Phonon dispersion curves of BCC Ba

International Nuclear Information System (INIS)

Mizuki, J.; Stassis, C.; Zarestky, J.

1985-01-01

Ba, as well as Sr and Ca, is a divalent alkaline earth metal. At room temperature and ambient pressure, the structure of Ba is bcc, whereas that of Sr and Ca is fcc. Under pressure, the bcc phase of Ba transforms to an hcp structure at 55 kbar. Also, at 37 kbar Ba becomes a superconductor with T/sub c/ = 0.06 K. These properties are highly dependent on the position of the d bands relative to the Fermi level. Experimental investigation of the elastic and lattice dynamical properties of these metals has been hindered by difficulties in growing single crystals. However, recently the authors were able to grow several single crystals of bcc Ba of sufficient volume for inelastic neutron scattering experiments. Some of the results are summarized here

Tensile properties of several 800 MeV proton-irradiated bcc metals and alloys

International Nuclear Information System (INIS)

Brown, R.D.; Wechsler, M.S.; Tschalar, C.

1987-01-01

A spallation neutron source for the 600-MeV proton accelerator facility at the Swiss Institute for Nuclear Research (SIN) consists of a vertical cylinder filled with molten Pb-Bi. The proton beam enters the cylinder, passing upward through a window in contact with the Pb-Bi eutectic liquid that must retain reasonable strength and ductility upon irradiation at about 673 K to fluence of about 1 x 10/sup 25/ protons/m/sup 2/. Investigations are underway at the 800-MeV proton accelerator at the Los Alamos Meson Physics Facility (LAMPF) to test the performance of candidate SIN window materials under appropriate conditions of temperature, irradiation, and environment. Based on considerations of chemical compatibility with molten Pb-Bi, as well as interest in identifying fundamental radiation damage mechanisms, Fe, Ta, Fe-2.25Cr-1Mo, and Fe-12Cr-1Mo(HT-9) were chosen as candidate materials. Sheet tensile samples, 0.5-mm thick, of the four materials were fabricated and heat treated. The samples were sealed inside capsules containing Pb-Bi and were proton-irradiated at LAMPF to two fluences, 4.8 and 54 x 10/sup 23/ p/m/sup 2/. The beam current was approximately equal to the 1 mA anticipated for the upgraded SIN accelerator. The power deposited by the proton beam in the capsules was sufficient to maintain sample temperatures of about 673 K. Post-irradiation tensile tests were conducted at room temperature at a strain rate of 9 x 10/sup -4/s/sup -1/. The yield and ultimate strengths increased upon irradiation in all materials, while the ductility decreased, as indicated by the uniform strain. The pure metals, Ta and Fe, exhibited the greatest radiation hardening and embrittlement. The HT-9 alloy showed the smallest changes in strength and ductility. The increase in strength following irradiation is discussed in terms of a dispersed-barrier hardening model, for which the barrier sizes and formation cross sections are calculated

Bcc and Fcc transition metals and alloys: a central role for the Jahn-Teller effect in explaining their ideal and distorted structures.

Science.gov (United States)

Lee, Stephen; Hoffmann, Roald

2002-05-01

Transition metal elements, alloys, and intermetallic compounds often adopt the body centered cubic (bcc) and face centered cubic (fcc) structures. By comparing quantitative density functional with qualitative tight-binding calculations, we analyze the electronic factors which make the bcc and fcc structures energetically favorable. To do so, we develop a tight-binding function, DeltaE(star), a function that measures the energetic effects of transferring electrons within wave vector stars. This function allows one to connect distortions in solids to the Jahn-Teller effect in molecules and to provide an orbital perspective on structure determining deformations in alloys. We illustrate its use by considering first a two-dimensional square net. We then turn to three-dimensional fcc and bcc structures, and distortions of these. Using DeltaE(star), we rationalize the differences in energy of these structures. We are able to deduce which orbitals are responsible for instabilities in seven to nine valence electron per atom (e(-)/a) bcc systems and five and six e(-)/a fcc structures. Finally we demonstrate that these results account for the bcc and fcc type structures found in both the elements and binary intermetallic compounds of group 4 through 9 transition metal atoms. The outline of a theory of metal structure deformations based on loss of point group operation rather than translational symmetry is presented.

