Academic literature on the topic 'Actinides – Structure'
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Journal articles on the topic "Actinides – Structure"
Saha, Saumitra, and Udo Becker. "A first principles study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation." Radiochimica Acta 106, no. 1 (January 26, 2018): 1–13. http://dx.doi.org/10.1515/ract-2016-2732.
Full textNadykto, B. A. "Electronic structure of actinides." Journal of Nuclear Science and Technology 39, sup3 (November 2002): 221–24. http://dx.doi.org/10.1080/00223131.2002.10875449.
Full textLaatiaoui, Mustapha, and Sebastian Raeder. "New Developments in the Production and Research of Actinide Elements." Atoms 10, no. 2 (June 8, 2022): 61. http://dx.doi.org/10.3390/atoms10020061.
Full textKwon, Youngjin, Hee-Kyung Kim, and Keunhong Jeong. "Assessment of Various Density Functional Theory Methods for Finding Accurate Structures of Actinide Complexes." Molecules 27, no. 5 (February 23, 2022): 1500. http://dx.doi.org/10.3390/molecules27051500.
Full textSilva, Ricardo F., Jorge M. Sampaio, Pedro Amaro, Andreas Flörs, Gabriel Martínez-Pinedo, and José P. Marques. "Structure Calculations in Nd III and U III Relevant for Kilonovae Modelling." Atoms 10, no. 1 (February 7, 2022): 18. http://dx.doi.org/10.3390/atoms10010018.
Full textKovács, Attila. "Theoretical Study of Complexes of Tetravalent Actinides with DOTA." Symmetry 14, no. 11 (November 18, 2022): 2451. http://dx.doi.org/10.3390/sym14112451.
Full textBai, Li Jun, Ping Qian, Yao Wen Hu, and Jiu Li Liu. "Atomistic Study on the Structure and Thermodynamic Properties of Afe2al10 (A = Th, U)." Advanced Materials Research 261-263 (May 2011): 735–39. http://dx.doi.org/10.4028/www.scientific.net/amr.261-263.735.
Full textLivshits, Tatiana, Sergey Yudintsev, Sergey V. Stefanovsky, and Rodney Charles Ewing. "New Actinide Waste Forms with Pyrochlore and Garnet Structures." Advances in Science and Technology 73 (October 2010): 142–47. http://dx.doi.org/10.4028/www.scientific.net/ast.73.142.
Full textBlock, Michael. "Direct mass measurements and ionization potential measurements of the actinides." Radiochimica Acta 107, no. 9-11 (September 25, 2019): 821–31. http://dx.doi.org/10.1515/ract-2019-3143.
Full textPETIT-MAIRE, D., J. PETIAU, G. CALAS, and N. JACQUET-FRANCILLON. "LOCAL STRUCTURE AROUND ACTINIDES IN BOROSILICATE GLASSES." Le Journal de Physique Colloques 47, no. C8 (December 1986): C8–849—C8–852. http://dx.doi.org/10.1051/jphyscol:19868163.
Full textDissertations / Theses on the topic "Actinides – Structure"
Hilaire, Sandrine. "Etude de la stabilisation des hauts degrés d'oxydation des actinides." Paris 11, 2005. http://www.theses.fr/2005PA112031.
