non-zero values of the residue transverse momentum, a finding that calls into question the interpretation of a number of radiochemical recoil studies of the kinematics of high energy reactions. A program of performing numerical simulations of intermediate and high energy nuclear collisions using the QMD model was initiated.

Intermittency in 197Au fragmentation

International Nuclear Information System (INIS)

Dabrowska, A.; Holynski, R.; Olszewski, A.; Szarska, M.; Wilczynska, B.; Wolter, W.; Wosiek, B.; Cherry, M.L.; Deines-Jones, P.; Jones, W.V.; Sengupta, K.; Wefel, B.

1995-07-01

The concept of factorial moments was applied to an analysis of the dynamical fluctuations in the charge distributions of the fragments emitted from gold nuclei with energies 10.6 and < 1.0 GeV/n interacting with emulsion nuclei. Clear evidence for intermittent fluctuations has been found in an analysis using all the particles released from the gold projectile, with a stronger effect observed below 1 GeV/n than at 10.6 GeV/n. For the full data sets, however, the intermittency effect was found to be very sensitive to the singly charged particles, and neglecting these particles strongly reduces the intermittency signal. When the analysis is restricted to the multiply charged fragments, an intermittency effect is revealed only for multifragmentation events, although one that is enhanced as compared to the analysis of all, singly and multiply charged, particles. The properties of the anomalous fractal dimensions suggest a sequential decay mechanism, rather than the existence of possible critical behaviour in the process of nuclear fragmentation. The likely influence of the charge conservation effects and the finite size of decaying systems on the observed intermittency signals was pointed out. (author). 37 refs, 9 figs, 5 tabs

Analysis on long-term perspectives of sustainable nuclear energy towards global warming protection

International Nuclear Information System (INIS)

Yamazawa, M.; Ichimura, E.; Shibata, Y.; Kobayashi, K.; Wajima, T.

1998-01-01

Study of long-term perspectives of the nuclear power generation was made from the point of views of both CO 2 emission constraints and sustainability of nuclear energy. To this end, STREAM (Semi-empirical TRiple E Analysis Model) program, as a social model, has been developed by Tokyo Electric Power Co. and Hitachi, Ltd. Using this program, long-term world demands of primary and nuclear energy were deduced, in view of the protection against the global warming due to the CO 2 gas accumulation. The inevitable conclusion has been drawn that nuclear energy plays an indispensable role in the reduction of green house effect. Evaluations were then made on conditions that the nuclear power system would be the long-term major sustainable energy source. (author)

Studies of complex fragment emission in heavy ion reactions: Progress report, September 1, 1986 through August 31, 1987

International Nuclear Information System (INIS)

Sobotka, L.G.

1987-01-01

The production of large fragments, fragments with mass between light particles and fission fragments, in intermediate and high energy nuclear reactions has fostered the proposal of a number of novel reaction mechanisms. These include liquid-vapor equilibrium and nuclear shattering. Temporarily left in the wake of these exciting proposed mechanisms was the old standard, statistical decay of compound nuclei. To be sure, the standard treatment of compound nucleus decay did not deal with large fragment production. However, this omission was not due to any fundamental deficiency of statistical models, but rather an uncertainty concerning exactly how to splice large fragment emission into statistical models. A large portion of our program deals with this problem. Specifically, by studying the yields of large fragments produced in sufficiently low energy reactions we are attempting to deduce the asymmetry and l-wave dependence of large fragment emission from compound nuclear intermediates. This, however, is only half of the problem. Since the novel mechanisms proposed for large fragment emission were spawned by intermediate and high energy reaction data, we must also realize the relevance of the compound nucleus mechanisms at high energies. It is not unreasonable to suspect that compound nucleus-like objects are formed with less than complete momentum transfer and perhaps less than complete mass transfer. Therefore the study of large fragment production in low energy reactions should go hand in hand with the study of energy, mass, and angular momentum transfer in non-compound reactions. This thread joins the apparently divergent subjects covered in this report. 39 refs., 24 figs., 2 tabs

Thermodynamics of excited nuclei and nuclear level densities

International Nuclear Information System (INIS)

Ramamurthy, V.S.

1977-01-01

A review has been made of the different approaches that are being used for a theoretical calculation of nuclear level densities. It is pointed out that while the numerical calculations based on the partition function approach and shell model single particle level schemes have shed important insight into the influence of nuclear shell effects on level densities and its excitation energy dependence and have brought out the inadequacy of the conventional Bethe Formula, these calculations are yet to reach a level where they can be directly used for quantitative comparisons. Some of the important drawbacks of the numerical calculations are also discussed. In this context, a new semi-empirical level density formula is described which while retaining the simplicity of analytical formulae, takes into account nuclear shell effects in a more realistic manner. (author)

Semi-empirical neural network models of controlled dynamical systems

Directory of Open Access Journals (Sweden)

Mihail V. Egorchev

2017-12-01

Full Text Available A simulation approach is discussed for maneuverable aircraft motion as nonlinear controlled dynamical system under multiple and diverse uncertainties including knowledge imperfection concerning simulated plant and its environment exposure. The suggested approach is based on a merging of theoretical knowledge for the plant with training tools of artificial neural network field. The efficiency of this approach is demonstrated using the example of motion modeling and the identification of the aerodynamic characteristics of a maneuverable aircraft. A semi-empirical recurrent neural network based model learning algorithm is proposed for multi-step ahead prediction problem. This algorithm sequentially states and solves numerical optimization subproblems of increasing complexity, using each solution as initial guess for subsequent subproblem. We also consider a procedure for representative training set acquisition that utilizes multisine control signals.

Semi-empirical quantum evaluation of peptide - MHC class II binding

Science.gov (United States)

González, Ronald; Suárez, Carlos F.; Bohórquez, Hugo J.; Patarroyo, Manuel A.; Patarroyo, Manuel E.

2017-01-01

Peptide presentation by the major histocompatibility complex (MHC) is a key process for triggering a specific immune response. Studying peptide-MHC (pMHC) binding from a structural-based approach has potential for reducing the costs of investigation into vaccine development. This study involved using two semi-empirical quantum chemistry methods (PM7 and FMO-DFTB) for computing the binding energies of peptides bonded to HLA-DR1 and HLA-DR2. We found that key stabilising water molecules involved in the peptide binding mechanism were required for finding high correlation with IC50 experimental values. Our proposal is computationally non-intensive, and is a reliable alternative for studying pMHC binding interactions.

Topology of White Stars in Relativistic Fragmentation of Light Nuclei

CERN Document Server

Andreeva, N P; Vokal, S; Vokalova, A; Gaitinov, A Sh; Gerassimov, S G; Goncharova, L A; Dronov, V A; Zarubin, P I; Zarubina, I G; Kovalenko, A D; Kravchakova, A; Larionova, V G; Levitskaja, O V; Lepehin, F G; Malakhov, A I; Moiseenko, A A; Orlova, G I; Peresadko, N G; Polukhina, N G; Rukojatkin, P A; Rusakova, V V; Salmanova, N A; Sarkisian, V R; Simonov, B B; Stan, E; Stanoeva, R; Chernyavsky, M M; Haidue, M; Kharlamov, S P; Tsakov, I; Shchedrina, T V

2004-01-01

In the present paper, experimental observation of the multifragmentation processes of light relativistic nuclei carried out by means of emulsions are reviewed. Events of the type of "white stars" in which the dissociation of relativistic nuclei is not accompanied by the production of mesons and the target-nucleus fragments are considered. A distinctive feature of the charge topology in the dissociation of the Ne, Mg, Si and S nuclei is an almost total suppression of the binary splitting of nuclei to fragments with charges higher than 2. The growth of the nuclear fragmentation degree is revealed in an increase in the multiplicity of singly and doubly charged fragments with decreasing charge of the main non-excited part of the fragmenting nucleus. The processes of dissociation of stable Li, Be, B, C, N, and O isotopes to charged fragments were used to study special features of the formation of systems consisting of the lightest nuclei - alpha, d and t. Clustering of the 3He nucleus can be detected in "white sta...

Fragmentation and Multifragmentation of 10.6 A GeV Gold Nuclei

CERN Document Server

Adamovich, M I

1999-01-01

We present the results of a study performed on the interactions of 10.6A GeV gold nuclei in nuclear emulsions. In a minimum bias sample of 1311 interac- tions, 5260 helium nuclei and 2622 heavy fragments were observed as Au projec- tile fragments. The experimental data are analyzed with particular emphasis of target separation interactions in emulsions and study of criticalexponents. Multiplicity distributions of the fast-moving projectile fragments are inves- tigated. Charged fragment moments, conditional moments as well as two and three -body asymmetries of the fast moving projectile particles are determined in terms of the total charge remaining bound in the multiply charged projectile fragments. Some differences in the average yields of helium nuclei and heavier fragments are observed, which may be attributed to a target effect. However, two and three-body asymmetries and conditional moments indicate that the breakup mechanism of the projectile seems to be independent of target mass. We looked for evidenc...

SU-F-T-144: Analytical Closed Form Approximation for Carbon Ion Bragg Curves in Water

Energy Technology Data Exchange (ETDEWEB)

Tuomanen, S; Moskvin, V; Farr, J [St. Jude Children’s Research Hospital, Memphis, TN (United States)

2016-06-15

Purpose: Semi-empirical modeling is a powerful computational method in radiation dosimetry. A set of approximations exist for proton ion depth dose distribution (DDD) in water. However, the modeling is more complicated for carbon ions due to fragmentation. This study addresses this by providing and evaluating a new methodology for DDD modeling of carbon ions in water. Methods: The FLUKA, Monte Carlo (MC) general-purpose transport code was used for simulation of carbon DDDs for energies of 100–400 MeV in water as reference data model benchmarking. Based on Thomas Bortfeld’s closed form equation approximating proton Bragg Curves as a basis, we derived the critical constants for a beam of Carbon ions by applying models of radiation transport by Lee et. al. and Geiger to our simulated Carbon curves. We hypothesized that including a new exponential (κ) residual distance parameter to Bortfeld’s fluence reduction relation would improve DDD modeling for carbon ions. We are introducing an additional term to be added to Bortfeld’s equation to describe fragmentation tail. This term accounts for the pre-peak dose from nuclear fragments (NF). In the post peak region, the NF transport will be treated as new beams utilizing the Glauber model for interaction cross sections and the Abrasion- Ablation fragmentation model. Results: The carbon beam specific constants in the developed model were determined to be : p= 1.75, β=0.008 cm-1, γ=0.6, α=0.0007 cm MeV, σmono=0.08, and the new exponential parameter κ=0.55. This produced a close match for the plateau part of the curve (max deviation 6.37%). Conclusion: The derived semi-empirical model provides an accurate approximation of the MC simulated clinical carbon DDDs. This is the first direct semi-empirical simulation for the dosimetry of therapeutic carbon ions. The accurate modeling of the NF tail in the carbon DDD will provide key insight into distal edge dose deposition formation.

Uranium target fragmentation by intermediate and high energy 12C and 20Ne

International Nuclear Information System (INIS)

McGaughey, P.L.; Loveland, W.; Morrissey, D.J.; Aleklett, K.; Seaborg, G.T.

1985-01-01

The authors report herein the final analysis of the measurement of the target fragment production cross sections for nuclides with 24 less than or equal to A less than or equal to 237 from the interaction of 1.0, 3.0, 4.8, and 12 GeV 12 C and 8.0 and 20.0 GeV 20 Ne with 238 U. Isobaric yield distributions deduced from the nuclidic formation cross sections along with predictions of these distributions made using the nuclear firestreak and intranuclear cascade models are shown. Contrary to a previous report no large yields of fragments with 160 less than or equal to A less than or equal to 200 are observed in any reaction. Both the intranuclear cascade model and the nuclear firestreak model satisfactorily predict the observed yields of fragments with A > 60 indicating the general pattern of yields of these fragments is governed by the excitation energy deposited in the nucleus during the initial projectile-target interaction and the geometry of the collision

Experimental and semi-empirical and DFT calculational studies on (e)-2-(1-(2-(4-methylphenylsulfonamido) ethyliminio) ethyl) phenolate

International Nuclear Information System (INIS)

Alpaslan, G.; Agar, E.; Ersahin, F.; Isik, S.; Erdoenmez, A.

2010-01-01

The molecular and crystal structure of the title compound, C 1 7H 2 0N 2 O 3 S, has been determined by X-ray single crystal diffraction technique. The compound crystallizes in the monoclinic, space group P2 1 /n with unit cell dimensions a=11.4472(6), b=11.1176(4), c=13.4873(7)A 0 , M r =332.41, V=1639.36(13)A 03 , Z=4, R 1 =0.034 and wR 2 =0.097. The molecule adopts a zwitterionic form, stabilized by an intramolecular N + -H 2 O - type ionic weak hydrogen bond. The molecule pack via intermolecular N-H 2 O hydrogen bonds which, together with an intramolecular N + -H 2 O - bond, form an S(6)R 2 4 (4)S(6) motif. Calculational studies were performed by using AM1, PM3 semi-empirical and DFT methods. Geometry optimizations of compound have been carried out by using three semi-empirical methods and DFT method and bond lengths, bond and torsion angles of title compound have been determined. Atomic charge distribution have been obtained from AM1, PM3 and DFT. In order to determine conformational flexibility on the molecule, molecular energy profile of the title compound was obtained with respect to the selected torsion angle T(N1-C9-C10-N2), which is varied from -180 degrees to +180 degrees in every 10 via PM3 semi-empirical method.

MODELING OF ALKYL SALICYLATE COMPOUNDS AS UV ABSORBER BASED ON ELECTRONIC TRANSITION BY USING SEMIEMPIRICAL QUANTUM MECHANICS ZINDO/s CALCULATION

Directory of Open Access Journals (Sweden)

Iqmal Tahir

2010-06-01

Full Text Available Modeling of several alkyl salicylates based on electronic transition by using semiempriical mechanical quantum ZINDO/s calculation has been done. Object of these research were assumed only alkyl salicylates of C4 (butyl until C8 (octyl homologue with 4-7 example structures of each homologue. All of the computation have been performed using quantum chemistry - package software Hyperchem 6.0. The research covered about drawing each of the structure, geometry optimization using semiempirical AM1 algorithm and followed with single point calculation using semiempirical ZINDO/s technique. ZINDO/s calculations used a defined criteria that is singly excited - Configuration Interaction (CI, gap of HOMO-LUMO energy transition was 2 and degeneracy level was 3. Analysis of the theoretical spectra was focused in the UV-B (290-320 nm and UV-C (200-290 nm area. The result showed that modeling of the compound can be used for predicting the type of UV protection activity depending with the electronic transition in the UV area. Modification of the alkyl homologue relatively did not change the value of wavelength absorbtion to indicate the UV protection activity. Alkyl salicylate compounds were predicted as UV-C sunscreen or relatively the compounds have protection effect for UV-C.   Keywords: alkyl salicylate, sunscreen, semiempirical methods

The mass (charge) spectrum of superheavy nuclei fission fragments: the new perspectives for the theory of nucleosynthesis

International Nuclear Information System (INIS)

Maslyuk, V.T.

2012-01-01

A new approach to the problem of nucleosynthesis based on assumption of a nuclear matter or superheavy nuclei series fragmentation up to atomic nuclei is proposed. It is shown that studies of the mass (charge) fragments yields (MCFY) after nuclear matter disintegration is possible within proposed statistical theory. The data of MCFY calculation for exotic superheavy nuclei multifragmentation with A=300, 900 and 1200 and arbitrary Z values are demonstrated

Hard processes and fragmentation in a unified model for interactions at ultra-relativistic energies; Les processus durs et la fragmentation dans un modele unifie pour les interactions aux energies ultra-relativistes

Energy Technology Data Exchange (ETDEWEB)

Drescher, H.J

1999-06-11

In this work we have developed hard processes and string fragmentation in the framework of interactions at relativistic energies. The hypothesis of the universality of high energy interactions means that many elements of heavy ion collisions can be studied and simulated in simpler nuclear reactions. In particular this hypothesis implies that the fragmentation observed in the reaction e{sup +}e{sup -} follows the same rules as in the collision of 2 lead ions. This work deals with 2 nuclear processes: the e{sup +}e{sup -} annihilation reaction and the deep inelastic diffusion. For the first process the string model has been developed to simulate fragmentation by adding an artificial breaking of string due to relativistic effects. A monte-Carlo method has been used to determine the points in a Minkowski space where this breaking occurs. For the second reaction, the theory of semi-hard pomerons is introduced in order to define elementary hadron-hadron interactions. The model of fragmentation proposed in this work can be applied to more complicated reactions such as proton-proton or ion-ion collisions.

Nuclear uptake of an amino-terminal fragment of apolipoprotein E4 promotes cell death and localizes within microglia of the Alzheimer's disease brain.

Science.gov (United States)

Love, Julia E; Day, Ryan J; Gause, Justin W; Brown, Raquel J; Pu, Xinzhu; Theis, Dustin I; Caraway, Chad A; Poon, Wayne W; Rahman, Abir A; Morrison, Brad E; Rohn, Troy T

2017-01-01

Although harboring the apolipoprotein E4 ( APOE4 ) allele is a well known risk factor in Alzheimer's disease (AD), the mechanism by which it contributes to disease risk remains elusive. To investigate the role of proteolysis of apoE4 as a potential mechanism, we designed and characterized a site-directed cleavage antibody directed at position D151 of the mature form of apoE4 and E3. Characterization of this antibody indicated a high specificity for detecting synthesized recombinant proteins corresponding to the amino acid sequences 1-151 of apoE3 and E4 that would generate the 17 kDa (p17) fragment. In addition, this antibody also detected a ~17 kDa amino-terminal fragment of apoE4 following incubation with collagenase and matrix metalloproteinase-9 (MMP-9), but did not react with full-length apoE4. Application of this amino-terminal apoE cleavage-fragment (nApoECFp17) antibody, revealed nuclear labeling within glial cells and labeling of a subset of neurofibrillary tangles in the human AD brain. A quantitative analysis indicated that roughly 80% of labeled nuclei were microglia. To confirm these findings, cultured BV2 microglia cells were incubated with the amino-terminal fragment of apoE4 corresponding to the cleavage site at D151. The results indicated efficient uptake of this fragment and trafficking to the nucleus that also resulted in significant cell death. In contrast, a similarly designed apoE3 fragment showed no toxicity and primarily localized within the cytoplasm. These data suggest a novel cleavage event by which apoE4 is cleaved by the extracellular proteases, collagenase and MMP-9, generating an amino-terminal fragment that is then taken up by microglia, traffics to the nucleus and promotes cell death. Collectively, these findings provide important mechanistic insights into the mechanism by which harboring the APOE4 allele may elevate dementia risk observed in AD.

Simple description of cluster radioactivity

International Nuclear Information System (INIS)

Tavares, O.A.P.; Medeiros, E.L.

2012-05-01

The partial half-life of radioactive decay of nuclei by the emission of fragments heavier than the alpha particle, such as the emission of carbon, oxygen, neon, magnesium, and silicon isotopes from translead nuclei (known as cluster radioactivity), is re-evaluated in the framework of a semiempirical, one-parameter model based on the quantum mechanical tunneling mechanism through a potential barrier where the Coulomb, centrifugal, and overlapping contributions to the barrier are considered within the spherical nucleus approximation. This treatment has shown not only very adequate to t all the existing half-life data, but also to give more reliable half-life predictions for new, yet unmeasured cases of spontaneous emission of massive nuclear fragments both from heavy and intermediate-mass parent nuclei as well. (author)

Dynamics of fragments and associated phenomena in heavy-ion collisions using a modified secondary algorithm

Energy Technology Data Exchange (ETDEWEB)

Kumar, Rohit [Department of Physics, Panjab University, Chandigarh-160014 (India)

2016-05-06

We discuss the stability of fragments identified by secondary algorithms used to construct fragments within quantum molecular dynamics model. For this purpose we employ three different algorithms for fragment identification. 1) The conventional minimum spanning tree (MST) method based on the spatial correlations, 2) an improved version of MST with additional binding energy constraints of cold nuclear matter, 3) and that of hot matter. We find significant role of thermal binding energies over cold matter binding energies. Significant role is observed for fragment multiplicities and stopping of fragments. Whereas insignificant effect is observed on fragment’s flow.

Heavy-residue isoscaling as a probe of the symmetry energy of hot fragments

International Nuclear Information System (INIS)

Souliotis, G.A.; Shetty, D.V.; Keksis, A.; Bell, E.; Jandel, M.; Veselsky, M.; Yennello, S.J.

2006-01-01

The isoscaling properties of isotopically resolved projectile residues from peripheral collisions of 86 Kr (25 MeV/nucleon) 64 Ni (25 MeV/nucleon), and 136 Xe (20 MeV/nucleon) beams on various target pairs are employed to probe the symmetry energy coefficient of the nuclear binding energy. The present study focuses on heavy projectile fragments produced in peripheral and semiperipheral collisions near the onset of multifragment emission (E * /A=2-3 MeV). For these fragments, the measured average velocities are used to extract excitation energies. The excitation energies, in turn, are used to estimate the temperatures of the fragmenting quasiprojectiles in the framework the Fermi gas model. The isoscaling analysis of the fragment yields provided the isoscaling parameters α that, in combination with temperatures and isospin asymmetries provided the symmetry energy coefficient of the nuclear binding energy of the hot fragmenting quasiprojectiles. The extracted values of the symmetry energy coefficient at this excitation energy range (2-3 MeV/nucleon) are lower than the typical liquid-drop model value ∼25 MeV corresponding to ground-state nuclei and show a monotonic decrease with increasing excitation energy. This result is of importance in the formation of hot nuclei in heavy-ion reactions and in hot stellar environments such as supernova

Proton induced target fragmentation studies on solid state nuclear track detectors using Carbon radiators

Science.gov (United States)

Szabó, J.; Pálfalvi, J. K.; Strádi, A.; Bilski, P.; Swakoń, J.; Stolarczyk, L.

2018-04-01

One of the limiting factors of an astronaut's career is the dose received from space radiation. High energy protons, being the main components of the complex radiation field present on a spacecraft, give a significant contribution to the dose. To investigate the behavior of solid state nuclear track detectors (SSNTDs) if they are irradiated by such particles, SSNTD stacks containing carbon blocks were exposed to high energy proton beams (70, 100, 150 and 230 MeV) at the Proteus cyclotron, IFJ PAN -Krakow. The incident protons cannot be detected directly; however, tracks of secondary particles, recoils and fragments of the constituent atoms of the detector material and of the carbon radiator are formed. It was found that as the proton energy increases, the number of tracks induced in the PADC material by secondary particles decreases. From the measured geometrical parameters of the tracks the linear energy transfer (LET) spectrum and the dosimetric quantities were determined, applying appropriate calibration. In the LET spectra the LET range of the most important secondary particles could be identified and their abundance showed differences in the spectra if the detectors were short or long etched. The LET spectra obtained on the SSNTDs irradiated by protons were compared to LET spectra of detectors flown on the International Space Station (ISS): they were quite similar, resulting in a quality factor difference of only 5%. Thermoluminescent detectors (TLDs) were applied in each case to measure the dose from primary protons and other lower LET particles present in space. Comparing and analyzing the results of the TLD and SSNTD measurements, it was obtained that proton induced target fragments contributed to the total absorbed dose in 3.2% and to the dose equivalent in 14.2% in this particular space experiment.

Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology

Science.gov (United States)

Neumann, Lars; Ritscher, Allegra; Müller, Gerhard; Hafenbradl, Doris

2009-08-01

For the detection of the precise and unambiguous binding of fragments to a specific binding site on the target protein, we have developed a novel reporter displacement binding assay technology. The application of this technology for the fragment screening as well as the fragment evolution process with a specific modelling based design strategy is demonstrated for inhibitors of the protein kinase p38alpha. In a fragment screening approach seed fragments were identified which were then used to build compounds from the deep-pocket towards the hinge binding area of the protein kinase p38alpha based on a modelling approach. BIRB796 was used as a blueprint for the alignment of the fragments. The fragment evolution of these deep-pocket binding fragments towards the fully optimized inhibitor BIRB796 included the modulation of the residence time as well as the affinity. The goal of our study was to evaluate the robustness and efficiency of our novel fragment screening technology at high fragment concentrations, compare the screening data with biochemical activity data and to demonstrate the evolution of the hit fragments with fast kinetics, into slow kinetic inhibitors in an in silico approach.

Studies of complex fragment emission in heavy ion reactions

International Nuclear Information System (INIS)

Charity, R.J.; Sobotka, L.G.

1993-01-01

The study of intermediate-energy heavy-ion nuclear reactions is reported. This work has two foci: the properties of nuclear matter under abnormal conditions, in this energy domain, predominately low densities and the study of the relevant reaction mechanisms. Nuclear matter properties, such as phase transitions, are reflected in the dynamics of the reactions. The process leads to an understanding of the reaction mechanism themselves and therefore to the response characteristics of finite, perhaps non-equilibrium, strongly interacting systems. The program has the following objectives: to study energy, mass, and angular momentum deposition by studying incomplete fusion reactions; to gain confidence in the understanding of how highly excited systems decompose by studying all emissions from the highly excited systems; to push these kinds of studies into the intermediate energy domain (where intermediate mass fragment emission is not improbable) with excitation function studies; and to learn about the dynamics of the decays using particle-particle correlations. The last effort focuses on simple systems, where definitive statements are possible. These avenues of research share a common theme, large complex fragment production. It is this feature, more than any other, which distinguishes the intermediate energy domain

Validation of PM6 & PM7 semiempirical methods on polarizability calculations

Science.gov (United States)

Praveen, P. A.; Babu, R. Ramesh; Ramamurthi, K.

2015-06-01

Modern semiempirical methods such as PM6 and PM7 are often used to explore the electronic structure dependent properties of molecules. In this work we report the evaluation of PM6 and PM7 methods towards linear and nonlinear optical polarizability calculations for different molecules and solid nanoclusters. The results are compared with reported experimental results as well as theoretical results from other high level theories for the same systems. It is found that both methods produce accurate results for small molecules and the accuracy increases with the increase in asymmetry of the medium sized organic molecules and accuracy reduces for solid nanoclusters.

Validation of PM6 & PM7 semiempirical methods on polarizability calculations

Energy Technology Data Exchange (ETDEWEB)

Praveen, P. A.; Babu, R. Ramesh, E-mail: rampap2k@yahoo.co.in [Crystal Growth and Thin film Laboratory, Department of Physics, Bharathidasan University, Tiruchirappalli-620024, Tamilnadu (India); Ramamurthi, K. [Department of Physics and Nanotechnology, Faculty of Engineering and Technology, SRM University, Kattankulathur – 603 203, Tamil Nadu (India)

2015-06-24

Modern semiempirical methods such as PM6 and PM7 are often used to explore the electronic structure dependent properties of molecules. In this work we report the evaluation of PM6 and PM7 methods towards linear and nonlinear optical polarizability calculations for different molecules and solid nanoclusters. The results are compared with reported experimental results as well as theoretical results from other high level theories for the same systems. It is found that both methods produce accurate results for small molecules and the accuracy increases with the increase in asymmetry of the medium sized organic molecules and accuracy reduces for solid nanoclusters.

Validation of PM6 & PM7 semiempirical methods on polarizability calculations

International Nuclear Information System (INIS)

Praveen, P. A.; Babu, R. Ramesh; Ramamurthi, K.

2015-01-01

Modern semiempirical methods such as PM6 and PM7 are often used to explore the electronic structure dependent properties of molecules. In this work we report the evaluation of PM6 and PM7 methods towards linear and nonlinear optical polarizability calculations for different molecules and solid nanoclusters. The results are compared with reported experimental results as well as theoretical results from other high level theories for the same systems. It is found that both methods produce accurate results for small molecules and the accuracy increases with the increase in asymmetry of the medium sized organic molecules and accuracy reduces for solid nanoclusters

Tests of spinning turbine fragment impact on casing models

International Nuclear Information System (INIS)

Wilbeck, J.S.

1984-01-01

Ten 1/11-scale model turbine missile impact tests were conducted at a Naval spin chamber test facility to assess turbine missile effects in nuclear plant design. The objective of the tests was to determine the effects of missile spin, blade crush, and target edge conditions on the impact of turbine disk fragments on the steel casing. The results were intended for use in making realistic estimates for the initial conditions of fragments that might escape the casing in the event of a disk burst in a nuclear plant. The burst of a modified gas turbine rotor in a high-speed spin chamber provided three missiles with the proper rotational and translational velocities of actual steam turbine fragments. Tests of bladed, spinning missiles were compared with previous tests of unbladed, nonspinning missiles. The total residual energy of the spinning missiles, as observed from high-speed photographs of disk burst, was the same as that of the nonspinning missiles launched in a piercing orientation. Tests with bladed missiles showed that for equal burst speeds, the residual energy of bladed missiles is less than that of unbladed missiles. Impacts of missiles near the edge of targets resulted in residual missile velocities greater than for central impact. (orig.)

The Role of Nuclear Fragmentation in Particle Therapy and Space Radiation Protection

Directory of Open Access Journals (Sweden)

Cary eZeitlin

2016-03-01

Full Text Available The transport of so-called HZE particles (those having high charge, Z, and energy, E through matter is crucially important both in space radiation protection and in the clinical setting where heavy ions are used for cancer treatment. Transport physics is governed by two types of interactions, electromagnetic (ionization energy loss and nuclear. Models of transport such as those used in treatment planning and space mission planning must account for both effects in detail. The theory of electromagnetic interactions is well developed, but nucleus-nucleus collisions are so complex that no fundamental physical theory currently describes them. Instead, interaction models are generally anchored to experimental data, which in some areas are far from complete. The lack of fundamental physics knowledge introduces uncertainties in the calculations of exposures and their associated risks. These uncertainties are greatly compounded by the much larger uncertainties in biological response to HZE particles. In this article, we discuss the role of nucleus-nucleus interactions in heavy charged particle therapy and in deep space, where astronauts will receive a chronic low dose from Galactic Cosmic Rays (GCRs and potentially higher short-term doses from sporadic, unpredictable Solar Energetic Particles (SEPs. GCRs include HZE particles; SEPs typically do not and we therefore exclude them from consideration in this article. Nucleus-nucleus collisions can result in the breakup of heavy ions into lighter ions. In space, this is generally beneficial because dose and dose equivalent are, on the whole, reduced in the process. The GCRs can be considered a radiation field with a significant high-LET component; when they pass through matter, the high-LET component is attenuated, at the cost of a slight increase in the low-LET component. Not only are the standard measures of risk reduced by fragmentation, but it can be argued that fragmentation also reduces the

Achieving high baryon densities in the fragmentation regions in heavy ion collisions at top RHIC energy

International Nuclear Information System (INIS)

Li, Ming; Kapusta, Joseph I.

2017-01-01

Heavy ion collisions at extremely high energy, such as the top energy at RHIC, exhibit the property of transparency where there is a clear separation between the almost net-baryon-free central rapidity region and the net-baryon-rich fragmentation region. We calculate the net-baryon rapidity loss and the nuclear excitation energy using the energy-momentum tensor obtained from the McLerran-Venugopalan model. Nuclear compression during the collision is further estimated using a simple space-time picture. The results show that extremely high baryon densities, about twenty times larger than the normal nuclear density, can be achieved in the fragmentation regions. (paper)

Interaction mean free path measurements for relativistic heavy ion fragments using CR39 plastic track detectors

International Nuclear Information System (INIS)

Drechsel, H.; Brechtmann, C.; Dreute, J.; Sonntag, S.; Trakowski, W.; Beer, J.; Heinrich, W.

1984-01-01

This paper describes an experiment measuring the interaction mean free paths for charge changing nuclear collisions of relativistic heavy ion fragments. We use a stack of CR39 plastic nuclear track detectors that was irradiated with 1.8 GeV/nucleon 40 Ar ions at the Berkeley Bevalac. About 1.5 x 10 7 etch cones were measured in this experiment using an automatic measuring system. By tracing the etch cones over successive plastic foils the particle trajectories in the stack were reconstructed. For 14185 trajectories with 6444 nuclear collisions of fragments with charge 9-15 the interaction mean free path in the plastic was determined. (orig.)

