Correlation of Formation Enthalpies with Critical Amorphization Temperature for Pyrochlore and Monazite

2004 ◽  
Vol 824 ◽  
Author(s):  
K.B. Helean ◽  
A. Navrotsky ◽  
J. Lian ◽  
R.C. Ewing
Keyword(s):  
Single Crystals ◽  
Linear Correlation ◽  
Ion Irradiation ◽  
Ion Beam ◽  
Pyrochlore Structure ◽  
Formation Enthalpy ◽  
Formation Enthalpies ◽  
Positive Linear Correlation ◽  
Cation Radius ◽  
Orthophosphate Crystal

AbstractSystematic studies of a series of RE-titanate pyrochlore single crystals determined the formation enthalpies, ΔH0f-ox, and the critical amorphization temperature, Tc, the temperature above which the crystal can no longer be amorphized. A negative linear correlation was observed between ΔH0f-ox and Tc. In general as the cation radius ratio, RA/RB, decreases the formation enthalpy becomes less exothermic, i.e. the pyrochlore structure becomes less thermodynamically stable while the susceptibilty to ion beam-induced amorphization decreases. The opposite relation, i.e. a positive linear correlation between ΔH0f-ox and Tc was observed for a series of REPO4 single crystals with both the monazite and xenotime structures. Both relations can be understood in terms of pyrochlore and orthophosphate crystal chemistry, their formation of point defects, and the role of ion-irradiation induced phase transformations.

Photoluminescence enhancement and high accuracy patterning of lead halide perovskite single crystals by MeV ion beam irradiation

2020 ◽  
Vol 8 (29) ◽  
pp. 9923-9930 ◽  
Author(s):  
Milan Palei ◽  
M. Motapothula ◽  
Aniruddha Ray ◽  
Ahmed L. Abdelhady ◽  
Luca Lanzano ◽  
...  
Keyword(s):  
Single Crystals ◽  
Ion Irradiation ◽  
Ion Beam ◽  
High Accuracy ◽  
Enhancement Effect ◽  
Beam Irradiation ◽  
Ion Beam Irradiation ◽  
Photoluminescence Enhancement ◽  
Halide Perovskite ◽  
Lead Halide

Using MeV ion irradiation, a PL enhancement effect of MAPbBr3 single crystals is demonstrated.

In sito Ion Beam Analysis of Radiation Damage Kinetics in MgTiO3 Single Crystals at 170-470 K

1995 ◽  
Vol 396 ◽  
Author(s):  
Ning Yu ◽  
Jeremy N. Mitchell ◽  
Kurt E. Sickafus ◽  
Michael Nastasi
Keyword(s):  
Radiation Damage ◽  
Single Crystals ◽  
Ion Irradiation ◽  
Ion Beam ◽  
National Laboratory ◽  
Los Alamos National Laboratory ◽  
Beam Analysis ◽  
Radiation Resistant ◽  
Threshold Doses

AbstractRadiation damage kinetics in synthetic MgTiO3 (geikielite) single crystals have been studied using the in situ ion beam facility at Los Alamos National Laboratory. The geikielite samples were irradiated at temperatures of 170, 300, and 470 K with 400 keV xenon ions and the radiation damage was sequentially measured with Rutherford backscattering using a 2 MeV He ion beam along a channeling direction. Threshold doses of 1 and 5×1015 Xe/cm2 were determined for the crystalline-to-amorphous transformation induced by Xe ion irradiation at 170 and 300 K, respectively. However, geikielite retained its crystallinity up to a dose of 2.5x1016 Xe/cm2 at the irradiation temperature of 470 K. This study has shown that MgTiO3, which has a corundum derivative structure, is another radiation resistant material that has the potential for use in radiation environments.

Ion-Induced Amorphization of Murataite

2002 ◽  
Vol 713 ◽  
Author(s):  
Jie Lian ◽  
Sergey V. Yudintsev ◽  
Sergey V. Stefanovsky ◽  
Olga I. Kirjanova ◽  
Rodney C. Ewing
Keyword(s):  
Ion Irradiation ◽  
Ion Beam ◽  
National Laboratory ◽  
Argonne National Laboratory ◽  
Pyrochlore Structure ◽  
Fluorite Structure ◽  
In Situ Tem ◽  
Cell Parameters ◽  
Unit Cells ◽  
Radiation Resistant