Full textEarly actinides (U, Np, Pu, Am) in a high oxidation state show a particular linear structure in bonding with pi-donor ligands (O, NR,. . . ). The diminution of the charge on the metallic centre due to the electronic donation from the equatorial and axial ligands allow the existence of high oxidation states for the light actinide. The particularity of the actinide stands in the fact that An 5f orbitals can take part in chemical bonding because of a partial delocalisation. In order to understand this behaviour, a study of the electronic and the geometric structure is undertaken using both theorical and experimental approaches : - Modelling of geometry and IR vibrational frequencies of compounds with formula AnO2L2n+(H2O)3 (An= U(VI) 5f0, Np(V) 5f2, Np(VI) 5f1 and Np(VII) 5f°, L=CI-, Br-, F-, CO32- and OH-) were performed by the density functional theory (DFT) using Gaussian and ADF software. Bond population and molecular orbitals composition were essentially studied. - Hydroxide, carbonate and oxalate of Neptunium (+V) and (+VI) were synthesized with the aim to study the electronic properties by different experimental way: magnetism susceptibility (SQUID), Mossbauer, XPS measurements and vibrationals spectroscopy's. - Uranium studies are focused on the water free compounds UO2Cl2(THF)3, UO2(OPPh3)4(Otf)2 and UO2(OTf)2, exhibiting more covalent bonds in the equatorial plane
O'Brien, Kieran. "Electronic structure and bonding in pyrrolic macrocycle-supported complexes of actinides." Thesis, University of Manchester, 2018. https://www.research.manchester.ac.uk/portal/en/theses/electronic-structure-and-bonding-in-pyrrolic-macrocyclesupported-complexes-of-actinides(9c8ab96e-0e0d-4cca-aaa2-ef30102fbcc2).html.
Full textYe, Gaoyang. "Thermodynamic and structural investigations on the interactions between actinides and phosphonate-based ligands." Thesis, Université Paris-Saclay (ComUE), 2018. http://www.theses.fr/2018SACLS286/document.
Full textFor exposed person who suffers from contamination from nuclear accidents (Chernobyl, Fukushima) or depleted uranium in war zones, decontamination is required to reduce the sequence damage of radionuclide intake. After an external or internal contamination, the solubilized actinides could be distributed to the target organs (skeletal, liver, kidneys tissues, etc.) via the bloodstream. Considering the dispersion, fate and health effect of the actinides, chelation therapy is an effective decorporation method to promote the excretion of deposited actinides to reduce the health risk. Due to the defect on weak distribution rate to the target organs (bone, liver, kidneys) of diethylenetriaminepentaacetic acid (DTPA) which currently used in clinics, plenty chelation agents were synthesized and tested in vitro or in vivo. In this project, several polyaminophosphonates ligands, a series ligand originally designed for MRI contrast and SPECT agents, were synthesized according to the properties of ligand bio-distribution, functional groups, coordination site and lipophilic. Then the structural and thermodynamic studies were done with the complexes between metal ion such as uranium(VI) and europium(III) (as americium/curium(III) analogue), and polyaminophosphonates ligands. The sphere of coordination of these cations was observed by UV-visible spectroscopy, TRLFS, FT-IR and Extended X-Ray Absorption Fine Structure (EXAFS). The affinity study was done with UV-visible spectroscopy. Finally, the UV-visible spectroscopy and TRLFS were used to test the stability of uranyl ligand complex with competition metal ion in biological conditions and to reveal the interactions between the ternary system, uranyl ion/ligand/calmodulin. These results allow to better understand the chemical affinity and possible chelation mechanism of the polyaminophosphonates ligands for the above actinides and therefore to promote the design of new chelation agents
Kervazo, Sophie. "Computational actinide chemistry : structure, bonding and thermodynamics." Thesis, Lille 1, 2018. http://www.theses.fr/2018LIL1R042/document.
Full textThe main question of this thesis is: do we have today the tools to efficiently describe the structure, the bonding and the thermodynamics of actinide systems? This broad question is answered thanks to three studies. The first two are directly applied to the plastic industry and the nuclear plant safety. The last one, more fundamental, concerns the benchmarking of newly developed theoretical approach on f-element systems.First, actinides and transition metal arene-coordinated alkyl cations have been recently proven to be efficient catalysts for ethylene polymerizations. Interestingly, thorium, uranium and zirconium alkyl cations’ catalytic activity depends on the solvent. To understand these behaviors and to confirm the tendency of these complexes to engage in unusual-arene coordination, relativistic DFT calculations combined with a characterization of the interaction thanks to the ETS-NOCV method are used. Second, in accident scenario along the reprocessing of spent nuclear fuel, plutonium can be released in various volatile forms (PuO2, PuO3 or PuO2(OH)2, …). The exploration of these scenarios by the use of simulations requires, among the various parameters, the knowledge of the thermodynamic properties of the possibly formed elements. Our in-silico study focusses on the determination of the enthalpies of formation of the former two species for which experimental uncertainties remain, using multi-configurational relativistic wavefunction method. The last part of the thesis focusses on the benchmark of the B2-PLYP functional for f-element systems, which turns out quite accurate with respect to the experimental data and the gold-standard CCSD(T) method
Gasnier, Estelle. "Etude structurale et propriétés des verres peralumineux de conditionnement des produits de fission et actinides mineurs"." Phd thesis, Université d'Orléans, 2013. http://tel.archives-ouvertes.fr/tel-00965076.