Multifragment disintegrations of expanding nuclear systems

International Nuclear Information System (INIS)

Gelbke, K.

1993-01-01

Two phase transitions are expected to exist in bulk nuclear matter: a liquid-gas phase transition and a deconfinement transition to a quark-gluon plasma. In studies of nucleus-nucleus collisions, conditions similar to those pertaining to phase transitions in infinite systems can be created, but the fundamental problem yet to be solved is the identification of remnant signatures uniquely related to either of these phase transitions. Nuclear systems at densities and temperatures corresponding to the liquid-gas coexistence region can be produced in intermediate energy nucleus-nucleus collisions; they are expected to decay into many intermediate mass fragments (IMF's: Z=3-20). Recent investigations with low-threshold electronic 4π detector arrays have firmly established the occurrence of multifragment disintegrations of hot nuclear systems and allowed to challenge various theoretical approaches. In this talk, an overview of pertinent experimental results on multifragmentation will be presented and discussed. it will be shown that current microscopic transport theories designed to treat the growth of density fluctuations predict fragment multiplicities much smaller than observed experimentally. Measurements of the time scales of fragment formation are consistent with statistical model calculations for expanding hot nuclear system which indicate that fragments may form during a rather narrow time interval after the system has cooled and expanded to a density below that of normal nuclear matter. The expansion rate (and hence the fragment multiplicity) is sensitive to the equation of state (EOS). However, a number of recent results provide increasing evidence that current theoretical treatments need to be refined to allow an experimental determination of the EOS

Stopping Power Measurements: Implications in Nuclear Astrophysics

International Nuclear Information System (INIS)

Carmen Angulo; Thierry Delbar; Jean-Sebastien Graulich; Pierre Leleux

1999-01-01

The stopping powers of C, CH 2 , Al, Ni, and polyvinylchloride (PVC) for several light ions ( 9 Be, 11 B, 12 C, 14 N, 16 O, 19 F, 20 Ne) with an incident energy of 1 MeV/amu have been measured at the Louvain-la-Neuve cyclotron facility. Stopping powers are given relative to the one for 5.5 MeV 4 He ions with an uncertainty of less than 1%. We compare our results with two widely used semiempirical models and we discuss some implications in nuclear astrophysics studies

Fragmentation of 12C nuclei in emulsion at 50 GeV/c

International Nuclear Information System (INIS)

El-Naghy, A.

1981-01-01

A total of 852 12 C-emulsion interactions at 4.2 GeV/nucleon was investigated. In 86% of these events, at least one projectile fragment was oberserved in each. The angular distributions of Z = 1,2, and >= 3 projectile fragments are narrow, and the dispersion of the distribution decreases with the increasing of Z. The production cross section of the reaction 12 C + Em → Li (from the projectile) + anything is about 6 x 10 -3 sigmasub(in). Only the projectile-fragmentation events, nsub(h) = O, were studied in detail; the percentage of these events is 10% of the total inelastic events. The events with the maximum probability are those in which α-fragment is the maximum-charged projectile fragment emitted. This indicates that the projectile nuclear structure plays an important role in the fragmentation process. In 1.2% of the total events, 12 C has been dissociated into 3 α-particles. (orig.)

Intermittency in {sup 197}Au fragmentation

Energy Technology Data Exchange (ETDEWEB)

Dabrowska, A; Holynski, R; Olszewski, A; Szarska, M; Wilczynska, B; Wolter, W; Wosiek, B [Institute of Nuclear Physics, Cracow (Poland); Cherry, M L; Deines-Jones, P; Jones, W V; Sengupta, K; Wefel, B [Louisiana State Univ., Baton Rouge, LA (United States). Dept. of Physics and Astronomy; Waddington, C J [Minnesota Univ., Minneapolis, MN (United States). School of Physics and Astronomy; Pozharova, E A; Skorodko, T Yu [Inst. of Theoretical and Experimental Physics, Moscow (Russian Federation); KLMM Collaboration

1995-07-01

The concept of factorial moments was applied to an analysis of the dynamical fluctuations in the charge distributions of the fragments emitted from gold nuclei with energies 10.6 and < 1.0 GeV/n interacting with emulsion nuclei. Clear evidence for intermittent fluctuations has been found in an analysis using all the particles released from the gold projectile, with a stronger effect observed below 1 GeV/n than at 10.6 GeV/n. For the full data sets, however, the intermittency effect was found to be very sensitive to the singly charged particles, and neglecting these particles strongly reduces the intermittency signal. When the analysis is restricted to the multiply charged fragments, an intermittency effect is revealed only for multifragmentation events, although one that is enhanced as compared to the analysis of all, singly and multiply charged, particles. The properties of the anomalous fractal dimensions suggest a sequential decay mechanism, rather than the existence of possible critical behaviour in the process of nuclear fragmentation. The likely influence of the charge conservation effects and the finite size of decaying systems on the observed intermittency signals was pointed out. (author). 37 refs, 9 figs, 5 tabs.

Validation of Geant4 fragmentation for Heavy Ion Therapy

Science.gov (United States)

Bolst, David; Cirrone, Giuseppe A. P.; Cuttone, Giacomo; Folger, Gunter; Incerti, Sebastien; Ivanchenko, Vladimir; Koi, Tatsumi; Mancusi, Davide; Pandola, Luciano; Romano, Francesco; Rosenfeld, Anatoly B.; Guatelli, Susanna

2017-10-01

12C ion therapy has had growing interest in recent years for its excellent dose conformity. However at therapeutic energies, which can be as high as 400 MeV/u, carbon ions produce secondary fragments. For an incident 400 MeV/u 12C ion beam, ∼ 70 % of the beam will undergo fragmentation before the Bragg Peak. The dosimetric and radiobiological impact of these fragments must be accurately characterised, as it can result in increasing the risk of secondary cancer for the patient as well as altering the relative biological effectiveness. This work investigates the accuracy of three different nuclear fragmentation models available in the Monte Carlo Toolkit Geant4, the Binary Intranuclear Cascade (BIC), the Quantum Molecular Dynamics (QMD) and the Liege Intranuclear Cascade (INCL++). The models were benchmarked against experimental data for a pristine 400 MeV/u 12C beam incident upon a water phantom, including fragment yield, angular and energy distribution. For fragment yields the three alternative models agreed between ∼ 5 and ∼ 35 % with experimental measurements, the QMD using the "Frag" option gave the best agreement for lighter fragments but had reduced agreement for larger fragments. For angular distributions INCL++ was seen to provide the best agreement among the models for all elements with the exception of Hydrogen, while BIC and QMD was seen to produce broader distributions compared to experiment. BIC and QMD performed similar to one another for kinetic energy distributions while INCL++ suffered from producing lower energy distributions compared to the other models and experiment.

Semiempirical Theoretical Studies of 1,3-Benzodioxole Derivatives as Corrosion Inhibitors

Directory of Open Access Journals (Sweden)

Omnia A. A. El-Shamy

2017-01-01

Full Text Available The efficiency of 1,3-benzodioxole derivatives as corrosion inhibitors is theoretically studied using quantum chemical calculation and Quantitative Structure Activity Relationship (QSAR. Different semiempirical methods (AM1, PM3, MNDO, MINDO/3, and INDO are applied in order to determine the relationship between molecular structure and their corrosion protection efficiencies. Different quantum parameters are obtained as the energy of highest occupied molecular orbital EHOMO, the energy of the lowest unoccupied molecular orbital ELUMO, energy gap ΔEg, dipole moment μ, and Mulliken charge on the atom. QSAR approach is applied to elucidate some important parameters as the hydrophobicity (Log P, surface area (S.A, polarization (P, and hydration energy (EHyd.

Study of stochastic approaches of the n-bodies problem: application to the nuclear fragmentation; Etude des approches stochastiques du probleme a N corps: application a la multifragmentation nucleaire

Energy Technology Data Exchange (ETDEWEB)

Guarnera, A.

1996-07-09

In the last decade nuclear physics research has found, with the observation of phenomena such as multifragmentation or vaporization, the possibility to get a deeper insight into the nuclear matter phase diagram. For example, a spinodal decomposition scenario has been proposed to explain the multifragmentation: because of the initial compression, the system may enter a region, the spinodal zone, in which the nuclear matter is no longer stable, and so any fluctuation leads to the formation of fragments. This thesis deals with spinodal decomposition within the theoretical framework of stochastic mean filed approaches, in which the one-body density function may experience a stochastic evolution. We have shown that these approaches are able to describe phenomena, such as first order phase transitions, in which fluctuations and many-body correlations plan an important role. In the framework of stochastic mean-filed approaches we have shown that the fragment production by spinodal decomposition is characterized by typical time scales of the order of 100 fm/c and by typical size scales around the Neon mass. We have also shown that these features are robust and that they are not affected significantly by a possible expansion of the system or by the finite size of nuclei. We have proposed as a signature of the spinodal decomposition some typical partition of the largest fragments. The study and the comparison with experimental data, performed for the reactions Xe + Cu at 45 MeV/A and Xe + Sn at 50 MeV/A, have shown a remarkable agreement. Moreover we would like to stress that the theory does not contain any adjustable parameter. These results seem to give a strong indication of the possibility to observe a spinodal decomposition of nuclei. (author).

Virtual fragment preparation for computational fragment-based drug design.

Science.gov (United States)

Ludington, Jennifer L

2015-01-01

Fragment-based drug design (FBDD) has become an important component of the drug discovery process. The use of fragments can accelerate both the search for a hit molecule and the development of that hit into a lead molecule for clinical testing. In addition to experimental methodologies for FBDD such as NMR and X-ray Crystallography screens, computational techniques are playing an increasingly important role. The success of the computational simulations is due in large part to how the database of virtual fragments is prepared. In order to prepare the fragments appropriately it is necessary to understand how FBDD differs from other approaches and the issues inherent in building up molecules from smaller fragment pieces. The ultimate goal of these calculations is to link two or more simulated fragments into a molecule that has an experimental binding affinity consistent with the additive predicted binding affinities of the virtual fragments. Computationally predicting binding affinities is a complex process, with many opportunities for introducing error. Therefore, care should be taken with the fragment preparation procedure to avoid introducing additional inaccuracies.This chapter is focused on the preparation process used to create a virtual fragment database. Several key issues of fragment preparation which affect the accuracy of binding affinity predictions are discussed. The first issue is the selection of the two-dimensional atomic structure of the virtual fragment. Although the particular usage of the fragment can affect this choice (i.e., whether the fragment will be used for calibration, binding site characterization, hit identification, or lead optimization), general factors such as synthetic accessibility, size, and flexibility are major considerations in selecting the 2D structure. Other aspects of preparing the virtual fragments for simulation are the generation of three-dimensional conformations and the assignment of the associated atomic point charges.

Semi-Empirical Calibration of the Integral Equation Model for Co-Polarized L-Band Backscattering

Directory of Open Access Journals (Sweden)

Nicolas Baghdadi

2015-10-01

Full Text Available The objective of this paper is to extend the semi-empirical calibration of the backscattering Integral Equation Model (IEM initially proposed for Synthetic Aperture Radar (SAR data at C- and X-bands to SAR data at L-band. A large dataset of radar signal and in situ measurements (soil moisture and surface roughness over bare soil surfaces were used. This dataset was collected over numerous agricultural study sites in France, Luxembourg, Belgium, Germany and Italy using various SAR sensors (AIRSAR, SIR-C, JERS-1, PALSAR-1, ESAR. Results showed slightly better simulations with exponential autocorrelation function than with Gaussian function and with HH than with VV. Using the exponential autocorrelation function, the mean difference between experimental data and Integral Equation Model (IEM simulations is +0.4 dB in HH and −1.2 dB in VV with a Root Mean Square Error (RMSE about 3.5 dB. In order to improve the modeling results of the IEM for a better use in the inversion of SAR data, a semi-empirical calibration of the IEM was performed at L-band in replacing the correlation length derived from field experiments by a fitting parameter. Better agreement was observed between the backscattering coefficient provided by the SAR and that simulated by the calibrated version of the IEM (RMSE about 2.2 dB.

Effectiveness in detecting fission fragments with ionization chambers

International Nuclear Information System (INIS)

Manrique Garcia, J.; Monne, G.

1991-01-01

Detection of fission fragments is important in nuclear measurements. When a high detection accuracy is required it is necessary to take in account the detection losses due to the absorption of fragments in the fissionable material. The losses corrections might change the final results in 2-3%. The traditional expression used in the calculation of the detection efficiency does not consider neither the density variation of the fissionable substance with its width, because it depends on the target material. That's why actually in many labs it is being searched new methods that allow to find the efficiency for each target. In this work a new method for determination of absorption efficiency is presented. The obtained results are analyzed

Nuclear core catchers

International Nuclear Information System (INIS)

Golden, M.P.; Tilbrook, R.W.; Heylmun, N.F.

1976-01-01

A receptacle is described for taking the molten fragments of a nuclear reactor during a reactor core fusion accident. The receptacle is placed under the reactor. It includes at least one receptacle for the reactor core fragments, with a dome shaped part to distribute the molten fragments and at least one outside layer of alumina bricks around the dome. The characteristic of this receptacle is that the outer layer of bricks contains neutron poison rods which pass through the bricks and protrude in relation to them [fr

Projectile fragmentation of a weakly-bound 11Be nucleus at 0.8 GeV/nucleon

International Nuclear Information System (INIS)

Kobayashi, T.

1990-01-01

The projectile fragmentation of a weakly-bound 11 Be projectile has been measured on a carbon target at 0.8 GeV/nucleon. The transverse momentum distribution of 10 Be fragments showed a two-Gaussian structure: a narrow component with σ ∼ 25 MeV/c on top of a wide component with σ ∼ 110 MeV/c. As in the case of 11 Li fragmentation, the narrow momentum distribution indicates a long tail in the neutron density distribution which is consistent with the large nuclear matter radius of the 11 Be nucleus. Neutrons were also measured in coincidence with 10 Be fragments. In contrast to 10 Be fragments, no narrow momentum distribution was observed for coincident neutrons

Nucleus fragmentation induced by a high-energy hadron. Pt. 2

International Nuclear Information System (INIS)

Zielinski, P.

1981-09-01

The author compares some experimental results concerning the emission of 8 Li nuclei in hadron induced reactions from nuclear emulsions. Especially he considers the vanishing of the Coulomb barrier, fission-like processes, and the rise of the heavy fragment yield with energy-transfer. (HSI) [de

Inverse kinematics technique for the study of fission-fragment isotopic yields at GANIL energies

International Nuclear Information System (INIS)

Delaune, O.

2012-01-01

The characteristics of the fission-products distributions result of dynamical and quantum properties of the deformation process of the fissioning nucleus. These distributions have also an interest for the conception of new nuclear power plants or for the transmutation of the nuclear wastes. Up to now, our understanding of the nuclear fission remains restricted because of experimental limitations. In particular, yields of the heavy fission products are difficult to get with precision. In this work, an innovative experimental technique is presented. It is based on the use of inverse kinematics coupled to the use of a spectrometer, in which a 238 U beam at 6 or 24 A MeV impinges on light targets. Several actinides, from 238 U to 250 Cf, are produced by transfer or fusion reactions, with an excitation energy ranges from ten to few hundreds MeV depending on the reaction and the beam energy. The fission fragments of these actinides are detected by the VAMOS spectrometer or the LISE separator. The isotopic yields of fission products are completely measured for different fissioning systems. The neutron excess of the fragments is used to characterise the isotopic distributions. Its evolution with excitation energy gives important insights on the mechanisms of the compound-nucleus formation and its deexcitation. Neutron excess is also used to determine the multiplicity of neutrons evaporated by the fragments. The role of the proton and neutron shell effects into the formation of fission fragments is also discussed. (author) [fr

A semiempirical linear model of indirect, flat-panel x-ray detectors

Energy Technology Data Exchange (ETDEWEB)

Huang, Shih-Ying; Yang Kai; Abbey, Craig K.; Boone, John M. [Department of Biomedical Engineering, University of California, Davis, California, One Shields Avenue, Davis, California 95616 (United States) and Department of Radiology, University of California, Davis, Medical Center, 4860 Y Street, Ambulatory Care Center Suite 0505, Sacramento, California 95817 (United States); Department of Radiology, University of California, Davis, Medical Center, 4860 Y Street, Ambulatory Care Center Suite 0505, Sacramento, California 95817 (United States); Department of Psychological and Brain Sciences, University of California, Santa Barbara, California 92106 (United States); Department of Biomedical Engineering, University of California, Davis, California, One Shields Avenue, Davis, California 95616 (United States) and Department of Radiology, University of California, Davis, Medical Center, 4860 Y Street, Ambulatory Care Center Suite 3100, Sacramento, California 95817 (United States)

2012-04-15

Purpose: It is important to understand signal and noise transfer in the indirect, flat-panel x-ray detector when developing and optimizing imaging systems. For optimization where simulating images is necessary, this study introduces a semiempirical model to simulate projection images with user-defined x-ray fluence interaction. Methods: The signal and noise transfer in the indirect, flat-panel x-ray detectors is characterized by statistics consistent with energy-integration of x-ray photons. For an incident x-ray spectrum, x-ray photons are attenuated and absorbed in the x-ray scintillator to produce light photons, which are coupled to photodiodes for signal readout. The signal mean and variance are linearly related to the energy-integrated x-ray spectrum by empirically determined factors. With the known first- and second-order statistics, images can be simulated by incorporating multipixel signal statistics and the modulation transfer function of the imaging system. To estimate the semiempirical input to this model, 500 projection images (using an indirect, flat-panel x-ray detector in the breast CT system) were acquired with 50-100 kilovolt (kV) x-ray spectra filtered with 0.1-mm tin (Sn), 0.2-mm copper (Cu), 1.5-mm aluminum (Al), or 0.05-mm silver (Ag). The signal mean and variance of each detector element and the noise power spectra (NPS) were calculated and incorporated into this model for accuracy. Additionally, the modulation transfer function of the detector system was physically measured and incorporated in the image simulation steps. For validation purposes, simulated and measured projection images of air scans were compared using 40 kV/0.1-mm Sn, 65 kV/0.2-mm Cu, 85 kV/1.5-mm Al, and 95 kV/0.05-mm Ag. Results: The linear relationship between the measured signal statistics and the energy-integrated x-ray spectrum was confirmed and incorporated into the model. The signal mean and variance factors were linearly related to kV for each filter material (r

A semiempirical linear model of indirect, flat-panel x-ray detectors

International Nuclear Information System (INIS)

Huang, Shih-Ying; Yang Kai; Abbey, Craig K.; Boone, John M.

2012-01-01

Purpose: It is important to understand signal and noise transfer in the indirect, flat-panel x-ray detector when developing and optimizing imaging systems. For optimization where simulating images is necessary, this study introduces a semiempirical model to simulate projection images with user-defined x-ray fluence interaction. Methods: The signal and noise transfer in the indirect, flat-panel x-ray detectors is characterized by statistics consistent with energy-integration of x-ray photons. For an incident x-ray spectrum, x-ray photons are attenuated and absorbed in the x-ray scintillator to produce light photons, which are coupled to photodiodes for signal readout. The signal mean and variance are linearly related to the energy-integrated x-ray spectrum by empirically determined factors. With the known first- and second-order statistics, images can be simulated by incorporating multipixel signal statistics and the modulation transfer function of the imaging system. To estimate the semiempirical input to this model, 500 projection images (using an indirect, flat-panel x-ray detector in the breast CT system) were acquired with 50-100 kilovolt (kV) x-ray spectra filtered with 0.1-mm tin (Sn), 0.2-mm copper (Cu), 1.5-mm aluminum (Al), or 0.05-mm silver (Ag). The signal mean and variance of each detector element and the noise power spectra (NPS) were calculated and incorporated into this model for accuracy. Additionally, the modulation transfer function of the detector system was physically measured and incorporated in the image simulation steps. For validation purposes, simulated and measured projection images of air scans were compared using 40 kV/0.1-mm Sn, 65 kV/0.2-mm Cu, 85 kV/1.5-mm Al, and 95 kV/0.05-mm Ag. Results: The linear relationship between the measured signal statistics and the energy-integrated x-ray spectrum was confirmed and incorporated into the model. The signal mean and variance factors were linearly related to kV for each filter material (r 2 of

A semiempirical linear model of indirect, flat-panel x-ray detectors.

Science.gov (United States)

Huang, Shih-Ying; Yang, Kai; Abbey, Craig K; Boone, John M

2012-04-01

It is important to understand signal and noise transfer in the indirect, flat-panel x-ray detector when developing and optimizing imaging systems. For optimization where simulating images is necessary, this study introduces a semiempirical model to simulate projection images with user-defined x-ray fluence interaction. The signal and noise transfer in the indirect, flat-panel x-ray detectors is characterized by statistics consistent with energy-integration of x-ray photons. For an incident x-ray spectrum, x-ray photons are attenuated and absorbed in the x-ray scintillator to produce light photons, which are coupled to photodiodes for signal readout. The signal mean and variance are linearly related to the energy-integrated x-ray spectrum by empirically determined factors. With the known first- and second-order statistics, images can be simulated by incorporating multipixel signal statistics and the modulation transfer function of the imaging system. To estimate the semiempirical input to this model, 500 projection images (using an indirect, flat-panel x-ray detector in the breast CT system) were acquired with 50-100 kilovolt (kV) x-ray spectra filtered with 0.1-mm tin (Sn), 0.2-mm copper (Cu), 1.5-mm aluminum (Al), or 0.05-mm silver (Ag). The signal mean and variance of each detector element and the noise power spectra (NPS) were calculated and incorporated into this model for accuracy. Additionally, the modulation transfer function of the detector system was physically measured and incorporated in the image simulation steps. For validation purposes, simulated and measured projection images of air scans were compared using 40 kV∕0.1-mm Sn, 65 kV∕0.2-mm Cu, 85 kV∕1.5-mm Al, and 95 kV∕0.05-mm Ag. The linear relationship between the measured signal statistics and the energy-integrated x-ray spectrum was confirmed and incorporated into the model. The signal mean and variance factors were linearly related to kV for each filter material (r(2) of signal mean to k

Collective nuclear dynamics. Abstracts

International Nuclear Information System (INIS)

Abrosimov, V.I.; Kolomietz, V.M.

1994-01-01

The fourth International school on nuclear physics was help on 29 Aug - 7 Sep, 1994 in Ukraine. The specialists discussed following subjects: liquid drop and the shell correction method; nuclear deformation energy and fission; nuclear structure at high spins, superdeformed states, structure of excited and exotic nuclei; nuclear fluid dynamics and large scale collective motion; order and chaos as they relate to the collective motion; quantum and interference phenomena in nuclear collisions; quasi-fission and multinucleon fragmentation effects; shell effects in non-nuclear systems; new nuclear facilities

Collective nuclear dynamics. Proceedings

International Nuclear Information System (INIS)

Ivanyuk, F.A.

1994-01-01

The Fourth International school on nuclear physics was help on 29 Aug - 7 Sep, 1994 in Ukraine. The specialists discussed following subjects:liquid drop and the shell correction method; nuclear deformation energy and fission; nuclear structure at high spins, superdeformed states, structure of excited and exotic nuclei; nuclear fluid dynamics and large scale collective motion; order and chaos as they relate to the collective motion; quantum and interference phenomena in nuclear collisions; quasi-fission and multinucleon fragmentation effects; shell effects in non-nuclear systems; new nuclear facilities

Collective nuclear dynamics. Proceedings.

Energy Technology Data Exchange (ETDEWEB)

Ivanyuk, F A [eds.

1994-12-31

The Fourth International school on nuclear physics was help on 29 Aug - 7 Sep, 1994 in Ukraine. The specialists discussed following subjects:liquid drop and the shell correction method; nuclear deformation energy and fission; nuclear structure at high spins, superdeformed states, structure of excited and exotic nuclei; nuclear fluid dynamics and large scale collective motion; order and chaos as they relate to the collective motion; quantum and interference phenomena in nuclear collisions; quasi-fission and multinucleon fragmentation effects; shell effects in non-nuclear systems; new nuclear facilities.

Intermittency in nuclear multifragmentation

International Nuclear Information System (INIS)

Ploszajczak, M.; Tucholski, A.

1990-07-01

Fluctuations of the fragment size distribution in a percolation model and in nuclear multifragmentation following the breakup of high energy nuclei in the nuclear emulsion are studied using the method of scaled factorial moments. An intermittent patern of fluctuations is found in the data as well as in the percolation lattice calculation. This is a consequence of both a self-similarity in the fragment size distribution and a random character for the scaling law. These fluctuations are in general well-described by percolation model. The multifractal dimensions are calculated and their relevance to the study of possible critical behaviour is pointed out. (orig.)

FIRST experiment: Fragmentation of Ions Relevant for Space and Therapy

International Nuclear Information System (INIS)

Agodi, C; Bondì, M; Cavallaro, M; Carbone, D; Cirrone, G A P; Cuttone, G; Abou-Haidar, Z; Alvarez, M A G; Bocci, A; Aumann, T; Durante, M; Balestra, F; Battistoni, G; Bohlen, T T; Boudard, A; Brunetti, A; Carpinelli, M; Cappuzzello, F; Cortes-Giraldo, M A; Napoli, M De

2013-01-01

Nuclear fragmentation processes are relevant in different fields of basic research and applied physics and are of particular interest for tumor therapy and for space radiation protection applications. The FIRST (Fragmentation of Ions Relevant for Space and Therapy) experiment at SIS accelerator of GSI laboratory in Darmstadt, has been designed for the measurement of different ions fragmentation cross sections at different energies between 100 and 1000 MeV/nucleon. The experiment is performed by an international collaboration made of institutions from Germany, France, Italy and Spain. The experimental apparatus is partly based on an already existing setup made of the ALADIN magnet, the MUSIC IV TPC, the LAND2 neutron detector and the TOFWALL scintillator TOF system, integrated with newly designed detectors in the interaction Region (IR) around the carbon removable target: a scintillator Start Counter, a Beam Monitor drift chamber, a silicon Vertex Detector and a Proton Tagger for detection of light fragments emitted at large angles (KENTROS). The scientific program of the FIRST experiment started on summer 2011 with the study of the 400 MeV/nucleon 12C beam fragmentation on thin (8 mm) carbon target.

FIRST experiment: Fragmentation of Ions Relevant for Space and Therapy

Science.gov (United States)

Agodi, C.; Abou-Haidar, Z.; Alvarez, M. A. G.; Aumann, T.; Balestra, F.; Battistoni, G.; Bocci, A.; Bohlen, T. T.; Bondì, M.; Boudard, A.; Brunetti, A.; Carpinelli, M.; Cappuzzello, F.; Cavallaro, M.; Carbone, D.; Cirrone, G. A. P.; Cortes-Giraldo, M. A.; Cuttone, G.; De Napoli, M.; Durante, M.; Fernandez-Garcia, J. P.; Finck, C.; Foti, A.; Gallardo, M. I.; Golosio, B.; Iarocci, E.; Iazzi, F.; Ickert, G.; Introzzi, R.; Juliani, D.; Krimmer, J.; Kurz, N.; Labalme, M.; Lavagno, A.; Leifels, Y.; Le Fevre, A.; Leray, S.; Marchetto, F.; Monaco, V.; Morone, M. C.; Nicolosi, D.; Oliva, P.; Paoloni, A.; Patera, V.; Piersanti, L.; Pleskac, R.; Quesada, J. M.; Randazzo, N.; Romano, F.; Rossi, D.; Rosso, V.; Rousseau, M.; Sacchi, R.; Sala, P.; Sarti, A.; Scheidenberger, C.; Schuy, C.; Sciubba, A.; Sfienti, C.; Simon, H.; Sipala, V.; Spiriti, E.; Stuttge, L.; Tropea, S.; Younis, H.

2013-03-01

Nuclear fragmentation processes are relevant in different fields of basic research and applied physics and are of particular interest for tumor therapy and for space radiation protection applications. The FIRST (Fragmentation of Ions Relevant for Space and Therapy) experiment at SIS accelerator of GSI laboratory in Darmstadt, has been designed for the measurement of different ions fragmentation cross sections at different energies between 100 and 1000 MeV/nucleon. The experiment is performed by an international collaboration made of institutions from Germany, France, Italy and Spain. The experimental apparatus is partly based on an already existing setup made of the ALADIN magnet, the MUSIC IV TPC, the LAND2 neutron detector and the TOFWALL scintillator TOF system, integrated with newly designed detectors in the interaction Region (IR) around the carbon removable target: a scintillator Start Counter, a Beam Monitor drift chamber, a silicon Vertex Detector and a Proton Tagger for detection of light fragments emitted at large angles (KENTROS). The scientific program of the FIRST experiment started on summer 2011 with the study of the 400 MeV/nucleon 12C beam fragmentation on thin (8mm) carbon target.

Feasibility of Traveling Wave Direct Energy Conversion of Fission Reaction Fragments

Science.gov (United States)

Tarditi, A. G.; George, J. A.; Miley, G. H.; Scott, J. H.

2013-01-01

Fission fragment direct energy conversion has been considered in the past for the purpose of increasing nuclear power plant efficiency and for advanced space propulsion. Since the fragments carry electric charge (typically in the order of 20 e) and have 100 MeV-range kinetic energy, techniques utilizing very high-voltage DC electrodes have been considered. This study is focused on a different approach: the kinetic energy of the charged fission fragments is converted into alternating current by means of a traveling wave coupling scheme (Traveling Wave Direct Energy Converter, TWDEC), thereby not requiring the utilization of high voltage technology. A preliminary feasibility analysis of the concept is introduced based on a conceptual level study and on a particle simulation model of the beam dynamics.

Nonlinear transient responses of beams and rings to impulse loading or fragment impact

International Nuclear Information System (INIS)

Witmer, E.A.; Stagliano, T.R.; Rodal, J.J.A.

1977-01-01

Nuclear power plant protective structures may be subjected to various external missiles such as aircraft and tornado-generated missiles: telephone poles, planks, pipes, rods, automobiles, and other blown vehicles. Also, 'internally-generated missiles' such as fragments from powerplant rotors and aircraft engine rotors may impact protective structures. The present paper is concerned with a very limited part of the cited fragment threat; namely, fragments from high speed rotating machinery such as (1) aircraft engine rotors and (2) stationary power plant turbine rotors. Further, it is assumed that the structures intended to contain or control these fragments consist of initially-isotopic elastic-plastic metals. Certain potential containment/control (C/C) structures behave in a planar (or two-dimensional) fashion while other fragment-attacked C/C structures will undergo general three-dimensional deformations. Predictions for only the former category of fragment-attacked structures are discussed in the present paper. Pertinent experimental data discussed on fragment-attacked structures include (a) steel-sphere impact data involving beam targets and (b) engine rotor fragment impact against a steel containment ring. In all of these cases large-deflection, elastic-plastic transient structural responses occur. (Auth.)

Studies of Fission Fragment Rocket Engine Propelled Spacecraft

Science.gov (United States)

Werka, Robert O.; Clark, Rodney; Sheldon, Rob; Percy, Thomas K.

