Multi Scale Study of Self-irradiation Effects in Plutonium Alloys

2008 ◽  
Vol 1104 ◽  
Author(s):  
Lilian Berlu ◽  
Gaëlle Rosa ◽  
Gérald Jomard
Keyword(s):  
Monte Carlo ◽  
Molecular Dynamic ◽  
Ion Irradiation ◽  
Great Influence ◽  
Main Idea ◽  
High Energy ◽  
Structural Defects ◽  
Computational Time ◽  
Multi Scale ◽  
Defect Microstructures

AbstractExperimental measurements have shown that plutonium alloys exhibit changes of their macroscopic as well as microscopic properties. For example, a swelling of plutonium alloys was observed with aging with dilatometry and X-ray diffraction. The main idea to explain these changes rises in self irradiation undergoing by those materials. Plutonium α decay is at the origin of displacements cascades creating a large amount of structural defects. These later by anihilation and recombination give rise to larger defects such as voids and clusters. The aim of this work is to study the occurrence of such phenomena combining ab-initio, molecular dynamic and Monte Carlo methods in a coherent multi-scale approach which would help to understand long term behavior of structural defects and consequences of self irradiation. We show that plutonium does not seem to behave like other metals under ion irradiation. We discuss results obtained for high energy displacements cascade simulations. After parametric study of displacements cascade simulations combining temperature and cascade energy has been exposed, superposition of low energies displacements cascades is discussed as a method to construct realistic defect microstructures and to reach a rational use of computational time. At the end, we will present results of preliminary Monte Carlo simulations based on our molecular dynamic data which show that the spatial correlation of the stable defects populations created by the cascades seems to have a great influence on the predicted swelling.

Channeling Study of the Damage Induced in Ion-Irradiated Ceramic Oxides

2003 ◽  
Vol 792 ◽  
Author(s):  
Lionel Thomé ◽  
Aurélie Gentils ◽  
Frédérico Garrido ◽  
Jacek Jagielski
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Single Crystals ◽  
Depth Distribution ◽  
Ion Irradiation ◽  
High Energy ◽  
Low Energy ◽  
Ceramic Oxides ◽  
Slowing Down ◽  
Crystalline Ceramic

ABSTRACTThe evaluation of the damage generated in crystalline ceramic oxides placed in a radiative environment is a major challenge in many technological domains. The use of the channeling technique is particularly well adapted to measure the depth distribution of the irradiation-induced disorder and to monitor the damage build-up. This paper describes the methodology used for the study of radiation damage with the channeling technique, presents a new method of analysis of channeling data based on Monte-Carlo simulations and provides recent results concerning the damage induced in ion-bombarded ceramic oxide single crystals in both nuclear (low-energy ion irradiation) and electronic (high-energy ion irradiation) slowing-down regimes.

Electron and ion irradiation-induced dissolution of mechanical twins in the intermetalic U3Si: An in situ HVEM study

1989 ◽  
Vol 47 ◽  
pp. 652-653
Author(s):  
Charles W. Allen ◽  
Robert C. Birtcher
Keyword(s):  
Elevated Temperatures ◽  
Ion Irradiation ◽  
Ion Beam ◽  
National Laboratory ◽  
Argonne National Laboratory ◽  
Heavy Ion ◽  
High Energy ◽  
Mechanical Twinning ◽  
In Situ Experiments

The uranium silicides, including U3Si, are under study as candidate low enrichment nuclear fuels. Ion beam simulations of the in-reactor behavior of such materials are performed because a similar damage structure can be produced in hours by energetic heavy ions which requires years in actual reactor tests. This contribution treats one aspect of the microstructural behavior of U3Si under high energy electron irradiation and low dose energetic heavy ion irradiation and is based on in situ experiments, performed at the HVEM-Tandem User Facility at Argonne National Laboratory. This Facility interfaces a 2 MV Tandem ion accelerator and a 0.6 MV ion implanter to a 1.2 MeV AEI high voltage electron microscope, which allows a wide variety of in situ ion beam experiments to be performed with simultaneous irradiation and electron microscopy or diffraction.At elevated temperatures, U3Si exhibits the ordered AuCu3 structure. On cooling below 1058 K, the intermetallic transforms, evidently martensitically, to a body-centered tetragonal structure (alternatively, the structure may be described as face-centered tetragonal, which would be fcc except for a 1 pet tetragonal distortion). Mechanical twinning accompanies the transformation; however, diferences between electron diffraction patterns from twinned and non-twinned martensite plates could not be distinguished.