Full textDodane, Catherine. "Dommages d'irradiation dans des céramiques de structure spinelle MGAl2O4 et ZNAl2O4- : application à la transmutation des déchets nucléaires." Paris 11, 2002. http://www.theses.fr/2002PA112013.
Full textThe transmutation of minor actinides in-reactor is one solution currently being studied for the long time management of nuclear waste. In the heterogeneous concept the radionuclides are incorporating in an inert ceramic matrix. The support material must be insensitive to radiation damage. Fission product damage is the main radiation damage source during the transmutation process and therefore it is of the utmost importance to study their effects. We irradiated spinels MgA12O4 (matrix of reference) and ZnAl2O4 by fast ions (by example: (86)Kr of approximately 400MeV) simulating the fission products. Under these conditions, the damage is primarily due to the electronic energy losses (Se). One of the structural features of spinel AB2O4 is that the two cations (A(2+) and B(3+)) can exchange their site. This phenomenon is quantified by the inversion parameter. We highlight by XRD in grazing incidence that the structural changes observed in MgAl2O4 correspond to an order-disorder transition from the cation sub-networks and not to a phase shift as described in the literature. Using other techniques characterizing the space group (Raman spectroscopy) as well as the local order (NMR 27Al, spectroscopy of absorption X with the thresholds K of Al and Zn), we confirm this interpretation. Moreover, for a fluence of 101̂4 ions/cm2̂, the loss of the order at long distance is observed thus meaning a beginning of amorphization of material. The ZnA12O4 spinel presents the same behavior. For this last spinel, an evolution of the inversion parameter according to the stopping power to power 2 was highlighted after irradiation by ions (86)Kr from approximately 20MeV. We illustrate our study by the analysis of the results obtained in XRD of an irradiation out of composite fuel (MgAl2O4 + UO2) called THERMHET
Castro, Ludovic. "Étude théorique de la structure et de la réactivité de complexes de lanthanides et d'actinides : activation de petites molécules." Toulouse 3, 2012. http://thesesups.ups-tlse.fr/1706/.
Full textThis PhD thesis presents a theoretical study of the structure and the reactivity of organometallic complexes of lanthanides and actinides at the DFT level. After a general introduction of the methods of theoretical chemistry used for the modelling of organometallic reactivity, a study of the participation of 5f electrons in uranium(IV) reactivity is presented. The results show that the large core ECP can be used safely in order to treat the actinide and so that 5f electrons can be treated implicitly. Then, the reactivity of uranium(III) complexes with CO2 and other analogous molecules is studied via multiple examples from the literature. These studies show that the steric nature of the ligands is very important and controls the reactivity. This study is then extended to samarium(II) complex. Eventually, the reactivity of a hydride complex of cerium(III) with MeOSO2Me is investigated and theoretical results are compared with experimental observations
Lemonnier, Stéphane. "Synthèse par voie douce d'oxydes polymétalliques incluant des actinides : réactivité et structure de la solution au solide." Paris 6, 2006. http://www.theses.fr/2006PA066056.
Full textLemonnier, Stéphane. "Synthèse par voie douce d'oxydes polymétalliques incluant des actinides : réactivité et structure de la solution au solide /." [Gif-sur-Yvette] : [CEA Saclay, Direction des systèmes d'information], 2007. http://catalogue.bnf.fr/ark:/12148/cb41067551t.