2014-01-01

The NASA Office of Chief Technologist has funded from FY11 through FY14 successive studies of the physics, design, and spacecraft integration of a Fission Fragment Rocket Engine (FFRE) that directly converts the momentum of fission fragments continuously into spacecraft momentum at a theoretical specific impulse above one million seconds. While others have promised future propulsion advances if only you have the patience, the FFRE requires no waiting, no advances in physics and no advances in manufacturing processes. Such an engine unequivocally can create a new era of space exploration that can change spacecraft operation. The NIAC (NASA Institute for Advanced Concepts) Program Phase 1 study of FY11 first investigated how the revolutionary FFRE technology could be integrated into an advanced spacecraft. The FFRE combines existent technologies of low density fissioning dust trapped electrostatically and high field strength superconducting magnets for beam management. By organizing the nuclear core material to permit sufficient mean free path for escape of the fission fragments and by collimating the beam, this study showed the FFRE could convert nuclear power to thrust directly and efficiently at a delivered specific impulse of 527,000 seconds. The FY13 study showed that, without increasing the reactor power, adding a neutral gas to the fission fragment beam significantly increased the FFRE thrust through in a manner analogous to a jet engine afterburner. This frictional interaction of gas and beam resulted in an engine that continuously produced 1000 pound force of thrust at a delivered impulse of 32,000 seconds, thereby reducing the currently studied DRM 5 round trip mission to Mars from 3 years to 260 days. By decreasing the gas addition, this same engine can be tailored for much lower thrust at much higher impulse to match missions to more distant destinations. These studies created host spacecraft concepts configured for manned round trip journeys. While the

A semi-empirical method for measuring thickness of pipe-wall using gamma scattering technique

International Nuclear Information System (INIS)

Vo Hoang Nguyen; Hua Tuyet Le; Le Dinh Minh Quan; Hoang Duc Tam; Le Bao Tran; Tran Thien Thanh; Tran Nguyen Thuy Ngan; Chau Van Tao; VNUHCM-University of Science, Ho Chi Minh City; Huynh Dinh Chuong

2016-01-01

In this work, we propose a semi-empirical method for determining the thickness of pipe-wall, of which the determination is performed by combining the experimental and Monte Carlo simulation data. The testing measurements show that this is an efficient method to measure the thickness of pipe-wall. In addition, this work also shows that it could use a NaI(Tl) scintillation detector and a low activity source to measure the thickness of pipe-wall, which is simple, quick and high accuracy method. (author)

Nuclear dynamics in heavy ion induced fusion-fission reactions

International Nuclear Information System (INIS)

Kapoor, S.S.

1992-01-01

Heavy ion induced fission and fission-like reactions evolve through a complex nuclear dynamics encountered in the medium energy nucleus-nucleus collisions. In the recent years, measurements of the fragment-neutron and fragment-charged particle angular correlations in heavy ion induced fusion-fission reactions, have provided new information on the dynamical times of nuclear deformations of the initial dinuclear complex to the fission saddle point and the scission point. From the studies of fragment angular distributions in heavy ion induced fission it has been possible to infer the relaxation times of the dinuclear complex in the K-degree of freedom and our recent measurements on the entrance channel dependence of fragment anisotropies have provided an experimental signature of the presence of fissions before K-equilibration. This paper reviews recent experimental and theoretical status of the above studies with particular regard to the questions relating to dynamical times, nuclear dissipation and the effect of nuclear dissipation on the K-distributions at the fission saddle in completely equilibrated compound nucleus. (author). 19 refs., 9 figs

An intranuclear cascade-percolation approach for protons and light fragments production in neon-niobium reactions at 400 and 800 MeV per nucleon

International Nuclear Information System (INIS)

Montarou, G.; Marroncle, J.; Alard, J.P.; Augerat, J.; Bastid, N.; Charmensat, P.; Dupieux, P.; Fraysse, L.; Parizet, M.J.; Rahmani, A.; Brochard, F.; Gorodetzky, P.; Racca, C.; Cugnon, J.

1992-01-01

The results of intranuclear cascade calculations (ideal gas with two body collisions and no mean-field), complemented by a simple percolation procedure, are compared with experimental data on protons and light nuclear fragments (d, t, 3 He and 4 He) measured in 400 and 800 MeV/nucleon Ne+Nb collisions using the large solid angle detector DIOGENE. The model reproduces quite well global experimental observables like nuclear fragment multiplicity distributions or production cross-sections, and nuclear fragment to proton ratios. For rapidity distributions the best agreement occurs for peripheral reactions. Transverse momentum analysis confirms once again that the cascade, although being a microscopic approach, gives too small a collective flow. For heavier nuclear fragments conclusions are not so clear. Since the cross-sections are the main ingredients of the detailed treatment of the first stage of the reaction by the intranuclear cascade, such an approach can be very fruitful in order to infer informations on effective nucleon-nucleon cross-sections. (authors). 31 refs., 23 figs., 6 tabs

Jet axes and universal transverse-momentum- dependent fragmentation

International Nuclear Information System (INIS)

Neill, Duff; Scimemi, Ignazio; Waalewijn, Wouter J.

2017-01-01

We study the transverse momentum spectrum of hadrons in jets. By measuring the transverse momentum with respect to a judiciously chosen axis, we find that this observable is insensitive to (the recoil of) soft radiation. Furthermore, for small transverse momenta we show that the effects of the jet boundary factorize, leading to a new transverse-momentum-dependent (TMD) fragmentation function. In contrast to the usual TMD fragmentation functions, it does not involve rapidity divergences and is universal in the sense that it is independent of the type of process and number of jets. These results directly apply to sub-jets instead of hadrons. We discuss potential applications, which include studying nuclear modification effects in heavy-ion collisions and identifying boosted heavy resonances.

Nuclear data relevant to single event upsets in semiconductor memories induced by cosmic-ray neutrons and protons

International Nuclear Information System (INIS)

Watanabe, Yukinobu

2008-01-01

The role of nuclear data is examined in the study of single event upset (SEU) phenomena in semiconductor memories caused by cosmic-ray neutrons and protons. Neutron and proton SEU cross sections are calculated with a simplified semi-empirical model using experimental heavy-ion SEU cross-sections and a dedicated database of neutron and proton induced reactions on 28 Si. Some impacts of the nuclear reaction data on SEU simulation are analyzed by investigating relative contribution of secondary ions and neutron elastic scattering to SEU and influence of simultaneous multiple ions emission on SEU. (author)

Reconversion of nuclear weapons

CERN Document Server

Kapitza, Sergei P

1992-01-01

The nuclear predicament or nuclear option. Synopsis of three lectures : 1- The physical basis of nuclear technology. Physics of fission. Chain reaction in reactors and weapons. Fission fragments. Separration of isotopes. Radiochemistry.2- Nuclear reactors with slow and fast neutrons. Power, size, fuel and waste. Plutonium production. Dose rate, shielding and health hazard. The lessons of Chernobyl3- Nuclear weapons. Types, energy, blast and fallout. Fusion and hydrogen bombs. What to do with nuclear weapons when you cannot use them? Testing. Nonmilittary use. Can we get rid of the nuclear weapon? Nuclear proliferation. Is there a nuclear future?

Aggregation of fragmented chromatin associated with the appearance of products of its nuclease treatment

International Nuclear Information System (INIS)

Lobanenkov, V.V.; Mironov, N.M.; Kupriyanova, E.I.; Shapot, V.S.

1986-01-01

Isolated cell nuclei were incubated with nucleases, and then the chromatin was extracted with a low-salt buffer. When degradation of the nuclear chromatin DNase I or micrococcal nuclease is intensified, solubilization of the deoxyribonucleoprotein (DNP) in low-salt buffer at first increases, reaching a maximum in the case of hydrolysis of 2-4% of the nuclear DNA, but after intensive treatment with nucleases, it decreases sharply. Soluble fragmented chromatin is aggregated during treatment with DNase I. The addition of exogenous products of nuclease treatment of isolated nuclei to a preparation of gelatinous chromatin induces its aggregation. Pretreatment of nuclear chromatin with RNase prevents the solubilization of DNP by solutions with low ionic strength. Certain experimental data obtained using rigorous nuclease treatment are discussed; for their interpretation it is necessary to consider the effect of aggregation of fragmented chromatin by products of its nuclease degradation

Strong Nuclear Gravitational Constant and the Origin of Nuclear Planck Scale

Directory of Open Access Journals (Sweden)

Seshavatharam U. V. S.

2010-07-01

Full Text Available Whether it may be real or an equivalent, existence of strong nuclear gravitational con- stant G S is assumed. Its value is obtained from Fermi’s weak coupling constant as G S = 6 : 9427284 10 31 m 3 / kg sec 2 and thus “nuclear planck scale” is defined. For strong interaction existence of a new integral charged “confined fermion” of mass 105.383 MeV is assumed. Strong coupling constant is the ratio of nuclear planck energy = 11.97 MeV and assumed 105.383 MeV. 1 s = X s is defined as the strong interaction mass gen- erator. With 105.383 MeV fermion various nuclear unit radii are fitted. Fermi’s weak coupling constant, strong interaction upper limit and Bohr radius are fitted at funda- mental level. Considering Fermi’s weak coupling constant and nuclear planck length a new number X e = 294.8183 is defined for fitting the electron, muon and tau rest masses. Using X s , X e and 105 : 32 = 0 : 769 MeV as the Coulombic energy constant = E c , en- ergy coe cients of the semi-empirical mass formula are estimated as E v = 16 : 32 MeV ; E s = 19 : 37 MeV ; E a = 23 : 86 MeV and E p = 11 : 97 MeV where Coulombic energy term contains [ Z ] 2 : Starting from Z = 2 nuclear binding energy is fitted with two terms along with only one energy constant = 0.769 MeV. Finally nucleon mass and its excited levels are fitted.

Calculation of the viscosity of nuclear waste glass systems

International Nuclear Information System (INIS)

Shah, R.; Behrman, E.C.; Oksoy, D.

1990-01-01

Viscosity is one of the most important processing parameters and one of the most difficult to calculate theoretically, particularly for multicomponent systems like nuclear waste glasses. Here, the authors propose a semi-empirical approach based on the Fulcher equation, involving identification of key variables, for which coefficients are then determined by regression analysis. Results are presented for two glass systems, and compared to results of previous workers and to experiment. The authors also sketch a first-order statistical mechanical perturbation theory calculation for the effects on viscosity of a change in composition of the melt

Role of deformed shell effects on the mass asymmetry in nuclear fission of mercury isotopes

International Nuclear Information System (INIS)

Panebianco, Stefano; Sida, Jean-Luc; Goutte, Heloise; Lemaitre, Jean-Francois; Dubray, Noel; Hilaire, Stephane

2012-01-01

Until now, the mass asymmetry in the nuclear fission process has been understood in terms of the strong influence of the nuclear structure of the nascent fragments. Recently, a surprising asymmetric fission has been discovered in the light mercury region and has been interpreted as the result of the influence of the nuclear structure of the parent nucleus, totally discarding the influence of the fragments' structure. To assess the role of the fragment shell effects in the mass asymmetry in this particular region, a scission-point model, based on a full energy balance between the two nascent fragments, has been developed using one of the best theoretical descriptions of microscopic nuclear structure. As for actinides, this approach shows that the asymmetric splitting of the Hg-180 nucleus and the symmetric one of Hg-198 can be understood on the basis of only the microscopic nuclear structure of the fragments at scission. (authors)

Semi-empirical proton binding constants for natural organic matter

Science.gov (United States)

Matynia, Anthony; Lenoir, Thomas; Causse, Benjamin; Spadini, Lorenzo; Jacquet, Thierry; Manceau, Alain

2010-03-01

Average proton binding constants ( KH,i) for structure models of humic (HA) and fulvic (FA) acids were estimated semi-empirically by breaking down the macromolecules into reactive structural units (RSUs), and calculating KH,i values of the RSUs using linear free energy relationships (LFER) of Hammett. Predicted log KH,COOH and log KH,Ph-OH are 3.73 ± 0.13 and 9.83 ± 0.23 for HA, and 3.80 ± 0.20 and 9.87 ± 0.31 for FA. The predicted constants for phenolic-type sites (Ph-OH) are generally higher than those derived from potentiometric titrations, but the difference may not be significant in view of the considerable uncertainty of the acidity constants determined from acid-base measurements at high pH. The predicted constants for carboxylic-type sites agree well with titration data analyzed with Model VI (4.10 ± 0.16 for HA, 3.20 ± 0.13 for FA; Tipping, 1998), the Impermeable Sphere model (3.50-4.50 for HA; Avena et al., 1999), and the Stockholm Humic Model (4.10 ± 0.20 for HA, 3.50 ± 0.40 for FA; Gustafsson, 2001), but differ by about one log unit from those obtained by Milne et al. (2001) with the NICA-Donnan model (3.09 ± 0.51 for HA, 2.65 ± 0.43 for FA), and used to derive recommended generic values. To clarify this ambiguity, 10 high-quality titration data from Milne et al. (2001) were re-analyzed with the new predicted equilibrium constants. The data are described equally well with the previous and new sets of values ( R2 ⩾ 0.98), not necessarily because the NICA-Donnan model is overparametrized, but because titration lacks the sensitivity needed to quantify the full binding properties of humic substances. Correlations between NICA-Donnan parameters are discussed, but general progress is impeded by the unknown number of independent parameters that can be varied during regression of a model fit to titration data. The high consistency between predicted and experimental KH,COOH values, excluding those of Milne et al. (2001), gives faith in the proposed

Fragment emission in relativistic heavy-ion reactions

International Nuclear Information System (INIS)

Csernai, L.P.; Subramanian, P.R.; Buchwald, G.; Graebner, G.; Rosenhauer, A.; Maruhn, J.A.; Greiner, W.

1982-05-01

The authors present a theoretical description of nuclear collisions which consists of a three-dimensional fluid-dynamical model, a chemical equilibrium break-up calculation for local light fragment (i.e. p, n, d, t, 3 He, 4 He) production and a final thermal evaporation of these particles. The light fragment cross section and some properties of the heavy target residues are calculated for the asymmetric systems Ne+U at 400 MeV/N, Ne+Pb at 800 MeV/N and C+Sn at 86 MeV/N. The results of the model calculations are compared with recent experimental data. Several observable signs of the collective hydrodynamical processes are consistent with the present data. An event-by-event analysis of the flow patterns of the various clusters is proposed which can yield deeper insight into collision dynamics. (author)

BARNARD 59: NO EVIDENCE FOR FURTHER FRAGMENTATION

Energy Technology Data Exchange (ETDEWEB)

Roman-Zuniga, C. G. [Instituto de Astronomia, Universidad Nacional Autonoma de Mexico, Km 103 Carr. Tijuana-Ensenada, Ensenada BC 22860 (Mexico); Frau, P.; Girart, J. M. [Institut de Ciencies de l' Espai (CSIC-IEEC), Campus UAB, Facultat de Ciencies, Torre C-5p, 08193 Bellaterra, Catalunya (Spain); Alves, Joao F., E-mail: croman@astrosen.unam.mx [Institute of Astronomy, University of Vienna, Tuerkenschanzstr. 17, 1180 Vienna (Austria)

2012-03-10

The dense molecular clump at the center of the Barnard 59 (B59) complex is the only region in the Pipe Nebula that has formed a small, stellar cluster. The previous analysis of a high-resolution near-IR dust extinction map revealed that the nuclear region in B59 is a massive, mostly quiescent clump of 18.9 M{sub Sun }. The clump shows a monolithic profile, possibly indicating that the clump is on the way to collapse, with no evident fragmentation that could lead to another group of star systems. In this paper, we present new analysis that compares the dust extinction map with a new dust emission radio-continuum map of higher spatial resolution. We confirm that the clump does not show any significant evidence for prestellar fragmentation at scales smaller than those probed previously.

BARNARD 59: NO EVIDENCE FOR FURTHER FRAGMENTATION

International Nuclear Information System (INIS)

Román-Zúñiga, C. G.; Frau, P.; Girart, J. M.; Alves, João F.

2012-01-01

The dense molecular clump at the center of the Barnard 59 (B59) complex is the only region in the Pipe Nebula that has formed a small, stellar cluster. The previous analysis of a high-resolution near-IR dust extinction map revealed that the nuclear region in B59 is a massive, mostly quiescent clump of 18.9 M ☉ . The clump shows a monolithic profile, possibly indicating that the clump is on the way to collapse, with no evident fragmentation that could lead to another group of star systems. In this paper, we present new analysis that compares the dust extinction map with a new dust emission radio-continuum map of higher spatial resolution. We confirm that the clump does not show any significant evidence for prestellar fragmentation at scales smaller than those probed previously.

Application of semiempirical expressions to the alpha and beta radiometry of environmental depositions samples

International Nuclear Information System (INIS)

Perez Tamayo, L.

1996-01-01

Were applied two semiempirical equations exponential beta absorption and Bragg-Kleeman approximation complementary to experimental corrections for beta backscattering and auto absorption of beta and alpha radiations in measurements of environmental depositions samples In the first case was verified the validity of mentioned corrections with an application boundary to mass greater than 300 Pb-210 (0.015 mg/cm 2 ) In the second case, the Bragg-Kleeman approximation combined with the experimental beta corrections, bring a judgment to determine the fundamental alpha and beta emisors samples which results the Pb-210 group

A semiempirical method of applying the dechanneling correction in the extraction of disorder distribution

International Nuclear Information System (INIS)

Walker, R.S.; Thompson, D.A.; Poehlman, S.W.

1977-01-01

The application of single, plural or multiple scattering theories to the determination of defect dechanneling in channeling-backscattering disorder measurements is re-examined. A semiempirical modification to the method is described that results in making the extracted disorder and disorder distribution relatively insensitive to the scattering model employed. The various models and modifications have been applied to the 1 to 2 MeV He + channeling-backscatter data obtained from 20 to 80 keV H + to Ne + bombarded Si, GaP and GaAs at 50 K and 300 K. (author)

The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

Science.gov (United States)

Sikorska, Celina; Puzyn, Tomasz

2015-11-01

The capability of reproducing the open circuit voltages (V oc) of 15 representative C60 fullerene derivatives was tested using the selected quantum mechanical methods (B3LYP, PM6, and PM7) together with the two one-electron basis sets. Certain theoretical treatments (e.g. PM6) were found to be satisfactory for preliminary estimates of the open circuit voltages (V oc), whereas the use of the B3LYP/6-31G(d) approach has been proven to assure highly accurate results. We also examined the structural similarity of 19 fullerene derivatives by employing principle component analysis (PCA). In order to express the structural features of the studied compounds we used molecular descriptors calculated with semi-empirical (PM6 and PM7) and density functional (B3LYP/6-31G(d)) methods separately. In performing PCA, we noticed that semi-empirical methods (i.e. PM6 and PM7) seem satisfactory for molecules, in which one can distinguish the aromatic and the aliphatic parts in the cyclopropane ring of PCBM (phenyl-C61-buteric acid methyl ester) and they significantly overestimate the energy of the highest occupied molecular orbital (E HOMO). The use of the B3LYP functional, however, is recommended for studying methanofullerenes, which closely resemble the structure of PCBM, and for their modifications.

The performance of selected semi-empirical and DFT methods in studying C60 fullerene derivatives

International Nuclear Information System (INIS)

Sikorska, Celina; Puzyn, Tomasz

2015-01-01

The capability of reproducing the open circuit voltages (V oc ) of 15 representative C 60 fullerene derivatives was tested using the selected quantum mechanical methods (B3LYP, PM6, and PM7) together with the two one-electron basis sets. Certain theoretical treatments (e.g. PM6) were found to be satisfactory for preliminary estimates of the open circuit voltages (V oc ), whereas the use of the B3LYP/6-31G(d) approach has been proven to assure highly accurate results. We also examined the structural similarity of 19 fullerene derivatives by employing principle component analysis (PCA). In order to express the structural features of the studied compounds we used molecular descriptors calculated with semi-empirical (PM6 and PM7) and density functional (B3LYP/6-31G(d)) methods separately. In performing PCA, we noticed that semi-empirical methods (i.e. PM6 and PM7) seem satisfactory for molecules, in which one can distinguish the aromatic and the aliphatic parts in the cyclopropane ring of PCBM (phenyl-C 61 -buteric acid methyl ester) and they significantly overestimate the energy of the highest occupied molecular orbital (E HOMO ). The use of the B3LYP functional, however, is recommended for studying methanofullerenes, which closely resemble the structure of PCBM, and for their modifications. (paper)

The performance of selected semi-empirical and DFT methods in studying C₆₀ fullerene derivatives.

Science.gov (United States)

Sikorska, Celina; Puzyn, Tomasz

2015-11-13

The capability of reproducing the open circuit voltages (V(oc)) of 15 representative C60 fullerene derivatives was tested using the selected quantum mechanical methods (B3LYP, PM6, and PM7) together with the two one-electron basis sets. Certain theoretical treatments (e.g. PM6) were found to be satisfactory for preliminary estimates of the open circuit voltages (V(oc)), whereas the use of the B3LYP/6-31G(d) approach has been proven to assure highly accurate results. We also examined the structural similarity of 19 fullerene derivatives by employing principle component analysis (PCA). In order to express the structural features of the studied compounds we used molecular descriptors calculated with semi-empirical (PM6 and PM7) and density functional (B3LYP/6-31G(d)) methods separately. In performing PCA, we noticed that semi-empirical methods (i.e. PM6 and PM7) seem satisfactory for molecules, in which one can distinguish the aromatic and the aliphatic parts in the cyclopropane ring of PCBM (phenyl-C61-buteric acid methyl ester) and they significantly overestimate the energy of the highest occupied molecular orbital (E(HOMO)). The use of the B3LYP functional, however, is recommended for studying methanofullerenes, which closely resemble the structure of PCBM, and for their modifications.

Investigations of nuclear structure and nuclear reactions induced by complex projectiles

International Nuclear Information System (INIS)

Sarantites, D.G.

1990-01-01

This report discusses research in the following areas: nuclear structure; fusion reactions near and below the barrier; incomplete fusion and fragmentation reactions; and instrumentation and analysis. (LSP)

Fission fragment assisted reactor concept for space propulsion: Foil reactor

International Nuclear Information System (INIS)

Wright, S.A.

1991-01-01

The concept is to fabricate a reactor using thin films or foils of uranium, uranium oxide and then to coat them on substrates. These coatings would be made so thin as to allow the escaping fission fragments to directly heat a hydrogen propellant. The idea was studied of direct gas heating and direct gas pumping in a nuclear pumped laser program. Fission fragments were used to pump lasers. In this concept two substrates are placed opposite each other. The internal faces are coated with thin foil of uranium oxide. A few of the advantages of this technology are listed. In general, however, it is felt that if one look at all solid core nuclear thermal rockets or nuclear thermal propulsion methods, one is going to find that they all pretty much look the same. It is felt that this reactor has higher potential reliability. It has low structural operating temperatures, very short burn times, with graceful failure modes, and it has reduced potential for energetic accidents. Going to a design like this would take the NTP community part way to some of the very advanced engine designs, such as the gas core reactor, but with reduced risk because of the much lower temperatures

Estimation of Aboveground Biomass in Alpine Forests: A Semi-Empirical Approach Considering Canopy Transparency Derived from Airborne LiDAR Data

Directory of Open Access Journals (Sweden)

Martin Rutzinger

2010-12-01

Full Text Available In this study, a semi-empirical model that was originally developed for stem volume estimation is used for aboveground biomass (AGB estimation of a spruce dominated alpine forest. The reference AGB of the available sample plots is calculated from forest inventory data by means of biomass expansion factors. Furthermore, the semi-empirical model is extended by three different canopy transparency parameters derived from airborne LiDAR data. These parameters have not been considered for stem volume estimation until now and are introduced in order to investigate the behavior of the model concerning AGB estimation. The developed additional input parameters are based on the assumption that transparency of vegetation can be measured by determining the penetration of the laser beams through the canopy. These parameters are calculated for every single point within the 3D point cloud in order to consider the varying properties of the vegetation in an appropriate way. Exploratory Data Analysis (EDA is performed to evaluate the influence of the additional LiDAR derived canopy transparency parameters for AGB estimation. The study is carried out in a 560 km2 alpine area in Austria, where reference forest inventory data and LiDAR data are available. The investigations show that the introduction of the canopy transparency parameters does not change the results significantly according to R2 (R2 = 0.70 to R2 = 0.71 in comparison to the results derived from, the semi-empirical model, which was originally developed for stem volume estimation.

High multiplicity states in disordered carbon systems: Ab initio and semiempirical study

International Nuclear Information System (INIS)

Khavryuchenko, Volodymyr D.; Khavryuchenko, Oleksiy V.; Lisnyak, Vladyslav V.

2010-01-01

Stability of non-zero spin projection states for disordered carbon clusters of low symmetry were examined using semiempirical and ab initio methods. The study proves previous results of V.D. Khavryuchenko, Y.A. Tarasenko, V.V. Strelko, O.V. Khavryuchenko, V.V. Lisnyak, Int. J. Mod. Phys. B 21 (2007) 4507, obtained for the large polyaromatic hydrocarbons clusters and shows that the phenomenon is intrinsic for carbon-rich systems and independent of their symmetries. The electronic properties of the carbon clusters may alter from insulating to semiconducting upon change of C/H ratio and stabilization of non-zero spin projection states. A partial collectivization of the electrons is observed in deeply carbonized carbon clusters in higher S z states.

Calculation of dynamic and electronic properties of perfect and defect crystals by semiempirical quantum mechanical methods

International Nuclear Information System (INIS)

Zunger, A.

1975-07-01

Semiempirical all-valence-electron LCAO methods, that were previously used to study the electronic structure of molecules are applied to three problems in solid state physics: the electronic band structure of covalent crystals, point defect problems in solids and lattice dynamical study of molecular crystals. Calculation methods for the electronic band structure of regular solids are introduced and problems regarding the computation of the density matrix in solids are discussed. Three models for treating the electronic eigenvalue problem in the solid, within the proposed calculation schemes, are discussed and the proposed models and calculation schemes are applied to the calculation of the electronic structure of several solids belonging to different crystal types. The calculation models also describe electronic properties of deep defects in covalent insulating crystals. The possible usefulness of the semieipirical LCAO methods in determining the first order intermolecular interaction potential in solids and an improved model for treating the lattice dynamics and related thermodynamical properties of molecular solids are presented. The improved lattice dynamical is used to compute phonon dispersion curves, phonon density of states, stable unit cell structure, lattice heat capacity and thermal crystal parameters, in α and γ-N 2 crystals, using the N 2 -N 2 intermolecular interaction potential that has been computed from the semiempirical LCAO methods. (B.G.)

On the effect of grain burnback on STS-SRM fragment velocity

International Nuclear Information System (INIS)

Eck, M.B.; Mukunda, M.

1991-01-01

Concerns raised during the Ulysses Final Safety Analysis Review (FSAR) process called the solid rocket motor (SRM) fragment velocity prediction model into question. The specific area of concern was that there was a section of the SRM casing which was exposed to SRM chamber pressure as the grain (fuel) was consumed. These questions centered on the velocity of fragments which originated from the field joint region given that failure occurred between 37 and 72 seconds mission elapsed time (MET). Two dimensional coupled Eulerian-Lagrangian calculations were performed to assess the hot gas flow field which resulted from SRM casing fragmentation. The fragment to gas interface-pressure time-history obtained from these analyses was reduced to a boundary condition algorithm which was applied to an explicit-time-integration, finite element, three dimensional shell model of the SRM casing and unburned fuel. The results of these calculations showed that the velocity of fragments originating in the field joint was adequately described by the range of velocities given in the Shuttle Data Book (1988). Based on these results, no further analyses were required, and approval was obtained from the Launch Abort Subpanel of the Interagency Nuclear Safety Review Panel to use the SRM fragment velocity environments presented in the Ulysses FSAR (1990)

Heavy neutron-deficient radioactive beams: fission studies and fragment distributions

Energy Technology Data Exchange (ETDEWEB)

Schmidt, K.H.; Benlliure, J.; Heinz, A.; Voss, B. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Boeckstiegel, C.; Grewe, A.; Steinhaeuser, S.; Clerc, H.G.; Jong, M. de; Junghans, A.R.; Mueller, J. [Technische Hochschule Darmstadt (Germany). Inst. fuer Kernphysik; Pfuetzner, M. [Warsaw Univ. (Poland). Inst. of Experimental Physics

1998-02-01

The secondary-beam facility of GSI Darmstadt was used to study the fission process of short-lived radioactive nuclei. Relativistic secondary projectiles were produced by fragmentation of a 1 A GeV {sup 238}U primary beam and identified in nuclear charge and mass number. Their production cross sections were determined, and the fission competition in the statistical deexcitation was deduced for long isotopical chains. New results on the enhancement of the nuclear level density in spherical and deformed nuclei due to collective rotational and vibrational excitations were obtained. Using these reaction products as secondary beams, the dipole giant resonance was excited by electromagnetic interactions in a secondary lead target, and fission from excitation energies around 11 MeV was induced. The fission fragments were identified in nuclear charge, and their velocity vectors were determined. Elemental yields and total kinetic energies have been determined for a number of neutron-deficient actinides and preactinides which were not accessible with conventional techniques. The characteristics of multimodal fission of nuclei around {sup 226}Th were systematically investigated and related to the influence of shell effects on the potential energy and on the level density between fission barrier and scission. A systematic view on the large number of elemental yields measured gave rise to a new interpretation of the enhanced production of even elements in nuclear fission and allowed for a new understanding of pair breaking in large-scale collective motion. (orig.)

A semi-empirical model for the formation and depletion of the high burnup structure in UO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Pizzocri, D. [European Commission, Joint Research Centre, Directorate for Nuclear Safety and Security, PO Box 2340, 76125, Karlsruhe (Germany); Politecnico di Milano, Department of Energy, Nuclear Engineering Division, Via La Masa 34, 20156, Milan (Italy); Cappia, F. [European Commission, Joint Research Centre, Directorate for Nuclear Safety and Security, PO Box 2340, 76125, Karlsruhe (Germany); Technische Universität München, Boltzmannstraße 15, 85747, Garching bei München (Germany); Luzzi, L., E-mail: lelio.luzzi@polimi.it [Politecnico di Milano, Department of Energy, Nuclear Engineering Division, Via La Masa 34, 20156, Milan (Italy); Pastore, G. [Idaho National Laboratory, Fuel Modeling and Simulation Department, 2525 Fremont Avenue, 83415, Idaho Falls (United States); Rondinella, V.V.; Van Uffelen, P. [European Commission, Joint Research Centre, Directorate for Nuclear Safety and Security, PO Box 2340, 76125, Karlsruhe (Germany)

2017-04-15

In the rim zone of UO{sub 2} nuclear fuel pellets, the combination of high burnup and low temperature drives a microstructural change, leading to the formation of the high burnup structure (HBS). In this work, we propose a semi-empirical model to describe the formation of the HBS, which embraces the polygonisation/recrystallization process and the depletion of intra-granular fission gas, describing them as inherently related. For this purpose, we performed grain-size measurements on samples at radial positions in which the restructuring was incomplete. Based on these new experimental data, we infer an exponential reduction of the average grain size with local effective burnup, paired with a simultaneous depletion of intra-granular fission gas driven by diffusion. The comparison with currently used models indicates the applicability of the herein developed model within integral fuel performance codes. - Highlights: •Development of a new model for the formation and depletion of the high burnup structure. •New average grain-size measurements to support model development. •Formation threshold of the high burnup structure based on the concept of effective burnup. •Coupled description of grain recrystallization/polygonisation and depletion of intra-granular fission gas. •Model suitable for application in fuel performance codes.

Semi-empirical model for the calculation of flow friction factors in wire-wrapped rod bundles

International Nuclear Information System (INIS)

Carajilescov, P.; Fernandez y Fernandez, E.

1981-08-01

LMFBR fuel elements consist of wire-wrapped rod bundles, with triangular array, with the fluid flowing parallel to the rods. A semi-empirical model is developed in order to obtain the average bundle friction factor, as well as the friction factor for each subchannel. The model also calculates the flow distribution factors. The results are compared to experimental data for geometrical parameters in the range: P(div)D = 1.063 - 1.417, H(div)D = 4 - 50, and are considered satisfactory. (Author) [pt

Nuclear technology and mineral recovery

International Nuclear Information System (INIS)

Stewart, Richard M.; Niermeyer, Karl E.