ABSTRACTMurataite A4B2C7O22-x, where A = Na+, Ca2+, REE3+, An3+/4+; B = Mn2+/3+, Zn2+; C = Ti4+, Fe3+, Al3+; 0≤x≤1, is an isometric, derivative of the fluorite-structure. Murataite is potentially suitable as a phase for the immobilization of rare earth (REE) and actinide elements (An). Murataite structures with three-(3C), five-(5C), and eight-fold (8C) multiples of the fluorite unit cell parameters have been identified. Radiation-induced amorphization of murataite has been investigated by 1 MeV Kr+ ion irradiation of three ceramic samples produced by melting in a resistive furnace and a cold crucible at 1400-1600 °C. The 1 MeV Kr+ ion irradiations were performed at room temperature using IVEM-Tandem Facility at Argonne National Laboratory. Radiation damage was observed by in-situ TEM. Initially, the irradiation caused disordering of the murataite structure. Murataite was rendered fully amorphous at a dose of (1.7∼1.9)Á1018 ion/m2. The pyrochlore structure phase (2C) is more radiation resistant to ion irradiation-induced amorphization than the murataite structure. Combining results on murataite with those pyrochlore and fluorite, a generally increasing trend in the susceptibility to ion beam damage is found in the fluorite-related structures as a function of the increasing multiples of the fluorite unit cells.

Heavy Ion Irradiation of Zirconate Pyrochlores

2002 ◽  
Vol 713 ◽  
Author(s):  
J. Lian ◽  
L. M. Wang ◽  
J. Chen ◽  
R. C. Ewing ◽  
K. V. G. Kutty
Keyword(s):  
Ion Irradiation ◽  
Ion Beam ◽  
Amorphous State ◽  
Pyrochlore Structure ◽  
Fluorite Structure ◽  
Heavy Ion ◽  
Ionic Radii ◽  
Radiation Resistant ◽  
A Site ◽  
Nuclear Waste Forms

ABSTRACTZirconate pyrochlores, A2Zr2O7, are important potential nuclear waste forms for Puimmobilization. The binary Gd2(Ti2-xZrx)O7 has been shown to have increasing resistance to ionirradiation damage with the increasing Zr content, and Gd2Zr2O7 is radiation resistant to a 1 MeV Kr+ ion irradiation at 25 K to a dose of 5 dpa. In this study, a 1.5 MeV Xe+ irradiation was completed for zirconate pyrochlores A2Zr2O7 (A=La, Nd, Sm, Gd). The radiation resistance decreases with an increase of the ionic radius of A-site cation. La2Zr2O7 is the first zirconate pyrochlore to be amorphized by ion beam irradiation, and the critical amorphization temperature, Tc, is ∼310 K. The susceptibility of La2Zr2O7 to ion beam damage is related to its structure, which shows the largest deviation from the ideal fluorite structure. These results are also consistent with calculations of the cation antisite formation energy in the pyrochlore structure. The ion irradiation-induced pyrochlore-to-fluorite transformation occurred in all of the irradiated zirconate pyrochlore phases. Based on the results for Gd2Ti2-xZrxO7 and A2Zr2O7, the defect fluorite structures are stable when the ionic radii ratio rA/rB≤1.54; beyond this limit, the defect fluorite structure becomes increasingly unstable relative to the amorphous state.

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.

On the trustability of semi-empirical methods to the calculation of gas phase formation enthalpies of inorganic compounds containing heavy metals: tin borates

2017 ◽  
Author(s):  
Robson de Farias
Keyword(s):  
Heavy Metals ◽  
Gas Phase ◽  
Phase Formation ◽  
Inorganic Compounds ◽  
Formation Enthalpy ◽  
Computational Time ◽  
Gas Formation ◽  
Formation Enthalpies ◽  
Knudsen Effusion Mass Spectrometry ◽  
Semi Empirical

<p>In the present work, are calculated the gas formation enthalpies (SE; PM3 and PM6) for tin borates: SnB<sub>2</sub>O<sub>4</sub><sup> </sup>and Sn<sub>2</sub>B<sub>2</sub>O<sub>5</sub>. The calculated values are compared with experimental ones, obtained by Knudsen effusion mass spectrometry [3]. It is shown that SE methods, besides their lower computational time consuming can, indeed, provide reliable gas phase formation enthalpy values for inorganic compounds containing heavy metals.</p>

scholarly journals Comparison of short-range order in irradiated dysprosium titanates

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Roman Sherrod ◽  
Eric C. O’Quinn ◽  
Igor M. Gussev ◽  
Cale Overstreet ◽  
Joerg Neuefeind ◽  
...  
Keyword(s):  
Long Range ◽  
Short Range ◽  
Structural Model ◽  
Ion Irradiation ◽  
Function Analysis ◽  
Ion Beam ◽  
Structural Response ◽  
Heavy Ion ◽  
Range Order ◽  
Radiation Resistant

AbstractThe structural response of Dy2TiO5 oxide under swift heavy ion irradiation (2.2 GeV Au ions) was studied over a range of structural length scales utilizing neutron total scattering experiments. Refinement of diffraction data confirms that the long-range orthorhombic structure is susceptible to ion beam-induced amorphization with limited crystalline fraction remaining after irradiation to 8 × 1012 ions/cm2. In contrast, the local atomic arrangement, examined through pair distribution function analysis, shows only subtle changes after irradiation and is still described best by the original orthorhombic structural model. A comparison to Dy2Ti2O7 pyrochlore oxide under the same irradiation conditions reveals a different behavior: while the dysprosium titanate pyrochlore is more radiation resistant over the long-range with smaller degree of amorphization as compared to Dy2TiO5, the former involves more local atomic rearrangements, best described by a pyrochlore-to-weberite-type transformation. These results highlight the importance of short-range and medium-range order analysis for a comprehensive description of radiation behavior.