Full textLa couv. et la p. de titre portent en plus : "Direction de l'énergie nucléaire" Bibliogr. p. 122-132. Résumé en français et en anglais.
Lutique, Stéphanie. "Etude de zirconates de structure pyrochlore en tant que matrice pour la transmutation ou le conditionnement des actinides mineurs." Paris 11, 2003. http://www.theses.fr/2003PA112080.
Full textThe "Bataille" law gives orientations for nuclear waste management optimisation, which includes the partitioning of the most radiotoxic elements (the actinides and some fission products) in order to transmute them into less radiotoxic elements or to store for long term. For both applications a matrix with specific criteria is needed to incorporate the radionuclides. The aim of this work was the study of a potential matrix for the transmutation or the storage of actinides after their partitioning: pyrochlore zirconate, which general formula is A2Zr2O7, where A is a lanthanide or a actinide. A fabrication process was developed leading to the production of neodymium zirconate with a density higher than 95 % of the theoretical density. The method of infiltration of active solution in an inactive precursor permitted to incorporate plutonium and uranium and to produce highly dense pellet with pyrochlore structure and general formula Nd(1,57)[Pu/U](0,43)Zr2O(7+y). Using three calorimetric techniques, the lanthanide zirconate heat capacity was measured in the temperature range [0. 4 -1400 K]. The thermal diffusivity of the neodymium zirconate was determined between 400 and 1400 K and its thermal conductivity was deduced in the same temperature range, yielding to the constant value of 1,33 W. M^(-1). S^(-l). Using this value, the thermal behaviour of a zirconate based fuel was numerically simulated. The radiation resistance of the neodymium zirconate was tested using ion implanted with several energy by accelerator in order to simulate fission products and alpha recoil atoms. Finally He ions were implanted in the matrix and their release was monitored using a Knudsen cell. Basis on all those results, it appears that pyrochlore zirconates could be used as inert matrix for the transmutation only as inclusions in composites. However, a complementary study of the compound behaviour against leaching is needed before to be able to conclude concerning it use as waste form for actinides storage
Books on the topic "Actinides – Structure"
Flanders, David John. Structural studies of actinide compounds. [s.l.]: typescript, 1985.
Find full text1927-, Kasuya T., ed. Physical properties of actinide and rare earth compounds: Search for heavy fermion characters. Tokyo, Japan: Publication Office, Japanese Journal of Applied Physics, 1993.
Find full textJr, Darby J. B., J. B. Darby, and A. J. Freeman. Actinides: Electronic Structure and Related Properties. Elsevier Science & Technology Books, 2013.
Find full textFreeman, A. J. Actinides: Electronic Structure and Related Properties. Elsevier Science & Technology Books, 2012.
Find full textActinides-Chemistry and Physical Properties (Structure and Bonding, Vol 59/60). Springer, 1985.
Find full textStructural Chemistry of Inorganic Actinide Compounds. Elsevier, 2007. http://dx.doi.org/10.1016/b978-0-444-52111-8.x5000-5.
Full textPeter, Burns, Sergey Krivovichev, and Ivan Tananaev. Structural Chemistry of Inorganic Actinide Compounds. Elsevier Science & Technology Books, 2006.
Find full text(Editor), Sergey Krivovichev, Peter Burns (Editor), and Ivan Tananaev (Editor), eds. Structural Chemistry of Inorganic Actinide Compounds. Elsevier Science, 2006.
Find full textBook chapters on the topic "Actinides – Structure"
Papaconstantopoulos, Dimitris A. "Actinides." In Handbook of the Band Structure of Elemental Solids, 457–82. Boston, MA: Springer US, 2014. http://dx.doi.org/10.1007/978-1-4419-8264-3_14.
Full textDudarev, S. L., D. Nguyen Manh, and A. P. Sutton. "Electronic Structure and Structural Stability of Uranium Dioxide." In Actinides and the Environment, 113–20. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-017-0615-5_7.