1970-01-01

The particular aspect of nuclear technology most applicable to the mineral field, as has been pointed out by various authors, is nuclear blasting. The prime target for this nuclear blasting has usually been a large disseminated deposit of copper mineralization which, because of large dimensions, employs the nuclear devices most effectively. From the work of the AEC we know that the larger nuclear devices fragment rock for a lower energy cost per unit of ground broken than do smaller nuclear devices or chemical explosives. A mineralized deposit near the surface is usually not amenable to nuclear fragmentation, nor are the more deeply buried thin deposits. Also, one would not anticipate fragmenting a zone of excessively erratic mineralization with nuclear devices. Many of our mineralized areas would be eliminated using the above criteria, so at this point you are well aware that my self-imposed limitation is to nuclear blasting and large disseminated copper deposits. As with most other industries, copper mining faces rising costs and greater demands for its products. One of the rising cost features peculiar to extractive industries is the reliance placed on production from lower grade deposits as the higher grade deposits are depleted. As the grade or metal content of an orebody decreases more material must be handled to produce a given amount of metal. The increased volume of ore which must be handled as the grade declines requires expansion of facilities and higher capital expenditures. Expansion of facilities for mining, milling, and concentrating of the ore increases the per unit capital cost of the end product--copper. Increased copper consumption will aggravate this situation with demand for more metal, much of which will have to be obtained from lower grade deposits. As the higher grade deposits are depleted, future production will come from those deposits which cannot be exploited economically today. Most familiar of the proposed new methods for copper mining

Nuclear technology and mineral recovery

Energy Technology Data Exchange (ETDEWEB)

Stewart, Richard M; Niermeyer, Karl E [Anaconda Company, Salt Lake City, UT (United States)

1970-05-15

The particular aspect of nuclear technology most applicable to the mineral field, as has been pointed out by various authors, is nuclear blasting. The prime target for this nuclear blasting has usually been a large disseminated deposit of copper mineralization which, because of large dimensions, employs the nuclear devices most effectively. From the work of the AEC we know that the larger nuclear devices fragment rock for a lower energy cost per unit of ground broken than do smaller nuclear devices or chemical explosives. A mineralized deposit near the surface is usually not amenable to nuclear fragmentation, nor are the more deeply buried thin deposits. Also, one would not anticipate fragmenting a zone of excessively erratic mineralization with nuclear devices. Many of our mineralized areas would be eliminated using the above criteria, so at this point you are well aware that my self-imposed limitation is to nuclear blasting and large disseminated copper deposits. As with most other industries, copper mining faces rising costs and greater demands for its products. One of the rising cost features peculiar to extractive industries is the reliance placed on production from lower grade deposits as the higher grade deposits are depleted. As the grade or metal content of an orebody decreases more material must be handled to produce a given amount of metal. The increased volume of ore which must be handled as the grade declines requires expansion of facilities and higher capital expenditures. Expansion of facilities for mining, milling, and concentrating of the ore increases the per unit capital cost of the end product--copper. Increased copper consumption will aggravate this situation with demand for more metal, much of which will have to be obtained from lower grade deposits. As the higher grade deposits are depleted, future production will come from those deposits which cannot be exploited economically today. Most familiar of the proposed new methods for copper mining

Jet fragmentation

International Nuclear Information System (INIS)

Saxon, D.H.

1985-10-01

The paper reviews studies on jet fragmentation. The subject is discussed under the topic headings: fragmentation models, charged particle multiplicity, bose-einstein correlations, identified hadrons in jets, heavy quark fragmentation, baryon production, gluon and quark jets compared, the string effect, and two successful models. (U.K.)

Missing Fragments: Detecting Cooperative Binding in Fragment-Based Drug Design

Science.gov (United States)

2012-01-01

The aim of fragment-based drug design (FBDD) is to identify molecular fragments that bind to alternate subsites within a given binding pocket leading to cooperative binding when linked. In this study, the binding of fragments to human phenylethanolamine N-methyltransferase is used to illustrate how (a) current protocols may fail to detect fragments that bind cooperatively, (b) theoretical approaches can be used to validate potential hits, and (c) apparent false positives obtained when screening against cocktails of fragments may in fact indicate promising leads. PMID:24900472

Fission Fragment Yield Data in Support of Advanced Reactor Technology

Energy Technology Data Exchange (ETDEWEB)

Hecht, Adam [Univ. of New Mexico, Albuquerque, NM (United States)

2017-11-21

Within the 3 year POP we propose to continue to test and further develop the fission spectrometers, to do development tests and full data acquisition run at the national laboratory neutron beam facilities, to measure correlated fission fragment yields at low neutron energies with 235 U fission targets, and make these data available to the nuclear community. The spectrometer development will be both on the university based r\\prototype and on the National Laboratory Spectrometer, and measurements will be performed with both. Over the longer time frame of the collaboration, we will take data over a range of low energies, and use other fission targets available to the laboratory. We will gather energy specific fragment distributions and reaction cross sections. We will further develop the data acquisition capabilities to take correlated fission fragment'gamma ray/neurton data, all on an event-by-event basis. This really is an enabling technology.

A Saccharomyces cerevisiae mitochondrial DNA fragment activates Reg1p-dependent glucose-repressible transcription in the nucleus.

Science.gov (United States)

Santangelo, G M; Tornow, J

1997-12-01

As part of an effort to identify random carbon-source-regulated promoters in the Saccharomyces cerevisiae genome, we discovered that a mitochondrial DNA fragment is capable of directing glucose-repressible expression of a reporter gene. This fragment (CR24) originated from the mitochondrial genome adjacent to a transcription initiation site. Mutational analyses identified a GC cluster within the fragment that is required for transcriptional induction. Repression of nuclear CR24-driven transcription required Reg1p, indicating that this mitochondrially derived promoter is a member of a large group of glucose-repressible nuclear promoters that are similarly regulated by Reg1p. In vivo and in vitro binding assays indicated the presence of factors, located within the nucleus and the mitochondria, that bind to the GC cluster. One or more of these factors may provide a regulatory link between the nucleus and mitochondria.

The role of the spectator assumption in models for projectile fragmentation

International Nuclear Information System (INIS)

Mc Voy, K.W.

1984-01-01

This review is restricted to direct-reaction models for the production of projectile fragments in nuclear collisions, at beam energies of 10 or more MeV/nucleon. Projectile fragments are normally identified as those which have near-beam velocities, and there seem to be two principal mechanisms for the production of these fast particles: 1. Direct breakup, 2. Sequential breakup. Of the two, the authors exclude from their discussion the ''sequential breakup'' process, in which the projectile is excited by the initial collision (either via inelastic scattering or transfer to unbound states) and then subsequently decays, outside the range of interaction

Probing the nuclear liquid-gas phase transition

International Nuclear Information System (INIS)

Pochodzalla, J.; Moehlenkamp, T.; Rubehn, T.; Schuettauf, A.; Zude, E.; Begemann-Blaich, M.; Blaich, T.; Emling, H.; Ferrero, A.; Kunze, W.D.; Lindenstruth, V.; Lynen, U.; Moroni, W.; Ocker, B.; Schwarz, C.; Seidel, W.; Serfling, V.; Trzcinski, A.; Tucholski, A.; Verde, G.

1995-02-01

Fragment distributions resulting from Au+Au collisions at an incident energy of E/A=600 MeV are studied. From the measured fragment and neutron distributions the mass and the excitation energy of the decaying pre-fragments were determined. A temperature scale was derived from observed yield ratios of He and Li isotopes. The relation between this isotope temperature and the excitation energy of the system exhibits a behavior which is expected for a phase transition. The nuclear vapor regime takes over at an excitation energy of 10 MeV per nucleon, a temperature of 5 MeV and may be characterized by a density of 0.15-0.3 normal nuclear density. (orig.)

Calculated nuclide production yields in relativistic collisions of fissile nuclei

Energy Technology Data Exchange (ETDEWEB)

Benlliure, J.; Schmidt, K.H. [Gesellschaft fuer Schwerionenforschung mbH, Darmstadt (Germany); Grewe, A.; Jong, M. de [Technische Univ. Darmstadt (Germany). Inst. fuer Kernphysik; Zhdanov, S. [AN Kazakhskoj SSR, Alma-Ata (USSR). Inst. Yadernoj Fiziki

1997-11-01

A model calculation is presented which predicts the complex nuclide distribution resulting from peripheral relativistic heavy-ion collisions involving fissile nuclei. The model is based on a modern version of the abrasion-ablation model which describes the formation of excited prefragments due to the nuclear collisions and their consecutive decay. The competition between the evaporation of different light particles and fission is computed with an evaporation code which takes dissipative effects and the emission of intermediate-mass fragments into account. The nuclide distribution resulting from fission processes is treated by a semiempirical description which includes the excitation-energy dependent influence of nuclear shell effects and pairing correlations. The calculations of collisions between {sup 238}U and different reaction partners reveal that a huge number of isotopes of all elements up to uranium is produced. The complex nuclide distribution shows the characteristics of fragmentation, mass-asymmetric low-energy fission and mass-symmetric high-energy fission. The yields of the different components for different reaction partners are studied. Consequences for technical applications are discussed. (orig.)

Program for the calculation of the semiempirical radial wave functions by means of the variable Tomas-Fermi potential and for the determination of the radial integrals of the dipole transitions

International Nuclear Information System (INIS)

Kuzmitskite, L.L.

1980-01-01

The program is meant for the determination of the semiempirical radial wave functions of the positive ions and the calculation of the radial integrals of the dipole transition. The semiempirical wave functions are calculated using Tomas-Fermi potential with the variable parameter, which provides for the coincidence of the energy obtained with the ionization energy of the state under consideration. The program is written in the FORTRAN language for the BESM-6 computer

Semi-empirical and empirical L X-ray production cross sections for elements with 50 ≤ Z ≤ 92 for protons of 0.5-3.0 MeV

International Nuclear Information System (INIS)

Nekab, M.; Kahoul, A.

2006-01-01

We present in this contribution, semi-empirical production cross sections of the main X-ray lines Lα, Lβ and Lγ for elements from Sn to U and for protons with energies varying from 0.5 to 3.0 MeV. The theoretical X-ray production cross sections are firstly calculated from the theoretical ionization cross sections of the Li (i = 1, 2, 3) subshell within the ECPSSR theory. The semi-empirical Lα, Lβ and Lγ cross sections are then deduced by fitting the available experimental data normalized to their corresponding theoretical values and give the better representation of the experimental data in some cases. On the other hand, the experimental data are directly fitted to deduce the empirical L X-ray production cross sections. A comparison is made between the semi-empirical cross sections, the empirical cross sections reported in this work and the empirical ones reported by Reis and Jesus [M.A. Reis, A.P. Jesus, Atom. Data Nucl. Data Tables 63 (1996) 1] and those of Strivay and Weber [Strivay, G. Weber, Nucl. Instr. and Meth. B 190 (2002) 112

Multiparticle production in particle and nuclear collisions, 2

International Nuclear Information System (INIS)

Kanki, Takeshi; Kinoshita, Kisei; Sumiyoshi, Hiroyuki; Takagi, Fujio.

1990-01-01

Multiparticle dynamics is related to many branches of particle and nuclear physics. This book provides a comprehensive review which covers the whole domain of multiparticle dynamics. The review consists of five chapters. Chapter D, which is the first chapter of this volume, is titled 'Mechanism of Fragmentation' and contains six sections dealing with 'parton densities inside hadrons', 'hadron fragmentation and quark picture', 'recombination type models', 'quark fragmentation models in soft interaction', 'diquark and its fragmentation' and 'fragmentation in string models'. Chapter E 'Diffractive Production of Hadrons' discusses 'diffractive inelastic processes of composite particles', 'diffractive processes and triple-pomeron coupling', 'properties of diffractive inelastic final states', and 'nature of pomeron'. Chapter F 'Unified Descriptions' focuses on 'general chain picture', 'dual parton model', 'Monte Carlo simulations' and 'unification of hard and soft interactions'. Chapter G, titled 'Multiparticle Production in Hadron-Nucleus Collisions and Other Nuclear Processes' and contains 11 sections. Chapter H presents conclusions. (N.K.)

Estimation of cross sections of hypotetical 8n0, 10He2, 13Li3 nuclei production in the framework of fast fragmentation model

International Nuclear Information System (INIS)

Lozhkin, O.V.; Oplavin, V.S.; Yakovlev, Yu.P.

1983-01-01

The possibilities of search for 8 n 0 , 10 He 2 , 13 Li 3 nuclides in the products of nuclear fragmentation under the action of high energy particles are analysed. Conclusions have been drawn that: available experimental data on determination of the upper boundary of a cross section of 8 n 0 fragments production exclude an existence of this nuclide in the form ''usual'' nuclear system; available experimental estimations of cross sections of 10 He and 13 Li production among fragmentation products are, for the present, insufficient to solve a problem of 13 Li nucleus existence in a bound state but testify on 10 He nucleus nuclear instability; serious model estimations of have functions and nuclide binding energy are necessary

Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program.

Directory of Open Access Journals (Sweden)

Casper Steinmann

Full Text Available An interface between semi-empirical methods and the polarized continuum model (PCM of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41. The interface includes energy gradients and is parallelized. For large molecules such as ubiquitin a reasonable speedup (up to a factor of six is observed for up to 16 cores. The SCF convergence is greatly improved by PCM for proteins compared to the gas phase.

Semiempirical and DFT computations of the influence of Tb(III) dopant on unit cell dimensions of cerium(III) fluoride.

Science.gov (United States)

Shyichuk, Andrii; Runowski, Marcin; Lis, Stefan; Kaczkowski, Jakub; Jezierski, Andrzej

2015-01-30

Several computational methods, both semiempirical and ab initio, were used to study the influence of the amount of dopant on crystal cell dimensions of CeF3 doped with Tb(3+) ions (CeF3 :Tb(3+) ). AM1, RM1, PM3, PM6, and PM7 semiempirical parameterization models were used, while the Sparkle model was used to represent the lanthanide cations in all cases. Ab initio calculations were performed by means of GGA+U/PBE projector augmented wave density functional theory. The computational results agree well with the experimental data. According to both computation and experiment, the crystal cell parameters undergo a linear decrease with increasing amount of the dopant. The computations performed using Sparkle/PM3 and DFT methods resulted in the best agreement with the experiment with the average deviation of about 1% in both cases. Typical Sparkle/PM3 computation on a 2×2×2 supercell of CeF3:Tb3+ lasted about two orders of magnitude shorter than the DFT computation concerning a unit cell of this material. © 2014 Wiley Periodicals, Inc.

Research on critical behaviour during fragmentation of the projectile in the Xe+Sn (at 50 MeV/A) reaction; Recherche d`un comportement critique dans la fragmentation du projectile dans la reaction Xe+Sn a 50 MeV/A

Energy Technology Data Exchange (ETDEWEB)

Benlliure, J

1995-03-01

The study of moments of fragments charge distributions produced in heavy ions collisions can give us evidence of a critical behavior of nuclear matter which could explain the multifragmentation pattern. From an experimental point of view, in order to perform this capabilities of the INDRA detector has made it possible to identify all these particles and to reconstruct the initial projectile-like fragment coming from binary collisions in the reaction Xe+Sn at 50 MeV/A. We have selected events where the initial projectile-like fragments keep their entire charge in a large range of excitation energy. The study of these fragment`s characteristics show clearly a change in the deexcitation pattern. The evolution of moments of the fragment charge distributions has been reproduced within a percolation model, in this sense we can interpreter this change in the deexcitation pattern as a function of the initial projectile-like fragment`s size shows the existence of finite-size effects. However, the signature of a phase transition remains independent on the projectile-like fragment`s size. (author). 74 refs., 58 figs., 9 tabs.

A semi-empirical molecular orbital model of silica, application to radiation compaction

International Nuclear Information System (INIS)

Tasker, P.W.

1978-11-01

Semi-empirical molecular-orbital theory is used to calculate the bonding in a cluster of two SiO 4 tetrahedra, with the outer bonds saturated with pseudo-hydrogen atoms. The basic properties of the cluster, bond energies and band gap are calculated using a very simple parameterisation scheme. The resulting cluster is used to study the rebonding that occurs when an oxygen vacancy is created. It is suggested that a vacancy model is capable of producing the observed differences between quartz and vitreous silica, and the calculations show that the compaction effect observed in the glass is of a magnitude compatible with the relaxations around the vacancy. More detailed lattice models will be needed to examine this mechanism further. (author)

A midrapidity source of intermediate mass fragments in highly central collisions of Au+Au at 150 A MeV

Energy Technology Data Exchange (ETDEWEB)

Alard, J P; Bastid, N; Crouau, M; Dupieux, P; Fraysse, L; Jorio, M; Montarou, G; Morel, P [Laboratoire de Physique Corpusculaire, 63 - Clermont-Ferrand (France); Basrak, Z; Caplar, R; Cindro, N; Hoelbling, S [Rudjer Boskovic Inst., Zagreb (Yugoslavia); Belayev, I M; Frolov, S; Korchagin, Y; Lebedev, A; Smolyankin, S; Zhilin, A V [Institute for Experimental and Theoretical Physics, Moscow (Russia); Bini, M; Olmi, A; Pasquali, G; Poggi, G; Taccetti, N [Florence Univ. (Italy); [INFN, Florence (Italy); Blaich, T [Mainz Univ. (Germany); Buta, A; Legrand, I; Moisa, D; Petrovici, M; Simion, V [Institute for Physics and Nuclear Engineering, Bucharest (Romania); Cerruti, C; Coffin, J P; Fintz, P; Guillaume, G; Houari, O; Jundt, F; Kuhn, C; Maguire, C; Rami, F; Tezkratt, R; Wagner, P [Centre de Recherches Nucleaires, 67 - Strasbourg (France); [Strasbourg Univ., 67 (France); Eroe, J; Fodor, Z; Kecskemeti, J; Koncz, P; Seres, Z [Central Research Inst. for Physics, Budapest (Hungary); Grigoriyan, Y; Manko, V; Mgebrishvili, G; Sadchikov, A; Vasiliev, M A [Kurchatov Inst. for Atomic Energy, Moscow (Russia); Herrmann, N; Pelte, D; Trzaska, M; Wienold, T [Heidelberg Univ. (Germany). Physikalisches Inst.; Kotte, R; Moesner, J; Neubert, W; Wohlfarth, D [Forschungszentrum Rossendorf (Germany); Matulewicz, T; Sikora, B; Wilhelmi, Z [Warsaw Univ. (Poland). Inst. of Experimental Physics; Bock, R; Fan, Z G; Freifelder, R; Gobbi, A; Hildenbrand, K D; Jeong, S C; Kraemer, M; Reisdorf, W; Schuell, D; Sodan, U; Teh, K; Wessels, J P; FOPI Collaboration at GSI

1992-02-01

Charged particles have been observed in collisions of Au on Au at incident energy of 150 A MeV using a high-granularity detector system covering approximatley the forward hemisphere in the center-of-mass system. Highly central collisions have been studied using a double selection criterion which combines large charged particle multiplicities with small transverse momentum directivities. In this class of events about one quarter of the total nuclear charge emerges as intermediate mass fragments with nuclear charges Z>2. These fragments are centred at midrapidity and are produced with large transverse velocities. (orig.).

A midrapidity source of intermediate mass fragments in highly central collisions of Au+Au at 150 A MeV

International Nuclear Information System (INIS)

Alard, J.P.; Bastid, N.; Crouau, M.; Dupieux, P.; Fraysse, L.; Jorio, M.; Montarou, G.; Morel, P.; Basrak, Z.; Caplar, R.; Cindro, N.; Hoelbling, S.; Belayev, I.M.; Frolov, S.; Korchagin, Y.; Lebedev, A.; Smolyankin, S.; Zhilin, A.V.; Bini, M.; Olmi, A.; Pasquali, G.; Poggi, G.; Taccetti, N.; Blaich, T.; Buta, A.; Legrand, I.; Moisa, D.; Petrovici, M.; Simion, V.; Cerruti, C.; Coffin, J.P.; Fintz, P.; Guillaume, G.; Houari, O.; Jundt, F.; Kuhn, C.; Maguire, C.; Rami, F.; Tezkratt, R.; Wagner, P.; Eroe, J.; Fodor, Z.; Kecskemeti, J.; Koncz, P.; Seres, Z.; Grigoriyan, Y.; Manko, V.; Mgebrishvili, G.; Sadchikov, A.; Vasiliev, M.A.; Herrmann, N.; Pelte, D.; Trzaska, M.; Wienold, T.; Matulewicz, T.; Sikora, B.; Wilhelmi, Z.; Bock, R.; Fan, Z.G.; Freifelder, R.; Gobbi, A.; Hildenbrand, K.D.; Jeong, S.C.; Kraemer, M.; Reisdorf, W.; Schuell, D.; Sodan, U.; Teh, K.; Wessels, J.P.

1992-02-01

Charged particles have been observed in collisions of Au on Au at incident energy of 150 A MeV using a high-granularity detector system covering approximatley the forward hemisphere in the center-of-mass system. Highly central collisions have been studied using a double selection criterion which combines large charged particle multiplicities with small transverse momentum directivities. In this class of events about one quarter of the total nuclear charge emerges as intermediate mass fragments with nuclear charges Z>2. These fragments are centred at midrapidity and are produced with large transverse velocities. (orig.)

Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.

Science.gov (United States)

Huschmann, Franziska U; Linnik, Janina; Sparta, Karine; Ühlein, Monika; Wang, Xiaojie; Metz, Alexander; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S; Mueller, Uwe

2016-05-01

Crystallographic screening of the binding of small organic compounds (termed fragments) to proteins is increasingly important for medicinal chemistry-oriented drug discovery. To enable such experiments in a widespread manner, an affordable 96-compound library has been assembled for fragment screening in both academia and industry. The library is selected from already existing protein-ligand structures and is characterized by a broad ligand diversity, including buffer ingredients, carbohydrates, nucleotides, amino acids, peptide-like fragments and various drug-like organic compounds. When applied to the model protease endothiapepsin in a crystallographic screening experiment, a hit rate of nearly 10% was obtained. In comparison to other fragment libraries and considering that no pre-screening was performed, this hit rate is remarkably high. This demonstrates the general suitability of the selected compounds for an initial fragment-screening campaign. The library composition, experimental considerations and time requirements for a complete crystallographic fragment-screening campaign are discussed as well as the nine fully refined obtained endothiapepsin-fragment structures. While most of the fragments bind close to the catalytic centre of endothiapepsin in poses that have been observed previously, two fragments address new sites on the protein surface. ITC measurements show that the fragments bind to endothiapepsin with millimolar affinity.

Structures of endothiapepsin–fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library

Science.gov (United States)

Huschmann, Franziska U.; Linnik, Janina; Sparta, Karine; Ühlein, Monika; Wang, Xiaojie; Metz, Alexander; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe

2016-01-01

Crystallographic screening of the binding of small organic compounds (termed fragments) to proteins is increasingly important for medicinal chemistry-oriented drug discovery. To enable such experiments in a widespread manner, an affordable 96-compound library has been assembled for fragment screening in both academia and industry. The library is selected from already existing protein–ligand structures and is characterized by a broad ligand diversity, including buffer ingredients, carbohydrates, nucleotides, amino acids, peptide-like fragments and various drug-like organic compounds. When applied to the model protease endothiapepsin in a crystallographic screening experiment, a hit rate of nearly 10% was obtained. In comparison to other fragment libraries and considering that no pre-screening was performed, this hit rate is remarkably high. This demonstrates the general suitability of the selected compounds for an initial fragment-screening campaign. The library composition, experimental considerations and time requirements for a complete crystallographic fragment-screening campaign are discussed as well as the nine fully refined obtained endothiapepsin–fragment structures. While most of the fragments bind close to the catalytic centre of endothiapepsin in poses that have been observed previously, two fragments address new sites on the protein surface. ITC measurements show that the fragments bind to endothiapepsin with millimolar affinity. PMID:27139825

A semi-empirical approach to calculate gamma activities in environmental samples

International Nuclear Information System (INIS)

Palacios, D.; Barros, H.; Alfonso, J.; Perez, K.; Trujillo, M.; Losada, M.

2006-01-01

We propose a semi-empirical method to calculate radionuclide concentrations in environmental samples without the use of reference material and avoiding the typical complexity of Monte-Carlo codes. The calculation of total efficiencies was carried out from a relative efficiency curve (obtained from the gamma spectra data), and the geometric (simulated by Monte-Carlo), absorption, sample and intrinsic efficiencies at energies between 130 and 3000 keV. The absorption and sample efficiencies were determined from the mass absorption coefficients, obtained by the web program XCOM. Deviations between computed results and measured efficiencies for the RGTh-1 reference material are mostly within 10%. Radionuclide activities in marine sediment samples calculated by the proposed method and by the experimental relative method were in satisfactory agreement. The developed method can be used for routine environmental monitoring when efficiency uncertainties of 10% can be sufficient.(Author)

Electron momentum density and Compton profile by a semi-empirical approach

Science.gov (United States)

Aguiar, Julio C.; Mitnik, Darío; Di Rocco, Héctor O.

2015-08-01

Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.

Fragment-based drug discovery and its application to challenging drug targets.

Science.gov (United States)

Price, Amanda J; Howard, Steven; Cons, Benjamin D

2017-11-08

Fragment-based drug discovery (FBDD) is a technique for identifying low molecular weight chemical starting points for drug discovery. Since its inception 20 years ago, FBDD has grown in popularity to the point where it is now an established technique in industry and academia. The approach involves the biophysical screening of proteins against collections of low molecular weight compounds (fragments). Although fragments bind to proteins with relatively low affinity, they form efficient, high quality binding interactions with the protein architecture as they have to overcome a significant entropy barrier to bind. Of the biophysical methods available for fragment screening, X-ray protein crystallography is one of the most sensitive and least prone to false positives. It also provides detailed structural information of the protein-fragment complex at the atomic level. Fragment-based screening using X-ray crystallography is therefore an efficient method for identifying binding hotspots on proteins, which can then be exploited by chemists and biologists for the discovery of new drugs. The use of FBDD is illustrated here with a recently published case study of a drug discovery programme targeting the challenging protein-protein interaction Kelch-like ECH-associated protein 1:nuclear factor erythroid 2-related factor 2. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

Kinematical properties of spectator fragments in heavy-ion collisions at relativistic energies

International Nuclear Information System (INIS)

Bacquias, A.

2008-07-01

Contrary to central collisions experiments, some experiments are designed for the investigation of nuclear-matter properties thanks to spectator matter. These experiments concentrate their selection on events of peripheral and mid-peripheral collisions. Spectator matter is not subject to compression but is highly excited. The observables related to spectator fragments can then be used as probes on nuclear matter at low density in the case of mid-peripheral collisions. Recently, experiments with the Fragment Separator (FRS) at GSI have proven to be suited for yielding valuable complementary information to spectator matter studies. We will first give an overview of the types of reaction relevant for this study and the different features that condition the reaction mechanisms leading to fragmentation. In the second chapter, we will describe the experimental set-up used at the FRS and explain the role of each detector and the method to exploit these data at best. In the third chapter we will concentrate our efforts on kinematics data from a 136 Xe + Pb experiment at the energy of 1 GeV per nucleon. Experimental results come in the fourth chapter and they are interpreted and discussed in chapters 5, 6 and 7. We will first comment the shapes of the velocity spectra and discuss the link between observation and physical processes. The surprising fact that one has means to assess the centrality despite the low acceptance of the experimental set-up will be underlined. This new way of presenting the data will permit a new approach to the nucleon-nucleon cross-section, by making comparison with theoretical models possible. Eventually, we will concentrate on the width of the velocity spectra. After going through previous models and predictions we will present a new description of the reaction mechanisms and their influence on the kinematics of observed fragments, reliable for a very broad range of fragments. (A.C.)

Determination of aromatic fragment content in phenol-containing fractions of solid fuel conversion products using nuclear magnetic resonance spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Kanitskaya, L.V.; Kushnarev, D.F.; Polonov, V.M.; Kalabin, G.A.

1986-03-01

Optimum conditions are determined for obtaining quantitative nuclear magnetic resonance /sup 13/C spectra of fragments in phenol-containing fraction of coal products. Causes are analyzed of residual signals in spectra of un-protonized carbon atoms. The tests were carried out on: low-temperature carbonization tar and phenol fraction obtained during medium-temperature coking of Cherenkhovskii coal (which contains 84.13% C; 9.68% H; 1.23% S; 4.96% O); products of tar hydrogenation with various phenol content; standard phenol mixture. It was found that quantitative determination of aromatic fraction content in coal conversion products and other phenol- and amine-containing complex mixtures, using NMR spectroscopy requires the addition of dimethylsulfide or acetone in order to suppress specific interactions of phenols (amines) with relaxants and obtain quantitative subspectra of Tertiary and Quaternary aromatic carbon atoms. 16 references.

A reconsideration of fission fragment angular distributions from nuclei of high spin

International Nuclear Information System (INIS)

Vaz, L.C.; Alexander, J.M.

1983-01-01

It has often been stated that fission fragment angular anisotropy, as predicted by equilibrium statistical theory, should disappear with increasing spin of the composite nucleus. However, several recent experimental studies reveal strong anisotropies for fission fragments from high-spin nuclear systems. We discuss this apparent discrepancy and its relationship to the rigid-rotor approximation used in the standard theory. A systematic comparison is given for fission fragment anisotropies from many experiments via the empirical parameters K 0 2 and Ssub(eff). These systematics indicate a strong regularity, provided one allows for the perturbing effects of fission after transfer reactions. Many of the observed anisotropies exceed the predictions of the standard theory, but, as these predictions are based on a rigid rotor model, this does not seem particularly noteworthy. (orig.)

Hirschegg '03: Nuclear structure and dynamics at the limits. Proceedings

International Nuclear Information System (INIS)

Feldmeier, H.; Knoll, J.; Noerenberg, W.; Wambach, J.

2003-01-01

The following topics were dealt with: Nuclear structure ans symmetries, nuclei near the drip line, halo nuclei and nuclear resonances, superheavy elements and fission, fragmentation and multifragmentation, nuclear astrophysics. (HSI)

Towards a population synthesis model of self-gravitating disc fragmentation and tidal downsizing II: the effect of fragment-fragment interactions

Science.gov (United States)

Forgan, D. H.; Hall, C.; Meru, F.; Rice, W. K. M.

2018-03-01

It is likely that most protostellar systems undergo a brief phase where the protostellar disc is self-gravitating. If these discs are prone to fragmentation, then they are able to rapidly form objects that are initially of several Jupiter masses and larger. The fate of these disc fragments (and the fate of planetary bodies formed afterwards via core accretion) depends sensitively not only on the fragment's interaction with the disc, but also with its neighbouring fragments. We return to and revise our population synthesis model of self-gravitating disc fragmentation and tidal downsizing. Amongst other improvements, the model now directly incorporates fragment-fragment interactions while the disc is still present. We find that fragment-fragment scattering dominates the orbital evolution, even when we enforce rapid migration and inefficient gap formation. Compared to our previous model, we see a small increase in the number of terrestrial-type objects being formed, although their survival under tidal evolution is at best unclear. We also see evidence for disrupted fragments with evolved grain populations - this is circumstantial evidence for the formation of planetesimal belts, a phenomenon not seen in runs where fragment-fragment interactions are ignored. In spite of intense dynamical evolution, our population is dominated by massive giant planets and brown dwarfs at large semimajor axis, which direct imaging surveys should, but only rarely, detect. Finally, disc fragmentation is shown to be an efficient manufacturer of free-floating planetary mass objects, and the typical multiplicity of systems formed via gravitational instability will be low.

Far from the intermediate nuclear field

International Nuclear Information System (INIS)

Dietrich, K.; Wagner, G.J.; Gregoire, C.; Campi, X.; Silvestre-Brac, B.; Platchkov, S.; Mayer, B.; Abgrall, Y.; Bohigas, O.; Grange, P.; Signarbieux, C.

1988-01-01

Pairing correlations in nuclear physics; the BCS state and quasi-particles; the layer model; collision effects on nuclear dynamics; the theory of cluster formation (application to nucleus fragmentation); short range correlations (few-particle systems); deuterium electron scattering; dibaryonic resonances; traditional and exotic hadron probes of nuclear structure; spectral fluctuations and chaotic motion; corrections to the intermediate nuclear field (nonrelativistic and other effects); and heavy nuclei splitting and nuclear superfluidity are introduced [fr

Intermediate/high energy nuclear physics

International Nuclear Information System (INIS)

Vary, J.P.

1992-01-01

Progress during the last year is reviewed under the following topics: relativistic hadron--nucleus and nucleus--nucleus collisions (heavy meson production, photon production and fragmentation functions--direct photon production with the QCM and photon fragmentation functions, Cronin efffect and multiple scattering, effective nuclear parton distributions); solving quantum field theories in nonperturbative regime; light-front dynamics and high-spin states (soft form factor of the pion and nucleon for transverse and longitudinal momentum transfers, light front spinors for high-spin objects); high-energy spin physics; relativistic wave equations, quarkonia, and e + e - resonances; associated production of Higgs boson at collider energies, and microscopic nuclear many-body theory and reactions. 135 refs

The Fragmentation of Heavy Nuclei by 13.8 GeV/c Protons as a Contribution to the Study of the Interaction Mechanism and Nuclear Structure

International Nuclear Information System (INIS)

Gil Perez, D.