Non-metamict uranoan pyrochlore and uranpyrochlore from tuff near Ndale, Fort Portal area, Uganda

1989 ◽  
Vol 53 (370) ◽  
pp. 257-262 ◽  
Author(s):  
D. D. Hogarth ◽  
J. E. T. Horne
Keyword(s):  
Cell Size ◽  
Linear Correlation ◽  
Metamorphic Rocks ◽  
Portal Area ◽  
Geological Age ◽  
Unit Cells ◽  
Positive Linear Correlation ◽  
Crystalline Nature ◽  
Linear Correlations

AbstractA thin (100 m) cover of flat-lying, Recent, calcite-rich tuff at Ndale near Fort Portal, Uganda, unconformably overlies steeply dipping Precambrian metamorphic rocks. It is locally radioactive owing to uranium-rich pyrochlore minerals and lesser amounts of zircon, monazite, titanite, and an unidentified thorium phosphate. In one concentrate, four grains of uranpyrochlore and one grain of uranoan pyrochlore showed a positive linear correlation of Ti with U, and negative linear correlations of Ti with Na, F and Sr. Ta remained high and relatively constant [11 anal., ave. 14.5 (0.6)% Ta2O5]. In the same concentrate the composition of a separate grain of uranoan pyrochlore did not plot on these lines and Ta was comparatively low [2 anal., ave. 4.5 (0.3)% Ta2O5]. The data suggest two separate paths of differentiation. However, zoned grains were not observed. Unit cells were cubic with a = 10.351 ± 0.002 Å for a grain with 12.9% UO2tot and 10.333 ± 0.002 Å for a grain with 26.6% UO2tot. On heating in air the cell size decreased, possibly due to oxidation of U4+. The crystalline nature of these minerals can be attributed to a very young (4000–5000 yr) geological age.

Characterization of Natural and Synthesized FeTiO3 Crystals With RBS/PIXE/XRD

1997 ◽  
Vol 07 (03n04) ◽  
pp. 265-275
Author(s):  
R. Q. Zhang ◽  
S. Yamamoto ◽  
Z. N. Dai ◽  
K. Narumi ◽  
A. Miyashita ◽  
...  
Keyword(s):  
Single Crystals ◽  
Ion Beam ◽  
Pressure Control ◽  
Floating Zone ◽  
X Ray Diffraction ◽  
X Ray ◽  
Beam Analysis ◽  
Ppm Level

Natural FeTiO 3 (illuminate) and synthesized FeTiO 3, single crystals were characterized by Rutherford backscattering spectroscopy combined with channeling technique and particle-induced x-ray emission (RBS-C and PIXE). The results obtained by the ion beam analysis were supplemented by the x-ray diffraction analysis to identify the crystallographic phase. Oriented single crystals of synthesized FeTiO 3 were grown under the pressure control of CO 2 and H 2 mixture gas using a single-crystal floating zone technique. The crystal quality of synthesized FeTiO 3 single crystals could be improved by the thermal treatment but the exact pressure control is needed to avoid the precipitation of Fe 2 O 3 even during the annealing procedure. Natural FeTiO 3 contains several kinds of impurities such as Mn , Mg , Na and Si . The synthesized samples contain Al , Si and Na which are around 100 ppm level as impurities. The PBS-C results of the natural sample imply that Mn impurities occupy the Fe sublattice in FeTiO 3 or in mixed phase between ilmenite and hematite.

SPUTTERING WITH GAS CLUSTER-ION BEAMS

1996 ◽  
Vol 03 (01) ◽  
pp. 1017-1021 ◽  
Author(s):  
J. MATSUO ◽  
M. AKIZUKI ◽  
J. NORTHBY ◽  
G.H. TAKAOKA ◽  
I. YAMADA
Keyword(s):  
Ion Irradiation ◽  
Removal Rate ◽  
Ion Beam ◽  
Solid Surfaces ◽  
Silicon Surfaces ◽  
Cluster Ions ◽  
Mass Filter ◽  
Cluster Bombardment ◽  
Cluster Ion Beams ◽  
Cluster Ion

A high-current (~100 nA) cluster-ion-beam equipment with a new mass filter has been developed to study the energetic cluster-bombardment effects on solid surfaces. A dramatic reduction of Cu concentration on silicon surfaces has been achieved by 20-keV Ar cluster (N~3000) ion bombardment. The removal rate of Cu with cluster ions is two orders of magnitude higher than that with monomer ions. A significantly higher sputtering yield is expected for cluster-ion irradiation. An energetic cluster-ion beam is quite suitable for removal of metal.

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