Full textJohansson, Börje. "Electronic Structure of the Actinide Elements." In Actinides and the Environment, 47–96. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-017-0615-5_3.
Full textSalamakha, P. S., and O. L. Sologub. "Synthesis and Crystal Structure of New Quaternary Silicides of Uranium." In Actinides and the Environment, 121–24. Dordrecht: Springer Netherlands, 1998. http://dx.doi.org/10.1007/978-94-017-0615-5_8.
Full textSorace, Lorenzo, and Dante Gatteschi. "Electronic Structure and Magnetic Properties of Lanthanide Molecular Complexes." In Lanthanides and Actinides in Molecular Magnetism, 1–26. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527673476.ch1.
Full textShields, Ashley E. "Advances in Structure Prediction of Lanthanides and Actinides with Genetic Algorithms." In Rare Earth Elements and Actinides: Progress in Computational Science Applications, 157–71. Washington, DC: American Chemical Society, 2021. http://dx.doi.org/10.1021/bk-2021-1388.ch007.
Full textNguyen, Manh-Thuong, Jun Zhang, David C. Cantu, Roger Rousseau, and Vassiliki-Alexandra Glezakou. "Tailored Computational Approaches to Interrogate Heavy Element Chemistry and Structure in Condensed Phase." In Rare Earth Elements and Actinides: Progress in Computational Science Applications, 219–45. Washington, DC: American Chemical Society, 2021. http://dx.doi.org/10.1021/bk-2021-1388.ch011.
Full textPapaconstantopoulos, Dimitrios A. "Actinide Hydrides." In Band Structure of Cubic Hydrides, 601–31. Cham: Springer International Publishing, 2023. http://dx.doi.org/10.1007/978-3-031-06878-2_16.
Full textGutowski, Keith E., Nicholas J. Bridges, and Robin D. Rogers. "Actinide Structural Chemistry." In The Chemistry of the Actinide and Transactinide Elements, 2380–523. Dordrecht: Springer Netherlands, 2010. http://dx.doi.org/10.1007/978-94-007-0211-0_22.
Full textTroć, R. "PuSe: X-ray Absorption Near Edge Structure (XANES)." In Actinide Monochalcogenides, 864–65. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-47043-4_185.
Full textConference papers on the topic "Actinides – Structure"
Delaroche, J. P. "Structure properties of even-even actinides." In FUSION06: Reaction Mechanisms and Nuclear Structure at the Coulomb Barrier. AIP, 2006. http://dx.doi.org/10.1063/1.2338412.
Full textMASLOV, V. M., YU V. PORODZINSKIJ, M. BABA, and A. HASEGAWA. "COLLECTIVE LEVEL STRUCTURE OF EVEN-EVEN ACTINIDES." In Proceedings of the Eleventh International Symposium. WORLD SCIENTIFIC, 2003. http://dx.doi.org/10.1142/9789812795151_0110.
Full textAlbers, R. C. "Actinide electronic structure and atomic forces." In Plutonium futures-The science (Topical conference on Plutonium and actinides). AIP, 2000. http://dx.doi.org/10.1063/1.1292349.
Full textGOUTTE, H., J. F. BERGER, J. P. DELAROCHE, M. GIROD, A. DOBROWOLSKI, and J. LIBERT. "STRUCTURE AND FISSION PROPERTIES OF ACTINIDES WITH THE GOGNY FORCE." In Seminar on Fission VI. WORLD SCIENTIFIC, 2008. http://dx.doi.org/10.1142/9789812791061_0015.
Full textHaddi, Amine, François Farges, Patrick Trocellier, Enzo Curti, Messaoud Harfouche, and Gordon E. Brown. "On the Coordination of Actinides and Fission Products in Silicate Glasses." In X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP, 2007. http://dx.doi.org/10.1063/1.2644493.
Full textBouchet, J. "New Pseudophase Structure for α-Pu." In PLUTONIUM FUTURES - THE SCIENCE: Third Topical Conference on Plutonium and Actinides. AIP, 2003. http://dx.doi.org/10.1063/1.1594578.