1967-01-01

We present he re an global study of the interaction between high- energy particles and heavy nuclei, an interaction which holds obvious interest in relation to the problems of nuclear fragmentation and which, up lo now has only been studied piecemeal. We have used three stacks of photographic emulsions which were irradiated by 13.8 GeV/c protons, 17 GeV/c negative pions and 24 GeV/c protons. All three irradiations took place in a 180 K.G. magnetic field using CERN beams. (Author) 20 refs

The Munich accelerator for fission fragments MAFF

International Nuclear Information System (INIS)

Habs, D.; Gross, M.; Assmann, W.; Ames, F.; Bongers, H.; Emhofer, S.; Heinz, S.; Henry, S.; Kester, O.; Neumayr, J.; Ospald, F.; Reiter, P.; Sieber, T.; Szerypo, J.; Thirolf, P.G.; Varentsov, V.; Wilfart, T.; Faestermann, T.; Kruecken, R.; Maier-Komor, P.

2003-01-01

The Munich Accelerator for Fission Fragments MAFF has been designed for the new Munich research reactor FRM-II. It will deliver several intense beams (∼3x10 11 s -1 ) of very neutron-rich fission fragments with a final energy of 30 keV (low-energy beam) or energies between 3.7 and 5.9 MeV·A (high-energy beam). Such beams are of interest for the creation of super-heavy elements by fusion reactions, nuclear spectroscopy of exotic nuclei, but they also have a potential for applications, e.g. in medicine. Presently the Munich research reactor FRM-II is ready for operation, but authorities delay the final permission to turn the reactor critical probably till the end of 2002. Only after this final permission the financing of the major parts of MAFF can start. On the other hand all major components have been designed and special components have been tested in separate setups

Inclusive projectile fragmentation in the spectator model

International Nuclear Information System (INIS)

Hussein, M.S.; McVoy, K.W.

1985-01-01

Crazing-angle single spectra for projectile fragments from nuclear collisions exhibit a broad peak centered near the beam velocity, suggesting that these observed fragments play only a 'spectator' role in the reaction. Using only this spectator assumption (but not DWBA), it is found that a 'prior form' formulation of the reaction leads, via closure, to a -type estimate of the inclusive spectator spectrum, thus relating it to the reaction cross section for the 'participant' with the target. It is shown explicitly that this expression includes an improved multi-channel version of the Udagawa-Tamura formula for the 'breakup-fusion' or incomplete fusion cross section, and identifies it as the fluctuation part of the participant-target reaction cross section. A Glauber-type estimate of the distorted wave functions which enter clearly shows how the width of the peak in the spectator spectrum arises from the 'Fermi motion' within the projectile, as in the simple Serber model, but is modified by the 'overlap geometry' of the collision. (Author) [pt

Fragmentation of Pb-Projectiles at SPS Energies

CERN Multimedia

2002-01-01

% EMU17 \\\\ \\\\ We have exposed stacks consisting of solid state nuclear track detectors (CR-39 plastic and BP-1 glass) and different target materials at the SPS to beams of Pb projectiles. Our detectors record tracks of relativistic nuclei with charge numbers of Z~$\\geq$~6 for CR-39 and Z~$\\geq$75 for BP-1. After development of the tracks by etching they are detected and measured using completely automated microscope systems. Thus experiments with high statistics are possible. \\\\ \\\\BP-1 detectors were exposed to measure total charge changing cross sections and elemental production cross sections for heavy projectile fragments. These experiments were performed for different targets CH$ _{2} $, C, Al, Cu, Ag and Pb. Comparison of the results for different targets allows to investigate contributions to charge changing reactions by electromagnetic dissociation. Multifragmentation events in which several intermediate mass fragments are emitted from the heavy Pb projectile are studied using stacks containing CR-39 d...

Momentum and correlation characteristics of products of fragmentation of relativistic carbon nuclei at 4.5 GeV/c per nucleon

International Nuclear Information System (INIS)

Bondarenko, R.A.; Gulamov, K.G.; Gulyamov, U.G.; Chernov, G.M.

1983-01-01

We present the basic characteristics (multiplicities, distributions in transverse momenta, and correlations in the transverse plane) of fragments of the incident nucleus in inelastic interactions of relativistic 12 C nuclei in nuclear emulsion. We observe effects of the transverse motion of the fragmenting nucleus and its angular momentum. A qualitative and critical analysis of a number of commonly used theoretical approaches to the fragmentation of relativistic nuclei is given

Formation of fission-fragment mass distribution for nuclei lighter than thorium

International Nuclear Information System (INIS)

Itkis, M.G.; Mul'gin, S.I.; Rusanov, A.Y.; Okolovich, A.N.; Smirenkin, G.N.

1986-01-01

A phenomenological approach to description of fission-fragment mass distribution Y(M) for nuclei in the vicinity of Pb is developed and used to extract from the experimental Y(M) data the nuclear deformation potential energy V(M) and its components: the macroscopic (liquid-drop) part and the shell correction in the transition state. The results of the analysis are compared with the theoretically obtained V(M) and Y(M). The three-hump fragment-mass distributions observed in Ra fission are satisfactorily described within the framework of the approach developed. The properties of the symmetric and asymmetric fission valleys and the related Y(M) components are discussed

Universal elements of fragmentation

International Nuclear Information System (INIS)

Yanovsky, V. V.; Tur, A. V.; Kuklina, O. V.

2010-01-01

A fragmentation theory is proposed that explains the universal asymptotic behavior of the fragment-size distribution in the large-size range, based on simple physical principles. The basic principles of the theory are the total mass conservation in a fragmentation process and a balance condition for the energy expended in increasing the surface of fragments during their breakup. A flux-based approach is used that makes it possible to supplement the basic principles and develop a minimal theory of fragmentation. Such a supplementary principle is that of decreasing fragment-volume flux with increasing energy expended in fragmentation. It is shown that the behavior of the decreasing flux is directly related to the form of a power-law fragment-size distribution. The minimal theory is used to find universal asymptotic fragment-size distributions and to develop a natural physical classification of fragmentation models. A more general, nonlinear theory of strong fragmentation is also developed. It is demonstrated that solutions to a nonlinear kinetic equation consistent with both basic principles approach a universal asymptotic size distribution. Agreement between the predicted asymptotic fragment-size distributions and experimental observations is discussed.

Investigations of nuclear structure and nuclear reactions induced by complex projectiles

International Nuclear Information System (INIS)

Sarantites, D.G.

1991-01-01

The research program of our group touches five areas of nuclear physics: (1) Nuclear structure studies at high spin; (2) Studies at the interface between structure and reactions; (3) Production and study of hot nuclei; (4) Incomplete fusion and fragmentation reactions; and (5) Development and use of novel techniques and instrumentation in the above areas of research. The papers from these areas are discussed in this report

Observed mass distribution of spontaneous fission fragments from samples of lime - an SSNTD study

CERN Document Server

Paul, D; Ghose, D; Sastri, R C

1999-01-01

SSNTD is one of the most commonly used detectors in the studies involving nuclear phenomena. The ease of registration of the presence of alpha particles and fission fragments has made it particularly suitable in studies where stable long exposures are needed to extract reliable information. Studies on the presence of alpha emitting nuclides in the environment assume importance since they are found to be carcinogenic. Lime samples from Silchar in Assam of Eastern India have shown the presence of spontaneous fission fragments besides alphas. In the present study we look at the ratio of the average mass distribution of these fission fragments, that gives us an indication of the presence of the traces of transuranic elements.

Radioactive nuclear beam facilities based on projectile fragmentation

International Nuclear Information System (INIS)

Sherrill, B.M.

1992-01-01

The production of radioactive beams using direct separation techniques is discussed. The reaction mechanisms which can be used to produce radioactive beams with these techniques can be broadly divided into three groups, projectile fragmentation, nucleon transfer, and Coulomb disassociation. Radioactive nuclei produced in these ways have large forward momenta with relatively sharp angular distributions peaked near zero degrees which are suitable for collection with magnetic devices. Secondary beam intensities of up to a few percent of the primary beam intensity are possible, although depending on the production mechanism the beam emittance may be poor. Further beam purification can be achieved using atomic processes with profiled energy degraders. The features of the production reaction mechanism, separation techniques, and a review of world wide efforts are presented. The advantages and disadvantages of the method are presented, with discussion of techniques to overcome some of the disadvantages. (Author)

Delayed β ray spectrum of 235U fission fragments

International Nuclear Information System (INIS)

Pascholati, P.R.

1973-01-01

The time-dependent electron spectra of fission fragments from the thermal-neutron-induced fission of 235 U are calculated. The Gross theory of nuclear beta decay is used to obtain the decay constant and individual electron spectra. The mean energy per fission carried by the electrons and the number of electrons per fission are also calculated. Comparison of these calculated spectra to experimental ones shows good agreements. (Author) [pt

Rock models at Zielona Gora, Poland applied to the semi-empirical neutron tool calibration

International Nuclear Information System (INIS)

Czubek, J.A.; Ossowski, A.; Zorski, T.; Massalski, T.

1995-01-01

The semi-empirical calibration method applied to the neutron porosity tool is presented in this paper. It was used with the ODSN-102 tool of 70 mm diameter and equipped with an Am-Be neutron source at the calibration facility of Zielona Gora, Poland, inside natural and artificial rocks: four sandstone, four limestone and one dolomite block with borehole diameters of 143 and 216 mm, and three artificial ceramic blocks with borehole diameters of 90 and 180 mm. All blocks were saturated with fresh water, and fresh water was also inside all boreholes. In five blocks mineralized water (200,000 ppm NaCl) was introduced inside the boreholes. All neutron characteristics of the calibration blocks are given in this paper. The semi-empirical method of calibration correlates the tool readings observed experimentally with the general neutron parameter (GNP). This results in a general calibration curve, where the tool readings (TR) vs GNP are situated at one curve irrespective of their origin, i.e. of the formation lithology, borehole diameter, tool stand-off, brine salinity, etc. The n and m power coefficients are obtained experimentally during the calibration procedure. The apparent neutron parameters are defined as those sensed by a neutron tool situated inside the borehole and in real environmental conditions. When they are known, the GNP parameter can be computed analytically for the whole range of porosity at any kind of borehole diameter, formation lithology (including variable rock matrix absorption cross-section and density), borehole and formation salinity, tool stand-off and drilling fluid physical parameters. By this approach all porosity corrections with respect to the standard (e.g. limestone) calibration curve can be generated. (author)

Prediction of Physicochemical Properties of Organic Molecules Using Semi-Empirical Methods

International Nuclear Information System (INIS)

Kim, Chan Kyung; Kim, Chang Kon; Kim, Miri; Lee, Hai Whang; Cho, Soo Gyeong

2013-01-01

Prediction of physicochemical properties of organic molecules is an important process in chemistry and chemical engineering. The MSEP approach developed in our lab calculates the molecular surface electrostatic potential (ESP) on van der Waals (vdW) surfaces of molecules. This approach includes geometry optimization and frequency calculation using hybrid density functional theory, B3LYP, at the 6-31G(d) basis set to find minima on the potential energy surface, and is known to give satisfactory QSPR results for various properties of organic molecules. However, this MSEP method is not applicable to screen large database because geometry optimization and frequency calculation require considerable computing time. To develop a fast but yet reliable approach, we have re-examined our previous work on organic molecules using two semi-empirical methods, AM1 and PM3. This new approach can be an efficient protocol in designing new molecules with improved properties

Characterization of radioactive waste from nuclear power reactors

International Nuclear Information System (INIS)

Piumetti, Elsa H.; Medici, Marcela A.

2007-01-01

Different kinds of radioactive waste are generated as result of the operation of nuclear power reactors and in all cases the activity concentration of several radionuclides had to be determined in order to optimize resources, particularly when dealing with final disposal or long-term storage. This paper describes the three basic approaches usually employed for characterizing nuclear power reactor wastes, namely the direct methods, the semi-empirical methods and the analytical methods. For some radionuclides or kind of waste, the more suitable method or combination of methods applicable is indicated, stressing that these methods shall be developed and applied during the waste generation step, i.e. during the operation of the reactor. In addition, after remarking the long time span expected from waste generation to their final disposal, the importance of an appropriate record system is pointed out and some basic requirements that should be fulfilled for such system are presented. It is concluded that the tools for a proper characterization of nuclear reactor radioactive waste are available though such tools should be tailored to each specific reactor and their history. (author) [es

Nuclear fission studies: from LOHENGRIN to FIPPS

International Nuclear Information System (INIS)

Chebboubi, Abdelaziz

2015-01-01

Nuclear fission consists in splitting a nucleus, in general an actinide, into smaller nuclei. Despite nuclear fission was discovered in 1939 by Hahn and Strassman, fission models cannot predict the fission observables with an acceptable accuracy for nuclear fuel cycle studies for instance. Improvement of fission models is an important issue for the knowledge of the process itself and for the applications. To reduce uncertainties of the nuclear data used in a nuclear reactor simulation, a validation of the models hypothesis is mandatory. In this work, two features of the nuclear fission were investigated in order to test the resistance of the theories. One aspect is the study of the symmetric fission fragments through the measurement of their yield and kinetic energy distribution. The other aspect is the study of the fission fragment angular momentum.Two techniques are available to assess the angular momentum of a fission fragment. The first one is to look at the properties of the prompt gamma. The new spectrometer FIPPS (Fission Product Prompt gamma-ray Spectrometer), is currently under development at the ILL and will combine a fission filter with a large array of gamma and neutron detectors in order to respond to these issues. The first part of this work is dedicated to the study of the properties of a Gas Filled Magnet (GFM) which is the type of fission filter considered for the FIPPS project.The second part of this work deals with the measurement of isomeric yields and evaluations of the angular momentum distribution of fission fragments. The study of the spherical nucleus 132 Sn shed the light on the current limits of fission models. Finally, the last part of this work is about the measurement of the yields and kinetic energy distributions of symmetric fission fragments. Since models predict the existence of fission modes, the symmetry region is a suitable choice to investigate this kind of prediction. In parallel with all these studies, an emphasis on the

Finite size effects in the intermittency analysis of the fragment-size correlations

International Nuclear Information System (INIS)

Bozek, P.; Ploszajczak, M.; Tucholski, A.

1991-01-01

An influence of the finite size effect on the fragment-size correlations in the nuclear multifragmentation is studied using the method of scaled factorial moments for a 1 - dim percolation model and for a statistical model of the fragmentation process, which for a certain value of a tuning parameter yields the power-law behaviour of the fragment-size distribution. It is shown that the statistical models of this type contain only repulsive correlations due to the conservation laws. The comparison of the results with those obtained in the non-critical 1 - dim percolation and in the 3 - dim percolation at around the critical point is presented. Correlations in the 1 - dim percolation model are analysed analytically and the mechanism of the attractive correlations in 1 - dim and 3 - dim is identified. (author) 30 refs., 7 figs

Condensation During Nuclear Reactor Loca

International Nuclear Information System (INIS)

Rihan, Y.; Teamah, M.; Sorour, M.; Soliman, S.

2008-01-01

Two-phase channel flow with condensation is a common phenomenon occurs in a number of nuclear reactor accident scenarios. It also plays an important role during the operation of the safety coolant injection systems in advanced nuclear reactors. Semiempirical correlations and simple models based on the analogy between heat and mass transfer processes have been previously applied. Rigorous models, compatible with the state-of-the-art numerical algorithms used in thermal-hydraulic computer codes, are scare, and are of great interest. The objective of this research is to develop a method for modeling condensation, with noncondensable gases, compatible with the state-of-the-art numerical methods for the solution of multi-phase field equations. A methodology for modeling condensation, based on the stagnant film theory, and compatible with the reviewed numerical algorithms, is developed. The model treats the coupling between the heat and mass transfer processes, and allows for an implicit treatment of the mass and momentum exchange terms as the gas-liquid interphase, without iterations. The developed model was used in the application of loss of coolant in pressurized water reactor accidents

Final stage of high energy hadron-nucleus nuclear collision reactions

International Nuclear Information System (INIS)

Strugal'ski, Z.; Jedrzejec, H.; Strugalska-Gola, E.; Mulas, E.

1996-01-01

The final or 'slow' stage of the hadron-nucleus collision reactions at high energy is considered on the basis of the collision mechanism prompted experimentally. The transmutation process of the damaged target nucleus into nucleons and stable nuclear fragments is discussed. Relations between intensities or multiplicities n p of the emitted fast protons and the mean intensities or multiplicities b > of the evaporated nucleons and nuclear fragments are presented. 14 refs

Statistical and off-equilibrium production of fragments in heavy ion collisions at intermediate energies; Production statistique et hors-equilibre de fragments dans les collisions d`ions lourdes aux energies intermediaires

Energy Technology Data Exchange (ETDEWEB)

Bocage, Frederic [Lab. de Physique Corpusculaire, Caen Univ., 14 - Caen (France)

1998-12-15

The study of reaction products, fragments and light charged particles, emitted during heavy-ion collisions at intermediate energies has shown the dominant binary dissipative character of the reaction, which is persisting for almost all impact parameters. However, in comparison with this purely binary process, an excess of nuclear matter is observed in-between the quasi-projectile and the quasi-target. To understand the mechanisms producing such an excess, this work studies more precisely the breakup in two fragments of the quasi-projectile formed in Xe+Sn, from 25 to 50 MeV/u, and Gd+C and Gd+U at 36 MeV/u. The data were obtained during the first INDRA experiment at GANIL. The angular distributions of the two fragments show the competition between statistical fission and non-equilibrated breakup of the quasi-projectile. In the second case, the two fragments are aligned along the separation axis of the two primary partners. The comparison of the fission directions and probabilities with statistical models allows us to measure the fission time, as well as the angular momentum, temperature and size of the fissioning residue. The relative velocities are compatible with Coulomb and thermal effects in the case of statistical fission and are found much higher for the breakup of a non-equilibrated quasi-projectile, which indicates that the projectile was deformed during interaction with the target. Such deformations should be compared with dynamical calculations in order to constrain the viscosity of nuclear matter and the parameters of the nucleon-nucleon interaction, (author) 148 refs., 77 figs., 11 tabs.

Large fragment production calculations in relativistic heavy-ion reactions

International Nuclear Information System (INIS)

Seixas de Oliveira, L.F.

1978-12-01

The abrasion-ablation model is briefly described and then used to calculate cross sections for production of large fragments resulting from target or projectile fragmentation in high-energy heavy-ion collisions. The number of nucleons removed from the colliding nuclei in the abrasion stage and the excitation energy of the remaining fragments (primary products) are calculated with the geometrical picture of two different models: the fireball and the firestreak models. The charge-to-mass dispersion of the primary products is calculated using either a model which assumes no correlations between proton and neutron positions inside the nucleus (hypergeometric distribution) or a model based upon the zero-point oscillations of the giant dipole resonance (NUC-GDR). Standard Weisskopf--Ewing statistical evaporation calculations are used to calculate final product distributions. Results of the pure abrasion-ablation model are compared with a variety of experimental data. The comparisons show the insufficiency of the extra-surface energy term used in the abrasion calculations. A frictional spectator interaction (FSI) is introduced which increases the average excitation energy of the primary products, and improves the results considerably in most cases. Agreements and discrepancies of the results calculated with the different theoretical assumptions and the experimental data are studied. Of particular relevance is the possibility of observing nuclear ground-state correlations.Results of the recently completed experiment of fragmentation of 213 Mev/A 40 Ar projectiles are studied and shown not to be capable of answering that question unambiguously. But predictions for the upcoming 48 Ca fragmentation experiment clearly show the possibility of observing correlation effects. 78 references

Nuclear fragmentation in central collisions: Ni + Au from 32 to 90 A*MeV; Fragmentation dans les collisions centrales du systeme Ni + Au de 32 a 90 A MeV

Energy Technology Data Exchange (ETDEWEB)

Bellaize, N

2000-11-03

Heavy ion collisions are one of tools for studying nuclear system far away from its equilibrium state. This work concerns the most violent collisions in the Ni + Au system for incident energies ranging from 32 up to 90 AMeV. These events were detected with the multidetector INDRA and selected by the Principal Component Analysis (multidimensional analysis). This method classifies the events according their detection features and their degree of dissipation. We observed two deexcitation mechanisms: a fusion/fission - evaporation process and a multifragmentation process. Those two coexist from 32 to 52 AMeV whereas only one subsists at 90 AMeV. For those two mechanisms, an component was observed which seems to be linked to the initial phase of the reaction. The energy fluctuations of this component leads to variations in the energy deposit which determines the deexcitation of the system. The experimental multifragmentation data of the Ni + Au system (52 and 90 AMeV) were compared to the predictions of a statistical model and to the experimental data of the system Xe + Sn at 50 AMeV (also detected with INDRA). These comparisons show the lack of collective radial energy for fragments (Z{>=}10) in the Ni + Au system, and show that the degree of multifragmentation depends of the thermal excitation energy. Mean kinetic energies of particles and lights fragments (Z{>=}10) are larger in the Ni + Au system than the Xe + Sn system. This observation shows that these particles are more sensitive to the entrance channel for an asymmetric system than for a symmetric system (for the same number of nucleons). (author)

A one-dimensional semi-empirical model considering transition boiling effect for dispersed flow film boiling

Energy Technology Data Exchange (ETDEWEB)

Wang, Yu-Jou [Institute of Nuclear Engineering and Science, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China); Pan, Chin, E-mail: cpan@ess.nthu.edu.tw [Institute of Nuclear Engineering and Science, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China); Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China); Low Carbon Energy Research Center, National Tsing Hua University, Hsinchu 30013, Taiwan, ROC (China)

2017-05-15

Highlights: • Seven heat transfer mechanisms are studied numerically by the model. • A semi-empirical method is proposed to account for the transition boiling effect. • The parametric effects on the heat transfer mechanisms are investigated. • The thermal non-equilibrium phenomenon between vapor and droplets is investigated. - Abstract: The objective of this paper is to develop a one-dimensional semi-empirical model for the dispersed flow film boiling considering transition boiling effects. The proposed model consists of conservation equations, i.e., vapor mass, vapor energy, droplet mass and droplet momentum conservation, and a set of closure relations to address the interactions among wall, vapor and droplets. The results show that the transition boiling effect is of vital importance in the dispersed flow film boiling regime, since the flowing situation in the downstream would be influenced by the conditions in the upstream. In addition, the present paper, through evaluating the vapor temperature and the amount of heat transferred to droplets, investigates the thermal non-equilibrium phenomenon under different flowing conditions. Comparison of the wall temperature predictions with the 1394 experimental data in the literature, the present model ranging from system pressure of 30–140 bar, heat flux of 204–1837 kW/m{sup 2} and mass flux of 380–5180 kg/m{sup 2} s, shows very good agreement with RMS of 8.80% and standard deviation of 8.81%. Moreover, the model well depicts the thermal non-equilibrium phenomenon for the dispersed flow film boiling.

Analysis of U2 small nuclear RNA fragments in the bile differentiates cholangiocarcinoma from primary sclerosing cholangitis and other benign biliary disorders.

Science.gov (United States)

Baraniskin, Alexander; Nöpel-Dünnebacke, Stefanie; Schumacher, Brigitte; Gerges, Christian; Bracht, Thilo; Sitek, Barbara; Meyer, Helmut E; Gerken, Guido; Dechene, Alexander; Schlaak, Jörg F; Schroers, Roland; Pox, Christian; Schmiegel, Wolff; Hahn, Stephan A

2014-07-01

Up to now the diagnosis of early stage cholangiocarcinoma (CC) has remained difficult, with low sensitivities reported for current diagnostic methods. Based on recent promising findings about circulating U2 small nuclear RNA fragments (RNU2-1f) as novel blood-based biomarkers for pancreatic and colorectal adenocarcinoma, we studied the utility of RNU2-1f as a diagnostic marker of CC in bile fluid. Bile fluid was collected from patients with CC (n = 12), controls (patients with choledocholithiasis) (n = 11) and with primary sclerosing cholangitis (PSC; n = 11). RNU2-1f levels were measured by real-time polymerase chain reaction normalized to cel-54. Measurement of RNU2-1f levels in bile fluids enabled the differentiation of patients with CC from controls in all cases. Furthermore, RNU2-1f levels in bile fluids of patients with CC were significantly higher than in patients with PSC, resulting in a receiver-operating characteristic curve area of 0.856, with sensitivity of 67 % and specificity of 91 %. Our data suggest that the measurement of RNU2-1 fragments detected in the bile fluid can be used as a diagnostic marker for CC and should be included in future prospective diagnostic studies for this disease entity.

Controlled fragmentation

International Nuclear Information System (INIS)

Arnold, Werner

2002-01-01

Contrary to natural fragmentation, controlled fragmentation offers the possibility to adapt fragment parameters like size and mass to the performance requirements in a very flexible way. Known mechanisms like grooves inside the casing, weaken the structure. This is, however, excluded for applications with high accelerations during launch or piercing requirements for example on a semi armor piercing penetrator. Another method to achieve controlled fragmentation with an additional grid layer is presented with which the required grooves are produced 'just in time' inside the casing during detonation of the high explosive. The process of generating the grooves aided by the grid layer was studied using the hydrocode HULL with respect to varying grid designs and material combinations. Subsequent to this, a large range of these theoretically investigated combinations was contemplated in substantial experimental tests. With an optimised grid design and a suitable material selection, the controlled fragment admits a very flexible adaptation to the set requirements. Additional advantages like the increase of perforation performance or incendiary amplification can be realized with the grid layer

X-ray structure, semi-empirical MO calculations and π-electron delocalization of 1-cyanoacetyl-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1 H-pyrazoles

Science.gov (United States)

Martins, Marcos A. P.; Moreira, Dayse N.; Frizzo, Clarissa P.; Campos, Patrick T.; Longhi, Kelvis; Marzari, Mara R. B.; Zanatta, Nilo; Bonacorso, Helio G.

2010-04-01

The structure of three 1-cyanoacetyl-3-alkyl[aryl]-5-trifluoromethyl-5-hydroxy-4,5-dihydro-1 H-pyrazoles ( 1- 3) has been determined by X-ray diffractometry. The 4,5-dihydro-1 H-pyrazole rings were obtained as almost planar structures showing RMS deviation at a range of 0.0196-0.0736 Å. The data demonstrate that the molecular packing is dependent on the substituent present in each molecule. In addition, a computational investigation using semi-empirical AM1 and RM1 methods was performed in order to investigate the correlation between experimental and calculated geometrical parameters. The data obtained suggest that the structural data furnished by the AM1 method is in better agreement with those experimentally determined for the above compounds. An analysis of the π-electron delocalization by HOMA calculations indicate that there is a hyperconjugation effect in the imine group toward to phenyl group at ring 3-position of compound 2, and that this resonance effect decrease in compounds 1 and 3. In addition, it was showed that bond N(1) and C(6) do not have an amide character. Thus, the O(6)-C(6)-N(1)-N(2)-C(3) fragment is not completely delocalized mainly due to the low π-electron delocalization in N(1)-N(2) bond for all compounds.

Nuclear physics at GANIL. A compilation 1994-1995

International Nuclear Information System (INIS)

Bex, M.; Galin, J.

1996-09-01

Different aspects of heavy ion reactions have been investigated at GANIL. Recent results on nuclear fragmentation and nuclear reaction kinetics are presented. 67 items are indexed and abstracted separately for INIS database. (K.A.)

Nuclear physics at GANIL. A compilation 1994-1995

Energy Technology Data Exchange (ETDEWEB)

Bex, M; Galin, J [eds.

1996-09-01

Different aspects of heavy ion reactions have been investigated at GANIL. Recent results on nuclear fragmentation and nuclear reaction kinetics are presented. 67 items are indexed and abstracted separately for INIS database. (K.A.).

12C fragmentation at 95 MeV per nucleon for hadron-therapy. Experimental study and simulation with thick PMMA targets

International Nuclear Information System (INIS)

Braunn, B.

2010-11-01

A study of the 12 C fragmentation at 95 MeV per nucleon on thick PMMA targets is presented on this document. This study is motivated by the development of a new technique for irradiation of malignant tumours: the carbon ion therapy. The purpose of this work is to compare experimental data against nuclear models used in GEANT4 tool-kit. The aim is to determine if the models are sufficiently predictive to the criteria of hadron-therapy. To achieve this goal, a first experiment was performed at GANIL with a 12 C beam at 95 MeV/u and thick PMMA targets. This experiment has achieved the production rates, angular and energy distributions of different fragments produced in nuclear collisions. Comparisons between experimental data and simulated results obtained using the binary intra-nuclear cascade (BIC) and quantum molecular dynamics model (QMD) available in GEANT4 have been performed. These comparisons show the inability of the tested models to reproduce carbon fragmentation at 95 MeV per nucleon with the accuracy required in hadron-therapy. (author)

Nuclear research with heavy ions

International Nuclear Information System (INIS)

Kaplan, M.

1991-08-01

This report discusses the following topics: Asymmetric fission of 149 Tb* from the finite-range, rotating-liquid-drop model: mean total kinetic energies for binary fragmentation; charged-particle evaporation from hot composite nuclei: evidence over a broad Z range for distortions from cold nuclear profiles; the role of reversed kinematics and double kinematic solutions in nuclear reactions studies; production of intermediate-mass-fragments in the reaction 98 Mo + 51 V at an excitation energy E* = 224-MeV; emission of light charged particles in the reaction 344-MeV 28 Si + 121 Sb; continued developments of the statistical evaporation code LILITA N90; and planning for heavy-ion-collision studies at very high energies: the STAR collaboration at RHIC

Fragmentation cross sections outside the limiting-fragmentation regime

CERN Document Server

Sümmerer, K

2003-01-01

The empirical parametrization of fragmentation cross sections, EPAX, has been successfully applied to estimate fragment production cross sections in reactions of heavy ions at high incident energies. It is checked whether a similar parametrization can be found for proton-induced spallation around 1 GeV, the range of interest for ISOL-type RIB facilities. The validity of EPAX for medium-energy heavy-ion induced reactions is also checked. Only a few datasets are available, but in general EPAX predicts the cross sections rather well, except for fragments close to the projectile, where the experimental cross sections are found to be larger.

Semi-empirical model for prediction of unsteady forces on an airfoil with application to flutter

Science.gov (United States)

Mahajan, A. J.; Kaza, K. R. V.; Dowell, E. H.

1993-01-01

A semi-empirical model is described for predicting unsteady aerodynamic forces on arbitrary airfoils under mildly stalled and unstalled conditions. Aerodynamic forces are modeled using second order ordinary differential equations for lift and moment with airfoil motion as the input. This model is simultaneously integrated with structural dynamics equations to determine flutter characteristics for a two degrees-of-freedom system. Results for a number of cases are presented to demonstrate the suitability of this model to predict flutter. Comparison is made to the flutter characteristics determined by a Navier-Stokes solver and also the classical incompressible potential flow theory.

Evaluation of excitation energy and spin in fission fragments using the statistical model, and the FIPPS project

International Nuclear Information System (INIS)

Faust, H.; Koester, U.; Kessedjian, G.; Sage, C.; Chebboubi, A.

2013-01-01

We review the statistical model and its application for the process of nuclear fission. The expressions for excitation energy and spin distributions for the individual fission fragments are given. We will finally emphasize the importance of measuring prompt gamma decay to further test the statistical model in nuclear fission with the FIPPS project. (authors)

Universality of fragment shapes.

Science.gov (United States)

Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

2015-03-16

The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism.