Monte Carlo Modelling of Secondary Electron Yield from Rough Surfaces

1990 ◽  
Vol 48 (1) ◽  
pp. 422-423
Author(s):  
John C. Russ
Keyword(s):  
Monte Carlo ◽  
Energy Loss ◽  
Secondary Electron ◽  
Secondary Electron Emission ◽  
Analytical Calculation ◽  
Mean Free Path ◽  
Single Scattering ◽  
High Energy ◽  
Secondary Electron Yield ◽  
Electron Yield

Monte-Carlo programs are well recognized for their ability to model electron beam interactions with samples, and to incorporate boundary conditions such as compositional or surface variations which are difficult to handle analytically. This success has been especially powerful for modelling X-ray emission and the backscattering of high energy electrons. Secondary electron emission has proven to be somewhat more difficult, since the diffusion of the generated secondaries to the surface is strongly geometry dependent, and requires analytical calculations as well as material parameters. Modelling of secondary electron yield within a Monte-Carlo framework has been done using multiple scattering programs, but is not readily adapted to the moderately complex geometries associated with samples such as microelectronic devices, etc.This paper reports results using a different approach in which simplifying assumptions are made to permit direct and easy estimation of the secondary electron signal from samples of arbitrary complexity. The single-scattering program which performs the basic Monte-Carlo simulation (and is also used for backscattered electron and EBIC simulation) allows multiple regions to be defined within the sample, each with boundaries formed by a polygon of any number of sides. Each region may be given any elemental composition in atomic percent. In addition to the regions comprising the primary structure of the sample, a series of thin regions are defined along the surface(s) in which the total energy loss of the primary electrons is summed. This energy loss is assumed to be proportional to the generated secondary electron signal which would be emitted from the sample. The only adjustable variable is the thickness of the region, which plays the same role as the mean free path of the secondary electrons in an analytical calculation. This is treated as an empirical factor, similar in many respects to the λ and ε parameters in the Joy model.

Transmission Electron Microscopy characterization of epitaxial III-V semiconductor thin films grown on Si(100) by ion-assisted deposition

1990 ◽  
Vol 48 (4) ◽  
pp. 686-687
Author(s):  
L. Hultman ◽  
C.-H. Choi ◽  
R. Kaspi ◽  
R. Ai ◽  
S.A. Barnett
Keyword(s):  
Electron Microscopy ◽  
Transmission Electron Microscopy ◽  
Ion Irradiation ◽  
High Energy ◽  
Nucleation Mechanism ◽  
Layer By Layer ◽  
Extended Defect ◽  
Island Formation ◽  
Si Substrates ◽  
Transmission Electron

III-V semiconductor films nucleate by the Stranski-Krastanov (SK) mechanism on Si substrates. Many of the extended defects present in the films are believed to result from the island formation and coalescence stage of SK growth. We have recently shown that low (-30 eV) energy, high flux (4 ions per deposited atom), Ar ion irradiation during nucleation of III-V semiconductors on Si substrates prolongs the 1ayer-by-layer stage of SK nucleation, leading to a decrease in extended defect densities. Furthermore, the epitaxial temperature was reduced by >100°C due to ion irradiation. The effect of ion bombardment on the nucleation mechanism was explained as being due to ion-induced dissociation of three-dimensional islands and ion-enhanced surface diffusion.For the case of InAs grown at 380°C on Si(100) (11% lattice mismatch), where island formation is expected after ≤ 1 monolayer (ML) during molecular beam epitaxy (MBE), in-situ reflection high-energy electron diffraction (RHEED) showed that 28 eV Ar ion irradiation prolonged the layer-by-layer stage of SK nucleation up to 10 ML. Otherion energies maintained layer-by-layer growth to lesser thicknesses. The ion-induced change in nucleation mechanism resulted in smoother surfaces and improved the crystalline perfection of thicker films as shown by transmission electron microscopy and X-ray rocking curve studies.

Neutron dose evaluation of Elekta Linac at two energies (10 & 18 MV) by MCNP code and comparison with experimental measurements

2014 ◽  
Vol 6 (1) ◽  
pp. 1006-1015
Author(s):  
Negin Shagholi ◽  
Hassan Ali ◽  
Mahdi Sadeghi ◽  
Arjang Shahvar ◽  
Hoda Darestani ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Measurement Data ◽  
Calculated Data ◽  
High Energy ◽  
Neutron Dose ◽  
Dose Assessment ◽  
Photon Flux ◽  
Dose Equivalent ◽  
Monte Carlo Techniques ◽  
Neutron Dose Equivalent