Full textDu, Yingzhe, Lili Li, Kunfeng Li, Peng Lin, Yugang Zhang, and Juan Diwu. "Study on the Substitute Nuclides of Actinides in High-Level Radioactive Waste Liquid." In 2022 29th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/icone29-93771.
Full textDemetriou, P., Th Keutgen, R. Prieels, Y. El Masri, Paraskevi Demetriou, Rauno Julin, and Sotirios Harissopulos. "Proton-induced fission of actinides at energies 26.5 and 62.9 MeV—Theoretical interpretation." In FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 3. AIP, 2011. http://dx.doi.org/10.1063/1.3628372.
Full textButterfield, M. T. "Photoemission and Electronic Structure of UCoGa5 and PuCoGa5." In PLUTONIUM FUTURES - THE SCIENCE: Third Topical Conference on Plutonium and Actinides. AIP, 2003. http://dx.doi.org/10.1063/1.1594580.
Full textGuziewicz, E. "USb2 and PuSb2 Electronic Structure: A Photoemission Study." In PLUTONIUM FUTURES - THE SCIENCE: Third Topical Conference on Plutonium and Actinides. AIP, 2003. http://dx.doi.org/10.1063/1.1594585.
Full textReports on the topic "Actinides – Structure"
Marino, Maria, M. and Walter C. Ermler. Reliable Electronic Structure Calculations for Heavy Element Chemistry: Molecules Containing Actinides, Lanthanides, and Transition Metals. Office of Scientific and Technical Information (OSTI), January 2006. http://dx.doi.org/10.2172/875418.
Full textFast, L., and P. Soederlind. Crystal structure of actinide metals at high compression. Office of Scientific and Technical Information (OSTI), August 1995. http://dx.doi.org/10.2172/113969.
Full textCort, B., T. H. Allen, and A. C. Lawson. Structural and magnetic characterization of actinide materials. Office of Scientific and Technical Information (OSTI), December 1998. http://dx.doi.org/10.2172/296813.
Full textKrishnan Balasubramanian. Electronic Structure of Transition Metal Clusters, Actinide Complexes and Their Reactivities. Office of Scientific and Technical Information (OSTI), July 2009. http://dx.doi.org/10.2172/959347.
Full textJ. BERG, C. BURNS, and ET AL. ACTINIDE MOLECULAR SCIENCE: F-ELECTRONIC STRUCTURE IN SYNTHESIS, SPECTROSCOPY, AND COMPUTATION. Office of Scientific and Technical Information (OSTI), November 2000. http://dx.doi.org/10.2172/772849.
Full textSchrell, Samantha K. Exploring the Actinide Series from Periodic Trends to Electronic Structure and Bonding. Office of Scientific and Technical Information (OSTI), October 2018. http://dx.doi.org/10.2172/1477639.
Full textGouder, T., and C. Colmenares. The effect of actinide thin films on the electronic structure and reactivity of various elements. Office of Scientific and Technical Information (OSTI), December 1994. http://dx.doi.org/10.2172/86926.
Full textWills, J. W., and O. Eriksson. Bulk and surface electronic structure of actinide, rare earth, and transition metal elements and compounds. Office of Scientific and Technical Information (OSTI), July 1996. http://dx.doi.org/10.2172/258186.
Full textBuesseler, K. O., M. Dai, and D. J. Repeta. Speciation and structural characterization of Plutonium and Actinide-organic complexes in surface and ground waters (Sept. 1996-Sept. 1999) & Speciation, Mobility and Fate of Actinides in the Groundwater at the Hanford Site (Sept. 1999-Sept. 2002). Office of Scientific and Technical Information (OSTI), June 2000. http://dx.doi.org/10.2172/827049.
Full textBuesseler, K. O., M. Dai, and D. J. Repeta. Speciation and structural characterization of Plutonium and Actinide-organic complexes in surface and ground waters. Office of Scientific and Technical Information (OSTI), June 1999. http://dx.doi.org/10.2172/827047.
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