Knockout and fragmentation reactions using a broad range of tin isotopes

Science.gov (United States)

Rodríguez-Sánchez, J. L.; Benlliure, J.; Bertulani, C. A.; Vargas, J.; Ayyad, Y.; Alvarez-Pol, H.; Atkinson, J.; Aumann, T.; Beceiro-Novo, S.; Boretzky, K.; Caamaño, M.; Casarejos, E.; Cortina-Gil, D.; Díaz-Cortes, J.; Fernández, P. Díaz; Estrade, A.; Geissel, H.; Kelić-Heil, A.; Litvinov, Yu. A.; Mostazo, M.; Paradela, C.; Pérez-Loureiro, D.; Pietri, S.; Prochazka, A.; Takechi, M.; Weick, H.; Winfield, J. S.

2017-09-01

Production cross sections of residual nuclei obtained by knockout and fragmentation reactions of different tin isotopes accelerated at 1 A GeV have been measured with the fragment separator (FRS) at GSI, Darmstadt. The new measurements are used to investigate the neutron-excess dependence of the neutron- and proton-knockout cross sections. These cross sections are compared to Glauber model calculations coupled to a nuclear de-excitation code in order to investigate the role of the remnant excitations. This bench marking shows an overestimation of the cross sections for the removal of deeply bound nucleons. A phenomenological increase in the excitation energy induced in the remnants produced in these cases allows us to reproduce the measured cross sections.

The importance of radiation for semiempirical water-use efficiency models

Science.gov (United States)

Boese, Sven; Jung, Martin; Carvalhais, Nuno; Reichstein, Markus

2017-06-01

Water-use efficiency (WUE) is a fundamental property for the coupling of carbon and water cycles in plants and ecosystems. Existing model formulations predicting this variable differ in the type of response of WUE to the atmospheric vapor pressure deficit of water (VPD). We tested a representative WUE model on the ecosystem scale at 110 eddy covariance sites of the FLUXNET initiative by predicting evapotranspiration (ET) based on gross primary productivity (GPP) and VPD. We found that introducing an intercept term in the formulation increases model performance considerably, indicating that an additional factor needs to be considered. We demonstrate that this intercept term varies seasonally and we subsequently associate it with radiation. Replacing the constant intercept term with a linear function of global radiation was found to further improve model predictions of ET. Our new semiempirical ecosystem WUE formulation indicates that, averaged over all sites, this radiation term accounts for up to half (39-47 %) of transpiration. These empirical findings challenge the current understanding of water-use efficiency on the ecosystem scale.

Semi-similar properties of light nuclear collisions

International Nuclear Information System (INIS)

Glagolev, V.V.; Hlavakova, J.; Martinska, G.; Urban, J.; Vytykacova, M.

2000-01-01

A new way of the representation of the nuclei fragmentation data is suggested. The self-similar behaviour of these processes called out by the kinematics is demonstrated. The convenience of working in accelerated nuclei is emphasized particularly for the determination of the binding energy of a wide class of nuclear fragments [ru

Nuclear-charge polarization at scission in fission from moderately excited light-actinide nuclei

International Nuclear Information System (INIS)

Nishinaka, Ichiro

2009-01-01

Fragment mass yields and the average neutron multiplicity in the proton-induced fission of 232 Th and 238 U were measured by a double time-of-flight method. The most probable charges of secondary fragments were evaluated from the fragment mass yields measured by the double time-of-flight method and the fractional cumulative and independent yields reported in literature. The nuclear-charge polarization of primary fragments at scission was obtained by correcting the most probable charge of secondary fragments for neutron evaporation. The results show that the nuclear-charge polarization at scission is associated with the liquid-drop properties of nuclei and the proton shell effect with Z = 50 of heavy fragments and that it is practically insensitive to mass and excitation energy of the fissioning nucleus in the region of light-actinide nuclei. (author)

1,3-thiazolium-5-thiolates mesoionic compounds: semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples

Energy Technology Data Exchange (ETDEWEB)

Lyra, Bruno F.; Morais, Soraya A. de; Rocha, Gerd B.; Athayde-Filho, Petronio F. de, E-mail: gbr@quimica.ufpb.b [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Dept. de Quimica; Miller, Joseph [Universidade Federal da Paraiba (UFPB), Joao Pessoa, PB (Brazil). Lab. de Tecnologia Farmaceutica; Moura, Gustavo L.C.; Simas, Alfredo M. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Quimica Fundamental; Peppe, Clovis [Universidade Federal de Santa Maria (UFSM), RS (Brazil). Dept. de Quimica

2010-07-01

Semiempirical AM1-TDHF calculations of the static first hyperpolarizabilities, beta(0), of 1,3-thiazolium-5-thiolate mesoionic derivatives were performed. Guided by these results, two new mesoionic compounds - 2-(4-nitrophenyl)-3-methyl-4-(methylphenyl)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3-methyl-4-(methoxyphenyl)-1,3-thiazolium-5-thiolate - were synthesized and characterized by analytical and spectroscopic means. (author)

Cluster formation in nuclear reactions from mean-field inhomogeneities

Science.gov (United States)

Napolitani, Paolo; Colonna, Maria; Mancini-Terracciano, Carlo

2018-05-01

Perturbing fluids of neutrons and protons (nuclear matter) may lead, as the most catastrophic effect, to the rearrangement of the fluid into clusters of nucleons. A similar process may occur in a single atomic nucleus undergoing a violent perturbation, like in heavy-ion collisions tracked in particle accelerators at around 30 to 50 MeV per nucleon: in this conditions, after the initial collision shock, the nucleus expands and then clusterises into several smaller nuclear fragments. Microscopically, when violent perturbation are applied to nuclear matter, a process of clusterisation arises from the combination of several fluctuation modes of large-amplitude where neutrons and protons may oscillate in phase or out of phase. The imposed perturbation leads to conditions of instability, the wavelengths which are the most amplified have sizes comparable to small atomic nuclei. We found that these conditions, explored in heavy-ion collisions, correspond to the splitting of a nucleus into fragments ranging from Oxygen to Neon in a time interval shorter than one zeptosecond (10 ‑ 21s). From the out-of-phase oscillations of neutrons and protons another property arises, the smaller fragments belonging to a more volatile phase get more neutron enriched: in the heavy-ion collision case this process, called distillation, reflects in the isotopic distributions of the fragments. The resulting dynamical description of heavy-ion collisions is an improvement with respect to more usual statistical approaches, based on the equilibrium assumption. It allows in fact to characterise also the very fast early stages of the collision process which are out of equilibrium. Such dynamical description is the core of the Boltzmann-Langevin One Body (BLOB) model, which in its latest development unifies in a common approach the description of fluctuations in nuclear matter, and a predictive description of the disintegration of nuclei into nuclear fragments. After a theoretical introduction, a few

Production of Energetic Light Fragments in Spallation Reactions

Directory of Open Access Journals (Sweden)

Mashnik Stepan G.

2014-03-01

Full Text Available Different reaction mechanisms contribute to the production of light fragments (LF from nuclear reactions. Available models cannot accurately predict emission of LF from arbitrary reactions. However, the emission of LF is important formany applications, such as cosmic-ray-induced single event upsets, radiation protection, and cancer therapy with proton and heavy-ion beams, to name just a few. The cascade-exciton model (CEM and the Los Alamos version of the quark-gluon string model (LAQGSM, as implemented in the CEM03.03 and LAQGSM03.03 event generators used in the Los Alamos Monte Carlo transport code MCNP6, describe quite well the spectra of fragments with sizes up to 4He across a broad range of target masses and incident energies. However, they do not predict high-energy tails for LF heavier than 4He. The standard versions of CEM and LAQGSM do not account for preequilibrium emission of LF larger than 4He. The aim of our work is to extend the preequilibrium model to include such processes. We do this by including the emission of fragments heavier than 4He at the preequilibrium stage, and using an improved version of the Fermi Break-up model, providing improved agreement with various experimental data.

Isotopic production cross-sections and recoil velocities of spallation-fission fragments in the reaction 238U(1A GeV)+e

CERN Document Server

Pereira, J; Wlazlo, W; Benlliure, J; Casarejos, E; Armbruster, P; Bernas, M; Enqvist, T; Legrain, R; Leray, S; Rejmund, F; Mustapha, B; Schmidt, K.-H; Stéphan, C; Taïeb, J; Tassan-Got, L; Volant, C; Boudard, A; Czajkowski, S; 10.1103/PhysRevC.75.014602

2007-01-01

Fission fragments of 1A GeV 238U nuclei interacting with a deuterium target have been investigatedwith the Fragment Separator (FRS) at GSI (Darmstadt) by measuring their isotopicproduction cross-sections and recoil velocities. The results, along with those obtained recently forspallation-evaporation fragments, provide a comprehensive analysis of the spallation nuclear productionsin the reaction 238U(1A GeV)+d. Details about experiment performance, data reductionand results will be presented.

Effect of hyperons on nuclear phase transition

International Nuclear Information System (INIS)

Das, P.; Mallik, S.; Chaudhuri, G.

2016-01-01

Phase transition of nuclear system in heavy ion-collisions at intermediate energy has been studied well for many years and it has also been extended to strange nuclear matter. Recently, using the Canonical Thermodynamical Model (CTM), detailed work on multiplicity distribution of fragments produced from fragmentation of hypernuclear system shows the existence of phase transition or phase coexistence in strange system with Λ-hyperons. In present work we want to continue the investigation on phase transition with respect to some other thermodynamic observables like free energy, specific heat etc. in order to be confirmed about the nature of the transition

The study of hadronic matter at the highest density; the search for the deconfined quark-gluon phase using 2 TeV anti p-p collisions; and the exclusive study of nuclear fragmentation using the Lawrence Berkeley Laboratory EOS-TPC

International Nuclear Information System (INIS)

Scharenberg, R.P.; Hirsch, A.S.

1990-01-01

This report discusses the: Fermilab experiment 735, a search for the quark-gluon plasma; an exclusive study of nuclear fragmentation using the EOS-TPC; and a study of the central rapidity region at the relativistic heavy ion collider

Outreach activity by using three-dimensional nuclear chart. Understanding nuclear physics and nuclear energy

International Nuclear Information System (INIS)

Koura, Hiroyuki

2015-01-01

A three-dimensional nuclear chart is constructed with toy blocks for usage of outreach activity related on nuclear physics and atomic energy. The height of each block represents quantities like atomic mass per nucleon, the total half-life, etc. The bulk properties of the nuclei can be easily understood by using these charts. Explanations for the energy generation of nuclear fusion and fission are visually given. In addition, we newly set another chart with blocks of fission fragment mass distribution from U-235 + a thermal neutron. As an example, the origin of abundances of rather radioactive isotopes like Sr-90 and Cs-137 is explained which created in nuclear reactor and also distributed in the eastern side of Fukushima prefecture due to the accident of Fukushima-Daiichi Nuclear Power Plant. Using our charts, lectures entitled 'Alchemy of the Universe' were delivered to high schools and public places. (author)

The effect of the Pauli principle on the fragmentation of one-quasiparticle states in spherical nuclei

International Nuclear Information System (INIS)

Khuong, C.Z.; Soloviev, V.G.; Voronov, V.V.

1981-01-01

The effect of the Pauli principle on the fragmentation of one-quasiparticle states in spherical nuclei is studied within the quasiparticle-phonon nuclear model. It is shown that the Pauli principle influences considerably the position and structure of a few low-lying states, the fragmentation of one-quasiparticle states at intermediate and high excitation energies is slightly affected by the Pauli principle, and the calculations can be performed by taking the Pauli principle roughly into account. (author)

Fragmentation of molten copper drop caused by entrapment of liquid sodium

International Nuclear Information System (INIS)

Abe, N.; Sugiyama, K.; Nishimura, S.; Kinoshita, I.

2001-01-01

In core meltdown accidents, it is possible to occur thermal interactions between molten fuel and coolant. Analysis of the steam explosion, which is one of the most severe phenomena in such thermal interactions, is important for the safety evaluation. The steam explosion is a phenomenon that intensive pressure waves are caused by the explosive thermal interaction between high and low temperature liquids, and is considered to be one of the phenomena that can cause a serious failure of the nuclear reactor structures. In a large-scale steam explosion, the fragmentation of hot molten material causes a rapid increase of heat transfer area, and it is achieved to transmit instantaneously a large amount of heat to coolant. Two ideas are chiefly considered as the mechanism of the fragmentation. The one is the hypothesis that hydrodynamic effect causes fragmentation of hot liquid. According to this hypothesis, the high temperature drops flake off from the surface. The other is that fragmentation is caused by the interface instability accompanied by collapse of the steam bubble formed around a hot liquid. In this research, the possibility of the internal fragmentation caused by the coolant jet is focused in. Experiments were conducted on the condition that the surface of melt drops solidify at the moment drops contact the coolant. The possibility of the fragmentation of hot liquid from its surface was eliminated in this condition. To satisfy this condition, molten copper was chosen as hot liquid, and liquid sodium was used as coolant to verify the effect of the driving force of the sodium jet. (author)

Influence of spin on fission fragments anisotropy

Directory of Open Access Journals (Sweden)

Ghodsi Omid N.

2005-01-01

Full Text Available An analysis of selected fission fragment angular distribution when at least one of the spins of the projectile or target is appreciable in induced fission was made by using the statistical scission model. The results of this model predicate that the spins of the projectile or target are affected on the nuclear level density of the compound nucleus. The experimental data was analyzed by means of the couple channel spin effect formalism. This formalism suggests that the projectile spin is more effective on angular anisotropies within the limits of energy near the fusion barrier.

Similarity of multi-fragmentation of residual nucleus created in nucleus-nucleus interactions at high energies

International Nuclear Information System (INIS)

Abdel-Hafiez, A.; Chernyavski, M.M.; Orlova, G.I.; Gulamov, K.G.; Navotny, V.SH.; Uzhinskii, V.V.

2000-01-01

Experimental data on multi-fragmentation of residual krypton nuclei created in the interactions of the krypton nuclei with photoemulsion nuclei ut energy of 0.9 GeV per nucleon are presented in a comparison with the analogous data on fragmentation of gold residual nuclei at the energy of 10.7 GeV/nucleon. It is shown for the first time that there are two regimes of nuclear multifragmentation: the former is when less than one-half of nucleons of projectile nucleus are knocked out, the later is when more than one-half of nucleons are knocked out. Residual nuclei with closed masses created at different reactions are fragmenting practically simultaneously when more than one-half of nucleons of original nuclei are knocked out. The evidence of existence of a radial flow of the spectator fragment at the decay of residual krypton nuclei is found

Fragments emission from light mass composite nuclei within collective clusterization mechanism

International Nuclear Information System (INIS)

Singh, BirBikram

2016-01-01

Based on the quantum mechanical fragmentation theory (QMFT) the dynamical cluster decay model (DCM) has been developed by Gupta and Collaborators to study the decay of hot and rotating compound systems. Number of compound nuclei (CN) in different mass regions have been studied quite extensively while taking into consideration nuclear structure effects in the same. It is quite relevant to mention here that in the binary decay of CN nuclear structure effects comes into picture, within DCM, via preformation probability P_0 of the complimentary fragments before penetrating the potential barrier between them with certain probability P . It is interesting to note here that the statistical models treat various decay modes of the CN on different footing contrary to the DCM. In very light mass region the decay of number of composite systems "2"0","2"1","2"2Ne*, "2"6"-"2"9Al, "2"8Si, "3"1P, "3"2S, "3"9K and "4"0Ca*, formed in low energy heavy ion reactions, have been investigated for different reaction mechanisms particularly fusion-fission (FF) and deep inelastic orbiting (DIO) from equilibrated and non-equilibrated compound nucleus processes, respectively

One-Body Potential Theory of Molecules and Solids Modified Semiempirically for Electron Correlation

International Nuclear Information System (INIS)

March, N.H.

2010-08-01

The study of Cordero, March and Alonso (CMA) for four spherical atoms, Be,Ne,Mg and Ar, semiempirically fine-tunes the Hartree-Fock (HF) ground-state electron density by inserting the experimentally determined ionization potentials. The present Letter, first of all, relates this approach to the very recent work of Bartlett 'towards an exact correlated orbital theory for electrons'. Both methods relax the requirement of standard DFT that a one-body potential shall generate the exact ground-state density, though both work with high quality approximations. Unlike DFT, the CMA theory uses a modified HF non-local potential. It is finally stressed that this potential generates also an idempotent Dirac density matrix. The CMA approach is thereby demonstrated to relate, albeit approximately, to the DFT exchange-correlation potential. (author)

String fragmentation; La fragmentation des cordes

Energy Technology Data Exchange (ETDEWEB)

Drescher, H.J.; Werner, K. [Laboratoire de Physique Subatomique et des Technologies Associees - SUBATECH, Centre National de la Recherche Scientifique, 44 - Nantes (France)

1997-10-01

The classical string model is used in VENUS as a fragmentation model. For the soft domain simple 2-parton strings were sufficient, whereas for higher energies up to LHC, the perturbative regime of the QCD gives additional soft gluons, which are mapped on the string as so called kinks, energy singularities between the leading partons. The kinky string model is chosen to handle fragmentation of these strings by application of the Lorentz invariant area law. The `kinky strings` model, corresponding to the perturbative gluons coming from pQCD, takes into consideration this effect by treating the partons and gluons on the same footing. The decay law is always the Artru-Menessier area law which is the most realistic since it is invariant to the Lorentz and gauge transformations. For low mass strings a manipulation of the rupture point is necessary if the string corresponds already to an elementary particle determined by the mass and the flavor content. By means of the fragmentation model it will be possible to simulate the data from future experiments at LHC and RHIC 3 refs.

Microscopical descriptions of the fission fragmentation developed at CEA Bruyeres (France)

International Nuclear Information System (INIS)

Sida, J. L.

2007-01-01

The fission process has been studied from 1939 but there is no full theoretical description of the process. Two approaches have been developped at CEA Bruyeres le Chatel (France) in the basis of microscopic calculations with the Gogny Force. The first one is based on mean field calculations of the fission parameters (Potential enegy landscape, inertial parameters). The evolution of the wave function of the system is followed from the saddle point to the scission line in an adiabatic dynamical approach in order to determine the fission fragment distributions [GOU04]. The second one used the theoretical nuclear database AMEDEE (http://www-phynu.cea.fr/science_en_ligne/carte_potentiels_microscopiques/carte_potentiel_nucleaire.htm) which includes the mean field potential of more than 7000 nuclei. A precise energy balance is done at the scission point in order to define the available energy for each possible fragmentation. A statistical model is than used to determine the fragments distributions [HEI06]. This work is an improvement of the statistical scission point model of Wilkins et al [WIL76]. The free parameters of the previous description have been reduced to the minimum and there is still one parameter value that define the scission configuration which is not used ass a free parameter but has been fixed for the systematic that will be presented. This two microscopical models will be presented and the results will be discussed and compared to experiments. We will also point on their possible use to realize data evaluation for the burn-up of minor actinides, wastes of nuclear plants. (Author)

Spatial and energy distributions of the fragments resulting from the dissociation of swift molecular ions in solids

International Nuclear Information System (INIS)

Heredia-Avalos, Santiago; Garcia-Molina, Rafael; Abril, Isabel

2002-01-01

We have simulated the spatial evolution and energy loss of the fragments that result when swift molecular ions dissociate inside solid targets. In our calculations we have considered that these fragments undergo the following interactions: Coulomb repulsion (among like charged particles), stopping and wake forces (due to electronic excitations induced in the target), and nuclear scattering (with the target nuclei). We study the case of silicon targets irradiated with boron molecular or atomic ions; our results show that the main differences in the energy and spatial distributions of molecular fragments or atomic ions appear at shallow regions, and these tend to disappear at deeper depths

Analysis for fragmentation products of proton-induced reactions on Pb with energy up to GeV

International Nuclear Information System (INIS)

Fan Sheng; Li Zhuxia; Zhao Zhixiang; Ding Dazhao

2002-01-01

The mass and charge distribution of residual products produced in the spallation reaction needs to be studied because it can provide useful information for the disposal of nuclear and the radiation damage in the spallation target. The mass and charge distribution of the spallation products is studied by using quantum molecular dynamic (QMD) models. The simulation results are well agreed with the experimental data of the spallation fragment and empirical formula. However, QMD model does not include the fission process; the calculations can not reproduce the fission fragment. The fission model is introduced into QMD model to investigate the fragment products from proton-induced reactions on Pb. The results are in good agreement with the experimental data

Nuclear Structure in China 2010

Science.gov (United States)

Bai, Hong-Bo; Meng, Jie; Zhao, En-Guang; Zhou, Shan-Gui

2011-08-01

fragmentation at the intermediate energy / C. W. Ma ... [et al.].Systematic study of spin assignment and dynamic moment of inertia of high-j intruder band in [symbol]In / K. Y. Ma ... [et al.] -- Signals of diproton emission from the three-body breakup channel of [symbol]Al and [symbol]Mg / Ma Yu-Gang ... [et al.] -- Uncertainties of Th/Eu and Th/Hf chronometers from nucleus masses / Z. M. Niu ... [et al.] -- The chiral doublet bands with [symbol] configuration in A[symbol]100 mass region / B. Qi ... [et al.] -- [symbol] formation probabilities in nuclei and pairing collectivity / Chong Qi -- A theoretical prospective on triggered gamma emission from [symbol]Hf[symbol] isomer / ShuiFa Shen ... [et al.] -- Study of nuclear giant resonances using a Fermi-liquid method / Bao-Xi Sun -- Rotational bands in doubly odd [symbol]Sb / D. P. Sun ... [et al.] -- The study of the neutron N=90 nuclei / W. X. Teng ... [et al.] -- Dynamical modes and mechanisms in ternary reaction of [symbol]Au+[symbol]Au / Jun-Long Tian ... [et al.] -- Dynamical study of X(3872) as a D[symbol] molecular state / B. Wang ... [et al.] -- Super-heavy stability island with a semi-empirical nuclear mass formula / N. Wang ... [et al.] -- Pseudospin partner bands in [symbol]Sb / S. Y. Wang ... [et al.] -- Study of elastic resonance scattering at CIAE / Y. B. Wang ... [et al.] -- Systematic study of survival probability of excited superheavy nuclei / C. J. Xia ... [et al.] -- Angular momentum projection of the Nilsson mean-field plus nearest-orbit pairing interaction model / Ming-Xia Xie ... [et al.] -- Possible shape coexistence for [symbol]Sm in a reflection-asymmetric relativistic mean-field approach / W. Zhang ... [et al.] -- Nuclear pairing reduction due to rotation and blocking / Zhen-Hua Zhang -- Nucleon pair approximation of the shell model: a review and perspective / Y. M. Zhao ... [et al.] -- Band structures in doubly odd [symbol]I / Y. Zheng ... [et al.] -- Lifetimes of high spin states in [symbol]Ag / Y

Correlations of intermediate mass fragments from Fe+Ta, Au, and Th collisions

International Nuclear Information System (INIS)

Sangster, T.C.; Begemann-Blaich, M.; Blaich, T.; Britt, H.C.; Hansen, L.F.; Namboodiri, M.N.; Peilert, G.

1995-01-01

Charge, velocity, and angular correlations between intermediate mass fragments (IMF) are presented for 50 and 100 MeV/nucleon Fe bombardments of Ta, Au, and Th targets. Correlation functions generated as a function of the relative velocity and the opening angle between two IMF's are qualitatively independent of the projectile energy and target mass and show a suppression at small relative velocities and opening angles due to the Coulomb repulsion between the fragments. The correlations are consistent with IMF's emitted primarily from a highly excited target residue following a rapid preequilibrium cascade. The correlation data are compared to model calculations using the event generator MENEKA and the quantum molecular dynamics (QMD) code with a statistical deexcitation of residual fragments utilizing the multifragmentation code SMM. All data are consistent with a simultaneous multifragmentation at a freeze-out density of 0.1--0.3 times normal nuclear matter density or a more sequential emission with time constant τ≤500 fm/c

Nuclear fission and reactions

International Nuclear Information System (INIS)

Anon.

1975-01-01

The nuclear fission research programs are designed to elucidate basic features of the fission process. Specifically, (1) factors determining how nucleons of a fissioning nucleus are distributed between two fission fragments, (2) factors determining kinetic energy and excitation energies of fragments, and (3) factors controlling fission lifetimes. To these ends, fission studies are reported for several heavy elements and include investigations of spontaneous and neutron-induced fission, heavy ion reactions, and high energy proton reactions. The status of theoretical research is also discussed. (U.S.)

Analytical solution for shielding in teletherapy rooms with Co60 according to semiempirical equation of attenuation

International Nuclear Information System (INIS)

Saez, D.G.; Borroto, M.

1996-01-01

The paper presents the parameters for a semiempirical equation of an exponential-polynomial type for the description of the transmission data of the different qualities of the Co-60 radiation in finite means of concrete (2350 kg m -3 ) and lead. This equation and the expression obtained for the relationship of scatter-to-incident exposure, help in the development of a computerized analytical solution of the Simpkin's method for shielding calculations in Co-60 teletherapy rooms. The results were compared with the values offered in the NCRP-49 for the same conditions, obtaining an acceptable correlation. (authors). 8 refs., 2 tabs

Fission fragment angular momentum

International Nuclear Information System (INIS)

Frenne, D. De

1991-01-01

Most of the energy released in fission is converted into translational kinetic energy of the fragments. The remaining excitation energy will be distributed among neutrons and gammas. An important parameter characterizing the scission configuration is the primary angular momentum of the nascent fragments. Neutron emission is not expected to decrease the spin of the fragments by more than one unit of angular momentum and is as such of less importance in the determination of the initial fragment spins. Gamma emission is a suitable tool in studying initial fragment spins because the emission time, number, energy, and multipolarity of the gammas strongly depend on the value of the primary angular momentum. The main conclusions of experiments on gamma emission were that the initial angular momentum of the fragments is large compared to the ground state spin and oriented perpendicular to the fission axis. Most of the recent information concerning initial fragment spin distributions comes from the measurement of isomeric ratios for isomeric pairs produced in fission. Although in nearly every mass chain isomers are known, only a small number are suitable for initial fission fragment spin studies. Yield and half-life considerations strongly limit the number of candidates. This has the advantage that the behavior of a specific isomeric pair can be investigated for a number of fissioning systems at different excitation energies of the fragments and fissioning nuclei. Because most of the recent information on primary angular momenta comes from measurements of isomeric ratios, the global deexcitation process of the fragments and the calculation of the initial fragment spin distribution from measured isomeric ratios are discussed here. The most important results on primary angular momentum determinations are reviewed and some theoretical approaches are given. 45 refs., 7 figs., 2 tabs

Target fragmentation in deep inelastic scattering of 14.5 GeV electrons from nuclei

International Nuclear Information System (INIS)

Degtyarenko, P.; Gavrilov, V.; Shuvalov, S.

1993-01-01

Results will be presented for inclusive pion, kaon, proton and deuteron electroproduction from light nuclei (mainly 12 C and 16 O) of the residual gas in the beam pipe of the TPC/2γ detector at SLAC. Counter-circulating beams of 14.5 GeV electrons and positrons were used. Comparison will be made with the fragmentation of 2 H, 40 Ar, and Xe target nuclei in several regions of Q 2 and ν. The dependence of the hadron production on the hadron's kinetic energy, emission angle, and x f will be presented. The results will be compared with models of nuclear fragmentation

Fragment-based drug discovery and protein–protein interactions

Directory of Open Access Journals (Sweden)

Turnbull AP

2014-09-01

Full Text Available Andrew P Turnbull,1 Susan M Boyd,2 Björn Walse31CRT Discovery Laboratories, Department of Biological Sciences, Birkbeck, University of London, London, UK; 2IOTA Pharmaceuticals Ltd, Cambridge, UK; 3SARomics Biostructures AB, Lund, SwedenAbstract: Protein–protein interactions (PPIs are involved in many biological processes, with an estimated 400,000 PPIs within the human proteome. There is significant interest in exploiting the relatively unexplored potential of these interactions in drug discovery, driven by the need to find new therapeutic targets. Compared with classical drug discovery against targets with well-defined binding sites, developing small-molecule inhibitors against PPIs where the contact surfaces are frequently more extensive and comparatively flat, with most of the binding energy localized in “hot spots”, has proven far more challenging. However, despite the difficulties associated with targeting PPIs, important progress has been made in recent years with fragment-based drug discovery playing a pivotal role in improving their tractability. Computational and empirical approaches can be used to identify hot-spot regions and assess the druggability and ligandability of new targets, whilst fragment screening campaigns can detect low-affinity fragments that either directly or indirectly perturb the PPI. Once fragment hits have been identified and confirmed using biochemical and biophysical approaches, three-dimensional structural data derived from nuclear magnetic resonance or X-ray crystallography can be used to drive medicinal chemistry efforts towards the development of more potent inhibitors. A small-scale comparison presented in this review of “standard” fragments with those targeting PPIs has revealed that the latter tend to be larger, be more lipophilic, and contain more polar (acid/base functionality, whereas three-dimensional descriptor data indicate that there is little difference in their three

Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

Science.gov (United States)

Benson, Mark L.; Faver, John C.; Ucisik, Melek N.; Dashti, Danial S.; Zheng, Zheng; Merz, Kenneth M.

2012-05-01

Two families of binding affinity estimation methodologies are described which were utilized in the SAMPL3 trypsin/fragment binding affinity challenge. The first is a free energy decomposition scheme based on a thermodynamic cycle, which included separate contributions from enthalpy and entropy of binding as well as a solvent contribution. Enthalpic contributions were estimated with PM6-DH2 semiempirical quantum mechanical interaction energies, which were modified with a statistical error correction procedure. Entropic contributions were estimated with the rigid-rotor harmonic approximation, and solvent contributions to the free energy were estimated with several different methods. The second general methodology is the empirical score LISA, which contains several physics-based terms trained with the large PDBBind database of protein/ligand complexes. Here we also introduce LISA+, an updated version of LISA which, prior to scoring, classifies systems into one of four classes based on a ligand's hydrophobicity and molecular weight. Each version of the two methodologies (a total of 11 methods) was trained against a compiled set of known trypsin binders available in the Protein Data Bank to yield scaling parameters for linear regression models. Both raw and scaled scores were submitted to SAMPL3. Variants of LISA showed relatively low absolute errors but also low correlation with experiment, while the free energy decomposition methods had modest success when scaling factors were included. Nonetheless, re-scaled LISA yielded the best predictions in the challenge in terms of RMS error, and six of these models placed in the top ten best predictions by RMS error. This work highlights some of the difficulties of predicting binding affinities of small molecular fragments to protein receptors as well as the benefit of using training data.

Analysis of fission-fragment mass distribution within the quantum-mechanical fragmentation theory

Energy Technology Data Exchange (ETDEWEB)

Singh, Pardeep; Kaur, Harjeet [Guru Nanak Dev University, Department of Physics, Amritsar (India)

2016-11-15

The fission-fragment mass distribution is analysed for the {sup 208}Pb({sup 18}O, f) reaction within the quantum-mechanical fragmentation theory (QMFT). The reaction potential has been calculated by taking the binding energies, Coulomb potential and proximity potential of all possible decay channels and a stationary Schroedinger equation has been solved numerically to calculate the fission-fragment yield. The overall results for mass distribution are compared with those obtained in experiment. Fine structure dips in yield, corresponding to fragment shell closures at Z = 50 and N=82, which are observed by Bogachev et al., are reproduced successfully in the present calculations. These calculations will help to estimate the formation probabilities of fission fragments and to understand many related phenomena occurring in the fission process. (orig.)

Nuclear research with heavy ions. Annual progress report, January 1, 1979-December 31, 1979

International Nuclear Information System (INIS)

Kaplan, M.