Medical linear accelerators, besides the clinically high energy electron and photon beams, produce other secondary particles such as neutrons which escalate the delivered dose. In this study the neutron dose at 10 and 18MV Elekta linac was obtained by using TLD600 and TLD700 as well as Monte Carlo simulation. For neutron dose assessment in 2020 cm2 field, TLDs were calibrated at first. Gamma calibration was performed with 10 and 18 MV linac and neutron calibration was done with 241Am-Be neutron source. For simulation, MCNPX code was used then calculated neutron dose equivalent was compared with measurement data. Neutron dose equivalent at 18 MV was measured by using TLDs on the phantom surface and depths of 1, 2, 3.3, 4, 5 and 6 cm. Neutron dose at depths of less than 3.3cm was zero and maximized at the depth of 4 cm (44.39 mSvGy-1), whereas calculation resulted  in the maximum of 2.32 mSvGy-1 at the same depth. Neutron dose at 10 MV was measured by using TLDs on the phantom surface and depths of 1, 2, 2.5, 3.3, 4 and 5 cm. No photoneutron dose was observed at depths of less than 3.3cm and the maximum was at 4cm equal to 5.44mSvGy-1, however, the calculated data showed the maximum of 0.077mSvGy-1 at the same depth. The comparison between measured photo neutron dose and calculated data along the beam axis in different depths, shows that the measurement data were much more than the calculated data, so it seems that TLD600 and TLD700 pairs are not suitable dosimeters for neutron dosimetry in linac central axis due to high photon flux, whereas MCNPX Monte Carlo techniques still remain a valuable tool for photonuclear dose studies.

scholarly journals Ion tracks in silicon formed by much lower energy deposition than the track formation threshold

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
H. Amekura ◽  
M. Toulemonde ◽  
K. Narumi ◽  
R. Li ◽  
A. Chiba ◽  
...  
Keyword(s):  
Nuclear Energy ◽  
Energy Deposition ◽  
Ion Irradiation ◽  
High Energy ◽  
Electronic Energy ◽  
Synergy Effect ◽  
Ion Tracks ◽  
Track Formation ◽  
Low Energies ◽  
High Energy Ions

AbstractDamaged regions of cylindrical shapes called ion tracks, typically in nano-meters wide and tens micro-meters long, are formed along the ion trajectories in many insulators, when high energy ions in the electronic stopping regime are injected. In most cases, the ion tracks were assumed as consequences of dense electronic energy deposition from the high energy ions, except some cases where the synergy effect with the nuclear energy deposition plays an important role. In crystalline Si (c-Si), no tracks have been observed with any monomer ions up to GeV. Tracks are formed in c-Si under 40 MeV fullerene (C60) cluster ion irradiation, which provides much higher energy deposition than monomer ions. The track diameter decreases with decreasing the ion energy until they disappear at an extrapolated value of ~ 17 MeV. However, here we report the track formation of 10 nm in diameter under C60 ion irradiation of 6 MeV, i.e., much lower than the extrapolated threshold. The diameters of 10 nm were comparable to those under 40 MeV C60 irradiation. Furthermore, the tracks formed by 6 MeV C60 irradiation consisted of damaged crystalline, while those formed by 40 MeV C60 irradiation were amorphous. The track formation was observed down to 1 MeV and probably lower with decreasing the track diameters. The track lengths were much shorter than those expected from the drop of Se below the threshold. These track formations at such low energies cannot be explained by the conventional purely electronic energy deposition mechanism, indicating another origin, e.g., the synergy effect between the electronic and nuclear energy depositions, or dual transitions of transient melting and boiling.

Structural change by high-energy ion irradiation and post-annealing in EuBa2Cu3Oy

2002 ◽  
Vol 378-381 ◽  
pp. 527-530 ◽  
Author(s):  
H Sato ◽  
N Ishikawa ◽  
A Iwase ◽  
Y Chimi ◽  
T Hashimoto ◽  
...  
Keyword(s):  
Structural Change ◽  
Ion Irradiation ◽  
High Energy ◽  
Post Annealing

scholarly journals Development of Solid–Fluid Reaction Models—A Literature Review

2021 ◽  
Vol 5 (3) ◽  
pp. 36
Author(s):  
Leilei Dong ◽  
Italo Mazzarino ◽  
Alessio Alexiadis
Keyword(s):  
Process Design ◽  
Feasibility Studies ◽  
Time Frame ◽  
Physicochemical Process ◽  
Computational Time ◽  
Comprehensive Review ◽  
Multi Scale ◽  
Reaction Models ◽  
Feasible Solutions ◽  
Further Development

A comprehensive review is carried out on the models and correlations for solid/fluid reactions that result from a complex multi-scale physicochemical process. A simulation of this process with CFD requires various complicated submodels and significant computational time, which often makes it undesirable and impractical in many industrial activities requiring a quick solution within a limited time frame, such as new product/process design, feasibility studies, and the evaluation or optimization of the existing processes, etc. In these circumstances, the existing models and correlations developed in the last few decades are of significant relevance and become a useful simulation tool. However, despite the increasing research interests in this area in the last thirty years, there is no comprehensive review available. This paper is thus motivated to review the models developed so far, as well as provide the selection guidance for model and correlations for the specific application to help engineers and researchers choose the most appropriate model for feasible solutions. Therefore, this review is also of practical relevance to professionals who need to perform engineering design or simulation work. The areas needing further development in solid–fluid reaction modelling are also identified and discussed.

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