1979-10-01

The experimental research emphasizes the detection and measurement of light charged particles emitted in reactions between heavy ions and complex nuclei. The program involves a collaboration between Carnegie-Mellon University and SUNY at Stony Brook, and utilizes the SuperHILAC and 88'' cyclotron accelerator facilities of the Lawrence Berkeley Laboratory. Correlations between light charged particles and heavy fragments provide detailed insights into the dynamics of the reaction mechanism. The light charged particles evaporated from fully accelerated fragments yield information on the excitation energies and spins of the equilibrated reaction products, whereas those particles that are emitted prior to thermal equilibration give a view of the early stages of the reaction. Experimental results of fusion and charged particle emission cross sections are discussed for a variety of heavy ion reactions, particularly those induced by 40 Ar ions. The theoretical development of the statistical model as applied to particle evaporation is reviewed, and semiempirical methods for facilitating comparisons with experimental data are presented. Current results from singles and coincidence experiments are given in detail for reactions of 340-MeV 40 Ar with Au, and analyses of average spins and energy sharing among particles are discussed

Ultrafast fragmentation dynamics of triply charged carbon dioxide: Vibrational-mode-dependent molecular bond breakage

Science.gov (United States)

Yang, HongJiang; Wang, Enliang; Dong, WenXiu; Gong, Maomao; Shen, Zhenjie; Tang, Yaguo; Shan, Xu; Chen, Xiangjun

2018-05-01

The a b i n i t i o molecular dynamics (MD) simulations using an atom-centered density matrix propagation method have been carried out to investigate the fragmentation of the ground-state triply charged carbon dioxide, CO23 +→C+ + Oa+ + Ob+ . Ten thousands of trajectories have been simulated. By analyzing the momentum correlation of the final fragments, it is demonstrated that the sequential fragmentation dominates in the three-body dissociation, consistent with our experimental observations which were performed by electron collision at impact energy of 1500 eV. Furthermore, the MD simulations allow us to have detailed insight into the ultrafast evolution of the molecular bond breakage at a very early stage, within several tens of femtoseconds, and the result shows that the initial nuclear vibrational mode plays a decisive role in switching the dissociation pathways.

Hypervelocity Impact Test Fragment Modeling: Modifications to the Fragment Rotation Analysis and Lightcurve Code

Science.gov (United States)

Gouge, Michael F.

2011-01-01

Hypervelocity impact tests on test satellites are performed by members of the orbital debris scientific community in order to understand and typify the on-orbit collision breakup process. By analysis of these test satellite fragments, the fragment size and mass distributions are derived and incorporated into various orbital debris models. These same fragments are currently being put to new use using emerging technologies. Digital models of these fragments are created using a laser scanner. A group of computer programs referred to as the Fragment Rotation Analysis and Lightcurve code uses these digital representations in a multitude of ways that describe, measure, and model on-orbit fragments and fragment behavior. The Dynamic Rotation subroutine generates all of the possible reflected intensities from a scanned fragment as if it were observed to rotate dynamically while in orbit about the Earth. This calls an additional subroutine that graphically displays the intensities and the resulting frequency of those intensities as a range of solar phase angles in a Probability Density Function plot. This document reports the additions and modifications to the subset of the Fragment Rotation Analysis and Lightcurve concerned with the Dynamic Rotation and Probability Density Function plotting subroutines.

Measurement of jet fragmentation functions and of their moments in $pp$ collisions at $\\sqrt{s}=2.76$ TeV with ALICE at the LHC

CERN Document Server

AUTHOR|(CDS)2074876; Kabana, Sonja; Shabetai, Alexandre; Zhou, Daicui

A cross-over between ordinary nuclear matter and a state of de-confined quarks and gluons, the Quark Gluon Plasma (QGP), is predicted by lattice QCD calculations at low chemical potential and high temperature in the nuclear phase diagram. Experimentally, ultra-relativistic heavy ion collisions are used to produce and study the hot and dense QGP medium. Produced in a hard scattering at the early stage of the collision a highly energetic parton is first expected to lose energy in the medium before fragmenting into a hadronic spray of particles called jet. A detailed study of the modification of the jet structure and of its fragmentation pattern in vacuum and in medium should provide insights into the QGP properties. The jet fragmentation functions describe the momentum distribution of hadrons inside a reconstructed jet. In proton-proton ($pp$) collisions their measurement is important for understanding the mechanisms of parton fragmentation. Such measurements also provide a test of perturbative Quantum Chro...

Fragment capture device

Science.gov (United States)

Payne, Lloyd R.; Cole, David L.

2010-03-30

A fragment capture device for use in explosive containment. The device comprises an assembly of at least two rows of bars positioned to eliminate line-of-sight trajectories between the generation point of fragments and a surrounding containment vessel or asset. The device comprises an array of at least two rows of bars, wherein each row is staggered with respect to the adjacent row, and wherein a lateral dimension of each bar and a relative position of each bar in combination provides blockage of a straight-line passage of a solid fragment through the adjacent rows of bars, wherein a generation point of the solid fragment is located within a cavity at least partially enclosed by the array of bars.

Nuclear structure and order-to-chaos transition

International Nuclear Information System (INIS)

Solov'ev, V.G.

1995-01-01

A general scheme of the nuclear many-body problem is presented. Different models for description of low-lying states and giant resonances are discussed. The wave functions of the low-lying states have a single dominating one-quasiparticle or quasiparticle O+ phonon or one-phonon component. They demonstrate the regularity in nuclei. Giant resonances are determined by strongly fragmented one-phonon components of the wave functions. The wave functions at higher excitation energies have two-, three-and many-phonon components. Based on the statement that there is order in the large and chaos in the small components of the nuclear wave functions, the order-to-chaos transition is treated as a transition from the large to the small components of the wave functions. A quasiparticle-phonon interaction is responsible for the fragmentation of one- and many-quasiparticle and phonon states and for the mixing of closely spaced states. Therefore, experimental investigation of the fragmentation of many-quasiparticle and phonon states plays a decisive role. 30 refs

Modelling of proton exchange membrane fuel cell performance based on semi-empirical equations

Energy Technology Data Exchange (ETDEWEB)

Al-Baghdadi, Maher A.R. Sadiq [Babylon Univ., Dept. of Mechanical Engineering, Babylon (Iraq)

2005-08-01

Using semi-empirical equations for modeling a proton exchange membrane fuel cell is proposed for providing a tool for the design and analysis of fuel cell total systems. The focus of this study is to derive an empirical model including process variations to estimate the performance of fuel cell without extensive calculations. The model take into account not only the current density but also the process variations, such as the gas pressure, temperature, humidity, and utilization to cover operating processes, which are important factors in determining the real performance of fuel cell. The modelling results are compared well with known experimental results. The comparison shows good agreements between the modeling results and the experimental data. The model can be used to investigate the influence of process variables for design optimization of fuel cells, stacks, and complete fuel cell power system. (Author)

A semiempirical correlation between enthalpy of vaporization and saturation concentration for organic aerosol.

Science.gov (United States)

Epstein, Scott A; Riipinen, Ilona; Donahue, Neil M

2010-01-15

To model the temperature-induced partitioning of semivolatile organics in laboratory experiments or atmospheric models, one must know the appropriate heats of vaporization. Current treatments typically assume a constant value of the heat of vaporization or else use specific values from a small set of surrogate compounds. With published experimental vapor-pressure data from over 800 organic compounds, we have developed a semiempirical correlation between the saturation concentration (C*, microg m(-3)) and the heat of vaporization (deltaH(VAP), kJ mol(-1)) for organics in the volatility basis set. Near room temperature, deltaH(VAP) = -11 log(10)C(300)(*) + 129. Knowledge of the relationship between C* and deltaH(VAP) constrains a free parameter in thermodenuder data analysis. A thermodenuder model using our deltaH(VAP) values agrees well with thermal behavior observed in laboratory experiments.

Semi-empirical long-term cycle life model coupled with an electrolyte depletion function for large-format graphite/LiFePO4 lithium-ion batteries

Science.gov (United States)

Park, Joonam; Appiah, Williams Agyei; Byun, Seoungwoo; Jin, Dahee; Ryou, Myung-Hyun; Lee, Yong Min

2017-10-01

To overcome the limitation of simple empirical cycle life models based on only equivalent circuits, we attempt to couple a conventional empirical capacity loss model with Newman's porous composite electrode model, which contains both electrochemical reaction kinetics and material/charge balances. In addition, an electrolyte depletion function is newly introduced to simulate a sudden capacity drop at the end of cycling, which is frequently observed in real lithium-ion batteries (LIBs). When simulated electrochemical properties are compared with experimental data obtained with 20 Ah-level graphite/LiFePO4 LIB cells, our semi-empirical model is sufficiently accurate to predict a voltage profile having a low standard deviation of 0.0035 V, even at 5C. Additionally, our model can provide broad cycle life color maps under different c-rate and depth-of-discharge operating conditions. Thus, this semi-empirical model with an electrolyte depletion function will be a promising platform to predict long-term cycle lives of large-format LIB cells under various operating conditions.

Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of 235U

International Nuclear Information System (INIS)

Montoya, M.; Rojas, J.; Saettone, E.

2007-01-01

The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of 235 U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution (σ e (m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

Emission of fragments in heavy ion-collisions at Fermi energy

International Nuclear Information System (INIS)

Normand, J.

2001-10-01

The study of reaction mechanisms in Fermi energy domain has shown the dominant binary character of the process. The two heavy sources produced after the first stage of the interaction (the quasi-projectile QP and the quasi-target QT) can experience various decay modes from evaporation to multifragmentation. However, the presence of light fragments at mid rapidity cannot be explained by the standard decay of the QP and the QT. To understand the mechanisms producing such a contribution, the break-up of the QP has been studied on the following systems: Xe+Sn from 25 to 50 MeV/A, Ta+Au and Ta+U at 33, 39.6 MeV/A and U+U at 24 MeV/A. The experiment has been performed at GANIL with the INDRA multidetector. The particular behaviour of the heaviest fragment and the correlation between the charge and the velocity of the fragments suggest a shape deformation followed by the rupture of a neck formed in between the two partners of the collision. The heaviest fragment could be the reminiscence of the projectile. A method based on the angular distribution of the heaviest fragment has allowed to separate the statistical break-up of the QP and the non equilibrated break-up. The statistical break-up ranges from 30 % to 75 % of the break-ups. The comparison of the statistical component with a statistical model gives information about the charge, the angular momentum and the temperature of the QP. The comparison of the non equilibrated component with dynamical models could give information about the parameters of the nuclear interaction in medium. (author)

Relative stability of radicals derived from artemisinin: A semiempirical and DFT study

Science.gov (United States)

Arantes, C.; de Araujo, M. T.; Taranto, A. G.; de M. Carneiro, J. W.

The semiempirical AM1 and PM3 methods, as well as the density functional (DFT/B3LYP) approach using the 6-31g(d) basis set, were employed to calculate the relative stability of intermediate radicals derived from artemisinin, a sesquiterpene lactone having an endoperoxide bridge that is essential for its antimalarial activity. The compounds studied have their nonperoxidic oxygen atom of the trioxane ring and/or the carbonyl group replaced by a CH2 unit. Relative stabilities were calculated by means of isodesmic equations using artemisinin as reference. It was found that replacement of oxygen atoms decreases the relative stability of the anionic radical intermediates. In contrast, for compounds with inverted stereochemistry the intermediate radicals were found to be more stable than those with the artemisinin-like stereochemistry. These relative stabilities may modulate the antimalarial potency. Radicals centered on carbon are always more stable than the corresponding radicals centered on oxygen.

Nuclear energy release in hadron-nucleus collisions

International Nuclear Information System (INIS)

Strugalski, Z.; Strugalska-Gola, E.

1998-01-01

Energy release process in nuclear reactions induced by fast hadrons in hadron-nucleus collisions is discussed. Some portion of the internal nuclear energy is released when the locally damaged in a collision, and instable therefore, residual target nucleus transits itself into light nuclear fragments (nucleons, D, T) and a stable lighter final nucleus or some number of stable lighter nuclei. It is not excluded that in some of the collisions the induced intranuclear nuclear reactions may be energy overcompensating. Corresponding reconnaissance should be made - in analysing the nuclear reactions induced in hadron-nucleus collisions

Chemical consequences of nuclear transformations

International Nuclear Information System (INIS)

Collins, C.H.; Lancas, F.M.; Andrade, J.C. de; Collins, K.E.

1979-01-01

The recombination processes of chemical bonds in liquid phase, after being split by nuclear transformations, include hot and diffuse reactions. Both processes probably occur by different mechanisms. The direct substitution process as well as processes which involve atoms, ions or other fragments retained in 'cages' formed by surrounding molecules, are processes not sensitive to the presence of a sequestering agent. The diffuse reactions whose fragments escaped from the 'cage' involve reactions with any reactive species found in the medium. (Author) [pt

Semiempirical calculation of van der Waals coefficients for alkali-metal and alkaline-earth-metal atoms

International Nuclear Information System (INIS)

Mitroy, J.; Bromley, M.W.J.

2003-01-01

The van der Waals coefficients, C 6 , C 8 , and C 10 for the alkali-metal (Li, Na, K, and Rb) and alkaline-earth-metal (Be, Mg, Ca, and Sr) atoms are estimated by a combination of ab initio and semiempirical methods. Polarizabilities and atom-wall coefficients are given as a diagnostic check, and the lowest order nonadiabatic dispersion coefficient, D 8 and the three-body coefficient, C 9 are also presented. The dispersion coefficients are in agreement with the available relativistic many-body perturbation theory calculations. The contribution from the core was included by using constrained sum rules involving the core polarizability and Hartree-Fock expectation values to estimate the f-value distribution

Exact Solutions of Fragmentation Equations with General Fragmentation Rates and Separable Particles Distribution Kernels

Directory of Open Access Journals (Sweden)

S. C. Oukouomi Noutchie

2014-01-01

Full Text Available We make use of Laplace transform techniques and the method of characteristics to solve fragmentation equations explicitly. Our result is a breakthrough in the analysis of pure fragmentation equations as this is the first instance where an exact solution is provided for the fragmentation evolution equation with general fragmentation rates. This paper is the key for resolving most of the open problems in fragmentation theory including “shattering” and the sudden appearance of infinitely many particles in some systems with initial finite particles number.

Land fragmentation and production diversification

NARCIS (Netherlands)

Ciaian, Pavel; Guri, Fatmir; Rajcaniova, Miroslava; Drabik, Dusan; Paloma, Sergio Gomez Y.

2018-01-01

We analyze the impact of land fragmentation on production diversification in rural Albania. Albania represents a particularly interesting case for studying land fragmentation as the fragmentation is a direct outcome of land reforms. The results indicate that land fragmentation is an important driver

Emission of fragments in heavy ion-collisions at Fermi energy; Modes de production des fragments dans les collisions d'ions lourds aux energies intermediaires

Energy Technology Data Exchange (ETDEWEB)

Normand, J

2001-10-01

The study of reaction mechanisms in Fermi energy domain has shown the dominant binary character of the process. The two heavy sources produced after the first stage of the interaction (the quasi-projectile QP and the quasi-target QT) can experience various decay modes from evaporation to multifragmentation. However, the presence of light fragments at mid rapidity cannot be explained by the standard decay of the QP and the QT. To understand the mechanisms producing such a contribution, the break-up of the QP has been studied on the following systems: Xe+Sn from 25 to 50 MeV/A, Ta+Au and Ta+U at 33, 39.6 MeV/A and U+U at 24 MeV/A. The experiment has been performed at GANIL with the INDRA multidetector. The particular behaviour of the heaviest fragment and the correlation between the charge and the velocity of the fragments suggest a shape deformation followed by the rupture of a neck formed in between the two partners of the collision. The heaviest fragment could be the reminiscence of the projectile. A method based on the angular distribution of the heaviest fragment has allowed to separate the statistical break-up of the QP and the non equilibrated break-up. The statistical break-up ranges from 30 % to 75 % of the break-ups. The comparison of the statistical component with a statistical model gives information about the charge, the angular momentum and the temperature of the QP. The comparison of the non equilibrated component with dynamical models could give information about the parameters of the nuclear interaction in medium. (author)

Characterization of Tumor-Avid Antibody Fragments Genetically Engineered for Mono-Specific Radionuclide Chelation

International Nuclear Information System (INIS)

Quinn, T.P.

2003-01-01

The successful clinical application of targeted-radiopharmaceuticals depends on the development of molecules that optimize tumor specific radionuclide deposition and minimize non-specific organ irradiation. To this end, this proposal outlines a research effort to identify and evaluate novel antibodies and antibody fragments that bind breast tumors. The tumor-avid antibodies will be investigated for as imaging and therapeutic agents and to gain a better understanding of the pharmacokinetics and metabolism of radiolabeled tumor-avid antibody fragments through the use of site-specifically labeled molecules. Antibodies or antibody fragments, that bind breast carcinoma carbohydrate antigens, will be obtained from hybridoma or bacteriophage library screening. More specifically, antibody fragments that bind the carcinoma-associated Thomsen-Friedenreich (T) antigen will be radiolabeled with 99m Tc and 188 Re at a natural amino acid chelation site and will be investigated in vivo for their abilities to target human breast tumors. In addition, site-specific radiolabeled antibody fragments will be biosynthesized using misacylated suppressor tRNAs. Homogeneously radiolabeled populations of antibody fragments will be used to investigate the effects of radionuclide location and chelation chemistries on their biodistribution and metabolism. It is hypothesized that site-specifically radiolabeled antibody fragments will possess enhanced tumor imaging and therapeutic properties due to optimal label location and conjugation chemistries. New insights into the factors that govern antibody metabolism in vivo are also expected from this work. Results from these studies should enhance our ability to design and synthesize radiolabeled antibody fragments that have improved pharmacokinetic properties. The studies in this proposal involve basic research into the development of antibody-based radiopharmaceuticals, with the ultimate goal of application in humans. This type of basic nuclear

Evaluation of neutron nuclear data for 243Am

International Nuclear Information System (INIS)

Igarasi, Sin-iti; Nakagawa, Tsuneo

1977-06-01

Evaluation of neutron nuclear data for 243 Am was performed below 16 MeV. The energy region above 250 eV was separated from the lower region where the resonance parameters were given. Evaluation was made to select suitable resonance parameters, and thermal values of the capture and fission cross sections were obtained with the adopted resonance parameters. An average fission width was assumed to bridge the cross sections at 0.0253 eV and above 250 eV. Using a semi-empirical formula, the fission cross section was reproduced above 250 eV. Optical and statistical model calculations were made in order to obtain the total, capture, inelastic and elastic scattering, and (n,2n) reaction cross sections. (auth.)

Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of β-Secretase.

Science.gov (United States)

Jordan, John B; Whittington, Douglas A; Bartberger, Michael D; Sickmier, E Allen; Chen, Kui; Cheng, Yuan; Judd, Ted

2016-04-28

Fragment-based drug discovery (FBDD) has become a widely used tool in small-molecule drug discovery efforts. One of the most commonly used biophysical methods in detecting weak binding of fragments is nuclear magnetic resonance (NMR) spectroscopy. In particular, FBDD performed with (19)F NMR-based methods has been shown to provide several advantages over (1)H NMR using traditional magnetization-transfer and/or two-dimensional methods. Here, we demonstrate the utility and power of (19)F-based fragment screening by detailing the identification of a second-site fragment through (19)F NMR screening that binds to a specific pocket of the aspartic acid protease, β-secretase (BACE-1). The identification of this second-site fragment allowed the undertaking of a fragment-linking approach, which ultimately yielded a molecule exhibiting a more than 360-fold increase in potency while maintaining reasonable ligand efficiency and gaining much improved selectivity over cathepsin-D (CatD). X-ray crystallographic studies of the molecules demonstrated that the linked fragments exhibited binding modes consistent with those predicted from the targeted screening approach, through-space NMR data, and molecular modeling.

A simple semi-empirical way of accounting for the contribution of pair production process to the efficiency of Ge detectors

International Nuclear Information System (INIS)

Sudarshan, M.; Singh, R.

1991-01-01

By considering the data for a 38cm 3 Ge(Li) detector from E γ = 319.80 to 2598.80 keV, and for a 68 cm 3 HPGe detector from E γ = 223.430 to 3253.610 keV, it has been demonstrated that the contribution of the pair production process to the full energy peak efficiency (FEPE) of germanium detectors can be quite adequately accounted for in a semi-empirical way. (author)

Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors

Czech Academy of Sciences Publication Activity Database

Dobeš, Petr; Fanfrlík, Jindřich; Řezáč, Jan; Otyepka, M.; Hobza, Pavel

2011-01-01

Roč. 25, č. 3 (2011), s. 223-235 ISSN 0920-654X R&D Projects: GA MŠk LC512; GA ČR GAP208/11/0295 Grant - others:European Social Fund(XE) CZ.1.05/2.1.00/03.0058 Institutional research plan: CEZ:AV0Z40550506 Keywords : CDK2 * semiempirical quantum mechanical method PM6-DH2 * drug design Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.386, year: 2011

Measurement of Fragment Production Cross Sections in the $^{12}$C+$^{12}$C and $^{12}$C+$^{197}$Au Reactions at 62 $A$ MeV for Hadrontherapy and Space Radiation Protection

CERN Document Server

Tropea, S; Agodi, C; Blancato, A A; Bondì, M; Cappuzzello, F; Carbone, D; Cavallaro, M; Cirrone, G A P; Cuttone, G; Giacoppo, F; Nicolosi, D; Pandola, L; Raciti, G; Rapisarda, E; Romano, F; Sardina, D; Scuderi, V; Sfienti, C

2014-01-01

Over the last twenty years, there has been a renewed interest in nuclear fragmentation studies for both hadrontherapy applications and space radiation protection. In both fields, fragmentation cross sections are needed to predict the effects of the ions nuclear interactions within the patient’s and the astronaut’s body. Indeed, the Monte Carlo codes used in planning tumor treatments and space missions must be tuned and validated by experimental data. However, only a limited set of fragmentation cross sections are available in literature, especially at Fermi energies. Therefore, we have studied the production of secondary fragments in the 12 C+ 12 C and 12 C+ 197 Au reactions at 62 A MeV. In this work, the measured 4 He cross sections angular distributions at four selected angles are presented and compared.

Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies.

Science.gov (United States)

Kutchukian, Peter S; Wassermann, Anne Mai; Lindvall, Mika K; Wright, S Kirk; Ottl, Johannes; Jacob, Jaison; Scheufler, Clemens; Marzinzik, Andreas; Brooijmans, Natasja; Glick, Meir

2015-06-01

A first step in fragment-based drug discovery (FBDD) often entails a fragment-based screen (FBS) to identify fragment "hits." However, the integration of conflicting results from orthogonal screens remains a challenge. Here we present a meta-analysis of 35 fragment-based campaigns at Novartis, which employed a generic 1400-fragment library against diverse target families using various biophysical and biochemical techniques. By statistically interrogating the multidimensional FBS data, we sought to investigate three questions: (1) What makes a fragment amenable for FBS? (2) How do hits from different fragment screening technologies and target classes compare with each other? (3) What is the best way to pair FBS assay technologies? In doing so, we identified substructures that were privileged for specific target classes, as well as fragments that were privileged for authentic activity against many targets. We also revealed some of the discrepancies between technologies. Finally, we uncovered a simple rule of thumb in screening strategy: when choosing two technologies for a campaign, pairing a biochemical and biophysical screen tends to yield the greatest coverage of authentic hits. © 2014 Society for Laboratory Automation and Screening.

Flow of nucleons and fragments in 40Ar+27Al collisions studied with antisymmetrized molecular dynamics

International Nuclear Information System (INIS)

Ono, A.; Horiuchi, H.

1995-01-01

Collective transverse momentum flow of nucleons and fragments in intermediate energy 40 Ar+ 27 Al collisions is calculated with the antisymmetrized molecular dynamics (AMD). The observed flow and its balance energy are reproduced well by calculation with the Gogny force which corresponds to the soft equation of state (EOS) of nuclear matter. The calculated absolute value of the fragment flow is larger than that of the nucleon flow in the negative flow region, which can be explained by the existence of two components of flow. In addition to many similarities, the difference in the deuteron flow is found between 12 C+ 12 C and 40 Ar+ 27 Al collisions, and its origin is investigated by studying the production mechanism of light fragments. We also investigate the dependence of the flow of nucleons and fragments on the stochastic collision cross section and the effective interaction, and conclude that the stiff EOS without momentum dependence of the mean field is not consistent with the experimental data

Dynamics of process at the final stage of nuclear fission

International Nuclear Information System (INIS)

Koljari, I.G.; Mavlitov, N.D.

2005-01-01

Numerous experimental data show, that the final stage of nuclear fission near to a scission point plays an essential role at formation of characteristics of fission products. At the description of a final stage of fission there is a number of problems: Definition of the form of the nuclear near the scission point and definition forms of a fission fragments; The account of dynamic processes in compound nuclear directly before of fission. The condition of the quasistatic al adiabatic process - dS/dt=0 - is applied in a point of transition from the uniform compound nuclei to several forms for definition of generalized coordinates and speeds. Calculation of dependence of post neutrons from nuclear mass of fission fragments for reactions is α+ 83 Bi 209 → 85 At 213 (E lab = 45 MeV); α+ 92 U 242 → 94 Pu 242 (E lab = 45 MeV); 8 O 18 + 79 Au 197 → 97 Fr 215 (E lab = 159 MeV). System of equations, which describes behaviour of system in a point of nuclear fission-transition from the uniform form to system of a two (and, probably more) fission fragments is given. The system of the equations allows in a fission point to define the generalized coordinates, and the generalized speeds for each of the generalized coordinates of collective deformation variables

Statistical view on nuclear multifragmentation: Primary decays

International Nuclear Information System (INIS)

Raduta, A.H.; Raduta, A.R.

1997-01-01

An overall view on the universe of primary decays appearing in the process of nuclear multifragmentation via a microcanonical Monte Carlo Metropolis type simulation is given. General characteristics like mass and charge distributions, relative probabilities of evaporation, fission, fragmentation and vaporization, average number of fragments and distributions of a number of intermediate mass fragments offer valuable information about the intimacy of the process. The capability of the model to describe unitary very different breakup regimes is pointed out. Predictions for charge distributions, isotopic yields, and fission mass distributions are compared with experimental data. copyright 1997 The American Physical Society

Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

Energy Technology Data Exchange (ETDEWEB)

Hartman, Joshua D.; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu [Department of Chemistry, University of California, Riverside, California 92521 (United States); Monaco, Stephen; Schatschneider, Bohdan [The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456 (United States)

2015-09-14

We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

Fragment-based drug design.

Science.gov (United States)

Feyfant, Eric; Cross, Jason B; Paris, Kevin; Tsao, Désirée H H

2011-01-01

Fragment-based drug design (FBDD), which is comprised of both fragment screening and the use of fragment hits to design leads, began more than 15 years ago and has been steadily gaining in popularity and utility. Its origin lies on the fact that the coverage of chemical space and the binding efficiency of hits are directly related to the size of the compounds screened. Nevertheless, FBDD still faces challenges, among them developing fragment screening libraries that ensure optimal coverage of chemical space, physical properties and chemical tractability. Fragment screening also requires sensitive assays, often biophysical in nature, to detect weak binders. In this chapter we will introduce the technologies used to address these challenges and outline the experimental advantages that make FBDD one of the most popular new hit-to-lead process.

Fragment informatics and computational fragment-based drug design: an overview and update.

Science.gov (United States)

Sheng, Chunquan; Zhang, Wannian

2013-05-01

Fragment-based drug design (FBDD) is a promising approach for the discovery and optimization of lead compounds. Despite its successes, FBDD also faces some internal limitations and challenges. FBDD requires a high quality of target protein and good solubility of fragments. Biophysical techniques for fragment screening necessitate expensive detection equipment and the strategies for evolving fragment hits to leads remain to be improved. Regardless, FBDD is necessary for investigating larger chemical space and can be applied to challenging biological targets. In this scenario, cheminformatics and computational chemistry can be used as alternative approaches that can significantly improve the efficiency and success rate of lead discovery and optimization. Cheminformatics and computational tools assist FBDD in a very flexible manner. Computational FBDD can be used independently or in parallel with experimental FBDD for efficiently generating and optimizing leads. Computational FBDD can also be integrated into each step of experimental FBDD and help to play a synergistic role by maximizing its performance. This review will provide critical analysis of the complementarity between computational and experimental FBDD and highlight recent advances in new algorithms and successful examples of their applications. In particular, fragment-based cheminformatics tools, high-throughput fragment docking, and fragment-based de novo drug design will provide the focus of this review. We will also discuss the advantages and limitations of different methods and the trends in new developments that should inspire future research. © 2012 Wiley Periodicals, Inc.

Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of {sup 235}U

Energy Technology Data Exchange (ETDEWEB)

Montoya, M.; Rojas, J. [Instituto Peruano de Energia Nuclear, Av. Canada 1470, Lima 41 (Peru); Saettone, E. [Facultad de Ciencias, Universidad Nacional de lngenieria, Av. Tupac Amaru 210, Apartado 31-139, Lima (Peru)

2007-07-01

The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of {sup 235}U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution ({sigma}{sub e}(m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

Semi-empirical master curve concept describing the rate capability of lithium insertion electrodes

Science.gov (United States)

Heubner, C.; Seeba, J.; Liebmann, T.; Nickol, A.; Börner, S.; Fritsch, M.; Nikolowski, K.; Wolter, M.; Schneider, M.; Michaelis, A.

2018-03-01

A simple semi-empirical master curve concept, describing the rate capability of porous insertion electrodes for lithium-ion batteries, is proposed. The model is based on the evaluation of the time constants of lithium diffusion in the liquid electrolyte and the solid active material. This theoretical approach is successfully verified by comprehensive experimental investigations of the rate capability of a large number of porous insertion electrodes with various active materials and design parameters. It turns out, that the rate capability of all investigated electrodes follows a simple master curve governed by the time constant of the rate limiting process. We demonstrate that the master curve concept can be used to determine optimum design criteria meeting specific requirements in terms of maximum gravimetric capacity for a desired rate capability. The model further reveals practical limits of the electrode design, attesting the empirically well-known and inevitable tradeoff between energy and power density.

Degradation of Perfluorinated Ether Lubricants on Pure Aluminum Surfaces: Semiempirical Quantum Chemical Modeling

Science.gov (United States)

Slaby, Scott M.; Ewing, David W.; Zehe, Michael J.

1997-01-01

The AM1 semiempirical quantum chemical method was used to model the interaction of perfluoroethers with aluminum surfaces. Perfluorodimethoxymethane and perfluorodimethyl ether were studied interacting with aluminum surfaces, which were modeled by a five-atom cluster and a nine-atom cluster. Interactions were studied for edge (high index) sites and top (low index) sites of the clusters. Both dissociative binding and nondissociative binding were found, with dissociative binding being stronger. The two different ethers bound and dissociated on the clusters in different ways: perfluorodimethoxymethane through its oxygen atoms, but perfluorodimethyl ether through its fluorine atoms. The acetal linkage of perfluorodimeth-oxymethane was the key structural feature of this molecule in its binding and dissociation on the aluminum surface models. The high-index sites of the clusters caused the dissociation of both ethers. These results are consistent with the experimental observation that perfluorinated ethers decompose in contact with sputtered aluminum surfaces.

Semiempirical theory of 10B NCT

International Nuclear Information System (INIS)

Borisov, G.I.; Kondratenko, R.I.

2006-01-01

Theory is based upon the characteristic of spatial distribution of slow neutrons in irradiated object named the effective mass. Effective mass can be measured in experiments with liquid phantom, target for slow neutrons field measurements and prompt gamma-ray spectrometer. Mathematical apparatus of this theory is a number of algebraic equations with evident physical sense. These equations set connection between atomic and nuclear data characterizing dose forming reactions and their products, achieved preparations concentrations, geometrical, spectral and dose characteristics of therapeutic neutron beams. Theory allows calculation of following values as a function of preparations concentrations: partial contents of nuclear reactions and adsorbed dose; mean number of nuclear reactions in one cell, depending on its size, in the maximum of slow neutrons spatial distribution; spectral and dose characteristics of therapeutic beams, depending on their sizes; neutron flux densities, depending upon desired absorbed dose in the maximum of spatial distribution. Calculation and measurement results are given on therapeutic neutron beam for 10 B NCT, formed by thin hydrogen scatterer set in horizontal experimental channel IR-8 RRC 'Kurchatov institute' beside the reactor core. (author)

Assessment of fragment projection hazard: probability distributions for the initial direction of fragments.

Science.gov (United States)

Tugnoli, Alessandro; Gubinelli, Gianfilippo; Landucci, Gabriele; Cozzani, Valerio

2014-08-30

The evaluation of the initial direction and velocity of the fragments generated in the fragmentation of a vessel due to internal pressure is an important information in the assessment of damage caused by fragments, in particular within the quantitative risk assessment (QRA) of chemical and process plants. In the present study an approach is proposed to the identification and validation of probability density functions (pdfs) for the initial direction of the fragments. A detailed review of a large number of past accidents provided the background information for the validation procedure. A specific method was developed for the validation of the proposed pdfs. Validated pdfs were obtained for both the vertical and horizontal angles of projection and for the initial velocity of the fragments. Copyright © 2014 Elsevier B.V. All rights reserved.

Target-fragment angular distributions for the interaction of 86 MeV/A 12C with 197Au

International Nuclear Information System (INIS)

Kraus, R.H. Jr.; Loveland, W.; McGaughey, P.L.; Seaborg, G.T.; Morita, Y.; Hageboe, E.; Haldorsen, I.R.; Sugihara, T.T.

1985-01-01

Target-fragment angular distributions were measured using radiochemical techniques for 69 different fragments (44 12 C with 197 Au. The angular distributions in the laboratory system are forward-peaked with some distributions also showing a backward peaking. The shapes of the laboratory system distributions were compared with the predictions of the nuclear firestreak model. The measured angular distributions differed markedly from the predictions of the firestreak model in most cases. This discrepancy could be due, in part, to overestimation of the transferred longitudinal momentum by the firestreak model, the assumption of isotropic angular distributions for fission and particle emission in the moving frame and incorrect assumptions about how the lightest (A 145) fragment distributions were symmetric about 90 0 . (orig.)

Validation of ASTEC v2.0 corium jet fragmentation model using FARO experiments

International Nuclear Information System (INIS)

Hermsmeyer, S.; Pla, P.; Sangiorgi, M.

2015-01-01

Highlights: • Model validation base extended to six FARO experiments. • Focus on the calculation of the fragmented particle diameter. • Capability and limits of the ASTEC fragmentation model. • Sensitivity analysis of model outputs. - Abstract: ASTEC is an integral code for the prediction of Severe Accidents in Nuclear Power Plants. As such, it needs to cover all physical processes that could occur during accident progression, yet keeping its models simple enough for the ensemble to stay manageable and produce results within an acceptable time. The present paper is concerned with the validation of the Corium jet fragmentation model of ASTEC v2.0 rev3 by means of a selection of six experiments carried out within the FARO facility. The different conditions applied within these six experiments help to analyse the model behaviour in different situations and to expose model limits. In addition to comparing model outputs with experimental measurements, sensitivity analyses are applied to investigate the model. Results of the paper are (i) validation runs, accompanied by an identification of situations where the implemented fragmentation model does not match the experiments well, and discussion of results; (ii) its special attention to the models calculating the diameter of fragmented particles, the identification of a fault in one model implemented, and the discussion of simplification and ad hoc modification to improve the model fit; and, (iii) an investigation of the sensitivity of predictions towards inputs and parameters. In this way, the paper offers a thorough investigation of the merit and limitation of the fragmentation model used in ASTEC

Knowledge-based Fragment Binding Prediction

Science.gov (United States)

Tang, Grace W.; Altman, Russ B.

2014-01-01

Target-based drug discovery must assess many drug-like compounds for potential activity. Focusing on low-molecular-weight compounds (fragments) can dramatically reduce the chemical search space. However, approaches for determining protein-fragment interactions have limitations. Experimental assays are time-consuming, expensive, and not always applicable. At the same time, computational approaches using physics-based methods have limited accuracy. With increasing high-resolution structural data for protein-ligand complexes, there is now an opportunity for data-driven approaches to fragment binding prediction. We present FragFEATURE, a machine learning approach to predict small molecule fragments preferred by a target protein structure. We first create a knowledge base of protein structural environments annotated with the small molecule substructures they bind. These substructures have low-molecular weight and serve as a proxy for fragments. FragFEATURE then compares the structural environments within a target protein to those in the knowledge base to retrieve statistically preferred fragments. It merges information across diverse ligands with shared substructures to generate predictions. Our results demonstrate FragFEATURE's ability to rediscover fragments corresponding to the ligand bound with 74% precision and 82% recall on average. For many protein targets, it identifies high scoring fragments that are substructures of known inhibitors. FragFEATURE thus predicts fragments that can serve as inputs to fragment-based drug design or serve as refinement criteria for creating target-specific compound libraries for experimental or computational screening. PMID:24762971

Study of the shape of fragmentation events in central collisions

International Nuclear Information System (INIS)

Nguyen, A.D.; Durand, D.; Bocage, F.; Bougault, R.; Brou, R.; Colin, J; Cussol, D.; Genouin-Duhamel, E.; Gulminelli, F.; Lecolley, J.F.; Lefort, T.; Le Neindre, N.; Lopez, O.; Louvel, M.; Peter, J.; Steckmeyer, J.C.; Tamain, B.; Vient, E.

1997-01-01

The study of the most central collisions resulting in the fragmentation of nuclear systems requires a precise as highly possible knowledge of the space-time configuration of matter. Particularly, it is important to be able to define the event shapes in order to estimate the equilibrium degree reached by the system in the moment of its breakup. To do that, an tensor analysis was developed end applied to data from INDRA for the system Xe + Sn at 50 MeV/u. The obtained results were compared with the predictions of the SIMON generator. The analysis indicates a quasi-sphericity of the fragmentation source. This result is a convincing evidence in favor of formation of a highly excited system in equilibrium the life-time of which is long enough to relax the shape degrees of freedom as well as the internal freedom degrees. A comparison between the experimental results corresponding to the Xe + Sn central collisions at 50 MeV/u and the predictions of a SIMON calculation for different shapes of the fragmenting source is presented as a function of the variables D and C, which are linear combinations of the eigenvalues of the tensor of the moments used for characterisation of the event shape

New semi-empirical formula for α-decay half-lives of the heavy and superheavy nuclei

Energy Technology Data Exchange (ETDEWEB)

Manjunatha, H.C. [Government College for Women, Department of Physics, Kolar, Karnataka (India); Sridhar, K.N. [Government First Grade College, Department of Physics, Kolar, Karnataka (India)

2017-07-15

We have succesfully formulated the semi-empirical formula for α-decay half-lives of heavy and superheavy nuclei for different isotopes of the wide atomic-number range 94 < Z < 136. We have considered 2627 isotopes of heavy and superheavy nuclei for the fitting. The value produced by the present formula is compared with that of experiments and other eleven models, i.e. ImSahu, Sahu, Royer10, VS2, UNIV2, SemFIS2, WKB. Sahu16, Densov, VSS and Royer formula. This formula is exclusively for heavy and superheavy nuclei. α-decay is one of the dominant decay mode of superheavy nucleus. By identifying the α-decay mode superheavy nuclei can be detected. This formula helps in predicting the α-decay chains of superheavy nuclei. (orig.)

Breakup of spectator residues in relativistic nuclear collisions

International Nuclear Information System (INIS)

Warwick, A.I.; Wieman, H.H.; Gutbrod, H.H.

1983-01-01

Low energy nuclear fragments (12 4 He, and 20 Ne projectiles are measured to yield information on the breakup of the target nucleus. We discuss the shapes of the fragment energy spectra across this broad range of fragment mass and pick out the fission component by its binary breakup. Multiplicities of coincident fast charged particles are presented as a measure of the degree of violence of the initial stage of the collision. Angular distributions of light fragments (8< or =Z< or =11) give the average velocities imparted to the residue in central collisions, and these values are compared to the results of cascade calculations. Measurements of slow fragment multiplicities from central events reveal a many-fragment final state. In the light of this finding we develop a simple calculation of the Coulomb features of the observed spectra. The applicability of a statistical breakup model is discussed

Fragmentation in the branching coral Acropora palmata (Lamarck): growth, survivorship, and reproduction of colonies and fragments.

Science.gov (United States)

Lirman

2000-08-23

Acropora palmata, a branching coral abundant on shallow reef environments throughout the Caribbean, is susceptible to physical disturbance caused by storms. Accordingly, the survivorship and propagation of this species are tied to its capability to recover after fragmentation. Fragments of A. palmata comprised 40% of ramets within populations that had experienced recent storms. While the survivorship of A. palmata fragments was not directly related to the size of fragments, removal of fragments from areas where they settled was influenced by size. Survivorship of fragments was also affected by type of substratum; the greatest mortality (58% loss within the first month) was observed on sand, whereas fragments placed on top of live colonies of A. palmata fused to the underlying tissue and did not experience any losses. Fragments created by Hurricane Andrew on a Florida reef in August 1992 began developing new growth (proto-branches) 7 months after the storm. The number of proto-branches on fragments was dependent on size, but growth was not affected by the size of fragments. Growth-rates of proto-branches increased exponentially with time (1.7 cm year(-1) for 1993-1994, 2.7 cm year(-1) for 1994-1995, 4.2 cm year(-1) for 1995-1996, and 6.5 cm year(-1) for 1996-1997), taking over 4 years for proto-branches to achieve rates comparable to those of adult colonies on the same reef (6.9 cm year(-1)). In addition to the initial mortality and reduced growth-rates, fragmentation resulted in a loss of reproductive potential. Neither colonies that experienced severe fragmentation nor fragments contained gametes until 4 years after the initial damage. Although A. palmata may survive periodic fragmentation, the long-term effects of this process will depend ultimately on the balance between the benefits and costs of this process.

Dynamical and statistical bimodality in nuclear fragmentation

Science.gov (United States)

Mallik, S.; Chaudhuri, G.; Gulminelli, F.

2018-02-01

The origin of bimodal behavior in the residue distribution experimentally measured in heavy ion reactions is reexamined using Boltzmann-Uehling-Uhlenbeck simulations. We suggest that, depending on the incident energy and impact parameter of the reaction, both entrance channel and exit channel effects can be at the origin of the observed behavior. Specifically, fluctuations in the reaction mechanism induced by fluctuations in the collision rate, as well as thermal bimodality directly linked to the nuclear liquid-gas phase transition, are observed in our simulations. Both phenomenologies were previously proposed in the literature but presented as incompatible and contradictory interpretations of the experimental measurements. These results indicate that heavy ion collisions at intermediate energies can be viewed as a powerful tool to study both bifurcations induced by out-of-equilibrium critical phenomena, as well as finite-size precursors of thermal phase transitions.

Plasminogen fragments K 1-3 and K 5 bind to different sites in fibrin fragment DD.

Science.gov (United States)

Grinenko, T V; Kapustianenko, L G; Yatsenko, T A; Yusova, O I; Rybachuk, V N

2016-01-01

Specific plasminogen-binding sites of fibrin molecule are located in Аα148-160 regions of C-terminal domains. Plasminogen interaction with these sites initiates the activation process of proenzyme and subsequent fibrin lysis. In this study we investigated the binding of plasminogen fragments K 1-3 and K 5 with fibrin fragment DD and their effect on Glu-plasminogen interaction with DD. It was shown that the level of Glu-plasminogen binding to fibrin fragment DD is decreased by 50-60% in the presence of K 1-3 and K 5. Fragments K 1-3 and K 5 have high affinity to fibrin fragment DD (Kd is 0.02 for K 1-3 and 0.054 μМ for K 5). K 5 interaction is independent and K 1-3 is partly dependent on C-terminal lysine residues. K 1-3 interacts with complex of fragment DD-immobilized K 5 as well as K 5 with complex of fragment DD-immobilized K 1-3. The plasminogen fragments do not displace each other from binding sites located in fibrin fragment DD, but can compete for the interaction. The results indicate that fibrin fragment DD contains different binding sites for plasminogen kringle fragments K 1-3 and K 5, which can be located close to each other. The role of amino acid residues of fibrin molecule Аα148-160 region in interaction with fragments K 1-3 and K 5 is discussed.

"1"2C fragmentation on thin targets at 95 MeV/A study for hadrontherapy

International Nuclear Information System (INIS)

Dudouet, Jeremie

2014-01-01

The nuclear models need to be improved in order to reach the required accuracy for a reference simulation code for hadrontherapy. In this context, two experiments have been performed by our collaboration on May 2011 and September 2013 at GANIL to study nuclear reactions of 95 MeV/u "1"2C ions on thin targets of medical interest to measure the double differential fragmentation cross sections of each produced isotope. These experimental data have been compared with Monte-Carlo simulations. Different nuclear models provided by the GEANT4 simulation toolkit have firstly been tested. These simulations revealed discrepancies up to one order of magnitude. The phenomenological model HIPSE has then been used and has shown that the overlapping region of two colliding nuclei needs to be taken into account in order to reproduce the kinematics of the emitted fragments at intermediates energies. Due to the difficulties encountered by these models in the data reproduction, a new model is currently under development: SLIIPIE. This one is a semi-microscopic model, built from a participant-spectator geometrical approach. This model was also compared to the experimental data for "1"2C+"1"2C reactions at 95 MeV/A giving promising results. (author) [fr

Fractal statistics of brittle fragmentation

Directory of Open Access Journals (Sweden)

M. Davydova

2013-04-01

Full Text Available The study of fragmentation statistics of brittle materials that includes four types of experiments is presented. Data processing of the fragmentation of glass plates under quasi-static loading and the fragmentation of quartz cylindrical rods under dynamic loading shows that the size distribution of fragments (spatial quantity is fractal and can be described by a power law. The original experimental technique allows us to measure, apart from the spatial quantity, the temporal quantity - the size of time interval between the impulses of the light reflected from the newly created surfaces. The analysis of distributions of spatial (fragment size and temporal (time interval quantities provides evidence of obeying scaling laws, which suggests the possibility of self-organized criticality in fragmentation.

Experiments on the nuclear fragmentation and on the production of radioactive beams for direct reactions

International Nuclear Information System (INIS)

Weiss, A.

1993-06-01

In April 1992 at the GSI a prototype experiment on the production and study of the double-magic radioactive nucleus 56 Ni was successfully performed with proton scattering in inverse kinematics. A 350 MeV/u 56 Ni primary beam from the heavy ion synchrotron SIS was fragmented in a 4/g/cm 2 thick beryllium target. The separation of the formed isotopes ensued in the fragment separator FRS, which was operated in the achromatic mode with a degrader. Production cross sections for a whole series of fragments in the range 29≥Z≥19 and 57≥A≥41 were obtained. It succeeded to detect proton-rich isotopes at the boundary of the stability as for instance 52 Co, 51 Co, 50 Co, or 52 Ni and to determine for the first time their production cross sections. A further part of this thesis with regard to experiments with radioactive beams were first test experiments at the experimental storage ring ESR. The spotlight held luminosity measurements at the internal gas target with cooled, stable proton beam. For this the elastic scattering was stuided in inverse kinematics in the Rutherford range. Studied were different projectile beams (Ne, Xe) at energies of 150 MeV/u respectively 250 MeV/u and gas jets of nitrogen, argon, and hydrogen. The measured energy spectra of the recoils are in agreement with simulation calculations

Seventy-five years of nuclear fission

Indian Academy of Sciences (India)

technology can play such a vital role in a nation's development subsequently motivated ... fragments with a broad mass distribution is a unique nuclear phenomenon ... low energy and spontaneous fission of actinide nuclei and how these ...

Singly and Doubly Charged Projectile Fragments in Nucleus-Emulsion Collisions at Dubna Energy in the Framework of the Multi-Source Model

International Nuclear Information System (INIS)

Er-Qin, Wang; Fu-Hu, Liu; Jian-Xin, Sun; Rahim, Magda A.; Fakhraddin, S.

2011-01-01

The multiplicity distributions of projectile fragments emitted in interactions of different nuclei with emulsion are studied by using a multi-source model. Our calculated results show that the projectile fragments can be described by the model and each source contributes an exponential distribution. As the weighted sum of the folding result of many exponential distributions, a multi-component Erlang distribution is used to describe the experimental data. The relationship between the height (or width) of the distribution and the mass of the incident projectile, as well as the dependence of projectile fragments on target groups, are investigated too. (nuclear physics)

a Semi-Empirical Topographic Correction Model for Multi-Source Satellite Images

Science.gov (United States)

Xiao, Sa; Tian, Xinpeng; Liu, Qiang; Wen, Jianguang; Ma, Yushuang; Song, Zhenwei

2018-04-01

Topographic correction of surface reflectance in rugged terrain areas is the prerequisite for the quantitative application of remote sensing in mountainous areas. Physics-based radiative transfer model can be applied to correct the topographic effect and accurately retrieve the reflectance of the slope surface from high quality satellite image such as Landsat8 OLI. However, as more and more images data available from various of sensors, some times we can not get the accurate sensor calibration parameters and atmosphere conditions which are needed in the physics-based topographic correction model. This paper proposed a semi-empirical atmosphere and topographic corrction model for muti-source satellite images without accurate calibration parameters.Based on this model we can get the topographic corrected surface reflectance from DN data, and we tested and verified this model with image data from Chinese satellite HJ and GF. The result shows that the correlation factor was reduced almost 85 % for near infrared bands and the classification overall accuracy of classification increased 14 % after correction for HJ. The reflectance difference of slope face the sun and face away the sun have reduced after correction.

Spent fuel waste form characteristics: Grain and fragment size statistical dependence for dissolution response

International Nuclear Information System (INIS)

Stout, R.B.; Leider, H.; Weed, H.; Nguyen, S.; McKenzie, W.; Prussin, S.; Wilson, C.N.; Gray, W.J.

1991-04-01

The Yucca Mountain Project of the US Department of Energy is investigating the suitability of the unsaturated zone at Yucca Mountain, NV, for a high-level nuclear waste repository. All of the nuclear waste will be enclosed in a container package. Most of the nuclear waste will be in the form of fractured UO 2 spent fuel pellets in Zircaloy-clad rods from electric power reactors. If failure of both the container and its enclosed clad rods occurs, then the fragments of the fractured UO 2 spent fuel will be exposed to their surroundings. Even though the surroundings are an unsaturated zone, a possibility of water transport exists, and consequently, UO 2 spent fuel dissolution may occur. A repository requirement imposes a limit on the nuclide release per year during a 10,000 year period; thus the short term dissolution response from fragmented fuel pellet surfaces in any given year must be understood. This requirement necessitates that both experimental and analytical activities be directed toward predicting the relatively short term dissolution response of UO 2 spent fuel. The short term dissolution response involves gap nuclides, grain boundary nuclides, and grain volume nuclides. Analytical expressions are developed that describe the combined geometrical influences of grain boundary nuclides and grain volume nuclides on the dissolution rate of spent fuel. 7 refs., 1 fig

Chameleon fragmentation

Energy Technology Data Exchange (ETDEWEB)

Brax, Philippe [Institut de Physique Théorique, CEA, IPhT, CNRS, URA 2306, F-91191Gif/Yvette Cedex (France); Upadhye, Amol, E-mail: philippe.brax@cea.fr, E-mail: aupadhye@anl.gov [Institute for the Early Universe, Ewha University, International Education, Building #601, 11-1, Daehyun-Dong Seodaemun-Gu, Seoul 120-750 (Korea, Republic of)

2014-02-01

A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ{sup 4} and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments.

Chameleon fragmentation

International Nuclear Information System (INIS)

Brax, Philippe; Upadhye, Amol

2014-01-01

A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ 4 and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments

About dynamic model of limiting fragmentation of heavy nuclei

International Nuclear Information System (INIS)

Kuchin, I.A.

2001-01-01

Full text: As is known, during last years defined progress in understanding of static aspect of a dynamic structure organization of massive nuclei was reached. The offered model of a 'crystalline' structure of the nucleus generalizes drop, shell and cluster models in a natural way. Now increased interest induces the phenomenon of limiting fragmentation of heavy nuclei. There is a hope, that clearing up the general regularities of a soft disintegration of the massive nuclei on nucleons, component it, in a broad range of high energies can give a valuable information about dynamics of origin of nuclear structures and nature of their qualitative difference from a quark system structure, i.e. from nucleons. The key for understanding the indicated phenomenon can be it's study in connection with other aspects of disintegration of the nuclei - Coulomb and diffraction dissociation, fission etc. The sequential analysis of all these a processes from a single point of view is possible only within the framework of results and methods of the dynamic system theory. The purpose of the present research is clearing up a possibility to understand the nature of limiting fragmentation as a consequence of development of dynamic instability in a system of the nuclei as a result of ions interaction at high energy. In the analysis we based on data of the phenomenological analysis of heavy ion interactions at ultra-relativistic energies obtained by many authors for a number of years. As a result we came to a conclusion about general stochastic nature of an investigated phenomenon. In it development the fragmentation passes three different stages. On the first there is a process of preparation of chaos at a quantum level in an outcome of a Coulomb dissociation of the approaching nuclei and isotopic recharge of their nucleons, carrying a random character. A dominant here - viscous dissociation of nuclei under an operation of Coulomb forces. (A two body initial state). Then the multiparticle

A semi-empirical formula for total cross sections of electron scattering from diatomic molecules

International Nuclear Information System (INIS)

Liu Yufang; Sun Jinfeng; Henan Normal Univ., Xinxiang

1996-01-01

A fitting formula based on the Born approximation is used to fit the total cross sections for electron scattering by diatomic molecules (CO, N 2 , NO, O 2 and HCl) in the intermediate- and high-energy range. By analyzing the fitted parameters and the total cross sections, we found that the internuclear distance of the constituent atoms plays an important role in the e-diatomic molecule collision process. Thus a new semi-empirical formula has been obtained. There is no free parameter in the formula, and the dependence of the total cross sections on the internuclear distance has been reflected clearly. The total cross sections for electron scattering by CO, N 2 , NO, O 2 and HCl have been calculated over an incident energy range of 10-4000 eV. The results agree well with other available experimental and calculation data. (orig.)

Semi-Empirical Predictions on the Structure and Properties of ent-Kaurenoic Acid and Derivatives

Directory of Open Access Journals (Sweden)

Jose Isagani B. Janairo

2011-01-01

Full Text Available The physicochemical properties of ent- kaurenoic acid model derivatives, which possibly influence its therapeutic application, were calculated. Results revealed that the molecule possess favourable attributes which renders it possible to be considered as a drug lead only that its very hydrophobic nature can result to poor bioavailabilty, low absorption and poor systemic circulation. In silico simulations revealed that this setback can be overcome by introduction of hydroxyl group to the tertiary carbon of ent-kaurenoic acid employing m-CPBA catalyzed hydroxylation, thus, unleashing its full drug potency. Moreover, molecular similarity analyses derived from semi-empirical calculations between ent-kaurenoic acid and a set of kaurane diterpenoids showed differences in hydrophobic complementarity, size and electronic properties despite possessing nearly identical molecular frameworks, thus, arriving in a generalization for their observed mechanistic differences on acting on different targets.

Fission profits of thorium: Distribution in charge and mass

International Nuclear Information System (INIS)

Guarnieri, A.A.

1985-01-01

It is presented the improvement of a semi-empiric model to describe behavior fo the 235 U + thermal neutrons system. The model is applied to fission of the 232 Th case reproducing the distribution of mass profits of fission products from the behavior of independent profits of fragments related the mass and charge, and the emission of prompt neutrons per fragment. (M.C.K.) [pt

A new fission-fragment detector to complement the CACTUS-SiRi setup at the Oslo Cyclotron Laboratory

Energy Technology Data Exchange (ETDEWEB)

Tornyi, T.G., E-mail: tornyitom@atomki.hu [Department of Physics, University of Oslo (Norway); Institute of Nuclear Research of the Hungarian Academy of Sciences (MTA Atomki), Debrecen (Hungary); Görgen, A.; Guttormsen, M.; Larsen, A.C.; Siem, S. [Department of Physics, University of Oslo (Norway); Krasznahorkay, A. [Institute of Nuclear Research of the Hungarian Academy of Sciences (MTA Atomki), Debrecen (Hungary); Csige, L. [Institute of Nuclear Research of the Hungarian Academy of Sciences (MTA Atomki), Debrecen (Hungary); Max-Planck-Institute for Quantum Optics, D-85748 Garching (Germany)

2014-02-21

An array of Parallel Plate Avalanche Counters (PPAC) for the detection of heavy ions has been developed. The new device, NIFF (Nuclear Instrument for Fission Fragments), consists of four individual detectors and covers 60% of 2π. It was designed to be used in conjunction with the SiRi array of ΔE−E silicon telescopes for light charged particles and fits into the CACTUS array of 28 large-volume NaI scintillation detectors at the Oslo Cyclotron Laboratory. The low-pressure gas-filled PPACs are sensitive for the detection of fission fragments, but are insensitive to scattered beam particles of light ions or light-ion ejectiles. The PPAC detectors of NIFF have good time resolution and can be used either to select or to veto fission events in in-beam experiments with light-ion beams and actinide targets. The powerful combination of SiRi, CACTUS, and NIFF provides new research opportunities for the study of nuclear structure and nuclear reactions in the actinide region. The new setup is particularly well suited to study the competition of fission and γ decay as a function of excitation energy.

GFP expression by intracellular gene delivery of GFP-coding fragments using nanocrystal quantum dots

International Nuclear Information System (INIS)

Hoshino, Akiyoshi; Manabe, Noriyoshi; Fujioka, Kouki; Hanada, Sanshiro; Yamamoto, Kenji; Yasuhara, Masato; Kondo, Akihiko

2008-01-01

Gene therapy is an attractive approach to supplement a deficient gene function. Although there has been some success with specific gene delivery using various methods including viral vectors and liposomes, most of these methods have a limited efficiency or also carry a risk for oncogenesis. We herein report that quantum dots (QDs) conjugated with nuclear localizing signal peptides (NLSP) successfully introduced gene-fragments with promoter elements, which promoted the expression of the enhanced green fluorescent protein (eGFP) gene in mammalian cells. The expression of eGFP protein was observed when the QD/gene-construct was added to the culture media. The gene-expression efficiency varied depending on multiple factors around QDs, such as (1) the reading direction of the gene-fragments, (2) the quantity of gene-fragments attached on the surface of the QD-constructs, (3) the surface electronic charges varied according to the structure of the QD/gene-constructs, and (4) the particle size of QD/gene complex varied according to the structure and amounts of gene-fragments. Using this QD/gene-construct system, eGFP protein could be detected 28 days after the gene-introduction whereas the fluorescence of QDs had disappeared. This system therefore provides another method for the intracellular delivery of gene-fragments without using either viral vectors or specific liposomes.

Effects of Neutron Emission on Fragment Mass and Kinetic Energy Distribution from Thermal Neutron-Induced Fission of 235U

International Nuclear Information System (INIS)

Montoya, M.; Rojas, J.; Saetone, E.

2007-01-01

The mass and kinetic energy distribution of nuclear fragments from thermal neutron-induced fission of 235 U(n th ,f) have been studied using a Monte-Carlo simulation. Besides reproducing the pronounced broadening in the standard deviation of the kinetic energy at the final fragment mass number around m = 109, our simulation also produces a second broadening around m = 125. These results are in good agreement with the experimental data obtained by Belhafaf et al. and other results on yield of mass. We conclude that the obtained results are a consequence of the characteristics of the neutron emission, the sharp variation in the primary fragment kinetic energy and mass yield curves. We show that because neutron emission is hazardous to make any conclusion on primary quantities distribution of fragments from experimental results on final quantities distributions

RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium.

Directory of Open Access Journals (Sweden)

José Diogo L Dutra

Full Text Available The RM1 model for the lanthanides is parameterized for complexes of the trications of lanthanum, cerium, and praseodymium. The semiempirical quantum chemical model core stands for the [Xe]4fn electronic configuration, with n =0,1,2 for La(III, Ce(III, and Pr(III, respectively. In addition, the valence shell is described by three electrons in a set of 5d, 6s, and 6p orbitals. Results indicate that the present model is more accurate than the previous sparkle models, although these are still very good methods provided the ligands only possess oxygen or nitrogen atoms directly coordinated to the lanthanide ion. For all other different types of coordination, the present RM1 model for the lanthanides is much superior and must definitely be used. Overall, the accuracy of the model is of the order of 0.07Å for La(III and Pr(III, and 0.08Å for Ce(III for lanthanide-ligand atom distances which lie mostly around the 2.3Å to 2.6Å interval, implying an error around 3% only.

Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.

Science.gov (United States)

Kutchukian, Peter S; So, Sung-Sau; Fischer, Christian; Waller, Chris L

2015-01-01

Fragment based screening (FBS) has emerged as a mainstream lead discovery strategy in academia, biotechnology start-ups, and large pharma. As a prerequisite of FBS, a structurally diverse library of fragments is desirable in order to identify chemical matter that will interact with the range of diverse target classes that are prosecuted in contemporary screening campaigns. In addition, it is also desirable to offer synthetically amenable starting points to increase the probability of a successful fragment evolution through medicinal chemistry. Herein we describe a method to identify biologically relevant chemical substructures that are missing from an existing fragment library (chemical gaps), and organize these chemical gaps hierarchically so that medicinal chemists can efficiently navigate the prioritized chemical space and subsequently select purchasable fragments for inclusion in an enhanced fragment library.

Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

Directory of Open Access Journals (Sweden)

A. V. Sulimov

2017-01-01

Full Text Available Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

Science.gov (United States)

Sulimov, A V; Kutov, D C; Katkova, E V; Sulimov, V B

2017-01-01

Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

Quark mobility in extended nuclear matter

International Nuclear Information System (INIS)

Sivers, D.

1988-01-01

The propagation of an energetic quark through extended nuclear matter is analyzed in terms of a simple model in which localization of color is imposed through chromoelectric flux tubes. A mobile quark in the nuclear medium creates a disturbance which affects neighboring nucleons. The model suggests that the spatial properties of the disturbance involve a competition among different dynamical mechanisms. Experimental measurements involving the target fragmentation region in deep-inelastic leptoproduction on large nuclei may help specify some of the important features of nuclear dynamics. copyright 1988 Academic Press, Inc

Universality of projectile fragmentation model

International Nuclear Information System (INIS)

Chaudhuri, G.; Mallik, S.; Das Gupta, S.

2012-01-01

Presently projectile fragmentation reaction is an important area of research as it is used for the production of radioactive ion beams. In this work, the recently developed projectile fragmentation model with an universal temperature profile is used for studying the charge distributions of different projectile fragmentation reactions with different projectile target combinations at different incident energies. The model for projectile fragmentation consists of three stages: (i) abrasion, (ii) multifragmentation and (iii) evaporation

Benchmarking nuclear models of FLUKA and GEANT4 for carbon ion therapy

CERN Document Server

Bohlen, TT; Quesada, J M; Bohlen, T T; Cerutti, F; Gudowska, I; Ferrari, A; Mairani, A

2010-01-01

As carbon ions, at therapeutic energies, penetrate tissue, they undergo inelastic nuclear reactions and give rise to significant yields of secondary fragment fluences. Therefore, an accurate prediction of these fluences resulting from the primary carbon interactions is necessary in the patient's body in order to precisely simulate the spatial dose distribution and the resulting biological effect. In this paper, the performance of nuclear fragmentation models of the Monte Carlo transport codes, FLUKA and GEANT4, in tissue-like media and for an energy regime relevant for therapeutic carbon ions is investigated. The ability of these Monte Carlo codes to reproduce experimental data of charge-changing cross sections and integral and differential yields of secondary charged fragments is evaluated. For the fragment yields, the main focus is on the consideration of experimental approximations and uncertainties such as the energy measurement by time-of-flight. For GEANT4, the hadronic models G4BinaryLightIonReaction a...

Semi-empirical modelling of radiation exposure of humans to naturally occurring radioactive materials in a goldmine in Ghana

International Nuclear Information System (INIS)

Darko, E. O.; Tetteh, G.K.; Akaho, E.H.K.

2005-01-01

A semi-empirical analytical model has been developed and used to assess the radiation doses to workers in a gold mine in Ghana. The gamma dose rates from naturally occurring radioactive materials (uranium-thorium series, potassium-40 and radon concentrations) were related to the annual effective doses for surface and underground mining operations. The calculated effective doses were verified by comparison with field measurements and correlation ratios of 0.94 and 0.93 were obtained, respectively, between calculated and measured data of surface and underground mining. The results agreed with the approved international levels for normal radiation exposure in the mining environment. (au)

Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

Science.gov (United States)

Khandelwal, Govind S.; Khan, Ferdous

1989-01-01

An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.