Ion irradiation effects on high purity bcc Fe and model FeCr alloys

International Nuclear Information System (INIS)

Bhattacharya, Arunodaya

2014-01-01

FeCr binary alloys are a simple representative of the reduced activation ferritic/martensitic (F-M) steels, which are currently the most promising candidates as structural materials for the sodium cooled fast reactors (SFR) and future fusion systems. However, the impact of Cr on the evolution of the irradiated microstructure in these materials is not well understood in these materials. Moreover, particularly for fusion applications, the radiation damage scenario is expected to be complicated further by the presence of large quantities of He produced by the nuclear transmutation (∼ 10 appm He/dpa). Within this context, an elaborate ion irradiation study was performed at 500 C on a wide variety of high purity FeCr alloys (with Cr content ranging from ∼ 3 wt.% to 14 wt.%) and a bcc Fe, to probe in detail the influence of Cr and He on the evolution of microstructure. The irradiations were performed using Fe self-ions, in single beam mode and in dual beam mode (damage by Fe ions and co-implantation of He), to separate ballistic damage effect from the impact of simultaneous He injection. Three different dose ranges were studied: high dose (157 dpa, 17 appm He/dpa for the dual beam case), intermediate dose (45 dpa, 57 appm He/dpa for dual beam case) and in-situ low dose (0.33 dpa, 3030 appm He/dpa for the dual beam case). The experiments were performed at the JANNuS triple beam facility and dual beam in situ irradiation facility at CEA-Saclay and CSNSM, Orsay respectively. The microstructure was principally characterized by conventional TEM, APT and EDS in STEM mode. The main results are as follows: 1) A comparison of the cavity microstructure in high dose irradiated Fe revealed strong swelling reduction by the addition of He. It was achieved by a drastic reduction in cavity sizes and an increased number density. This behaviour was observed all along the damage depth, up to the damage peak. 2) Cavity microstructure was also studied in the dual beam high dose

Thermodynamic properties of bcc crystals at high temperatures: The transition metals

International Nuclear Information System (INIS)

MacDonald, R.A.; Shukla, R.C.

1985-01-01

The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

Hydrogen diffusion and trapping in bcc and fcc metals

International Nuclear Information System (INIS)

Richter, D.

1979-01-01

The fundamental aspects of the metal--hydrogen systems are described. The large number of anomalous properties are the reason for continuous scientific effort. The time scale of hydrogen motion is extremely short. The characteristic frequencies of the localized modes of hydrogen in Ta, Nb, or V are in the order of 10 -14 sec (energies between 0.1 to 0.2 eV); the jump frequencies for H-diffusion at elevated temperatures in those systems are between 10 +12 to 10 +13 sec -1 . They are comparable with the correlation times for diffusion in liquids and more than ten orders of magnitude larger than the jump times for nitrogen in Nb. Out of the large number of experimental data this paper will survey only some recent results on representative fcc and bcc metals for dilute H solutions. The nature of the elementary step in H-diffusion is described. Here the temperature and isotope dependence of the H-diffusion coefficient gives hints to the mechanism involved. The experimental results are discussed in terms of semiclassical and quantum mechanical diffusion theories

SIMS as a new methodology to depth profile helium in as-implanted and annealed pure bcc metals?

Energy Technology Data Exchange (ETDEWEB)

Gorondy-Novak, S. [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France); Jomard, F. [Groupe d' Etude de la Matière Condensée, CNRS, UVSQ, 45 avenue des Etats-Unis, 78035 Versailles cedex (France); Prima, F. [PSL Research University, Chimie ParisTech – CNRS, Institut de Recherche de Chimie Paris, 75005 Paris (France); Lefaix-Jeuland, H., E-mail: helene.lefaix@cea.fr [CEA, DEN, Service de Recherches de Métallurgie Physique, Université Paris-Saclay, F-91191 Gif-sur-Yvette (France)

2017-05-01

Reliable He profiles are highly desirable for better understanding helium behavior in materials for future nuclear applications. Recently, Secondary Ions Mass Spectrometry (SIMS) allowed the characterization of helium distribution in as-implanted metallic systems. The Cs{sup +} primary ion beam coupled with CsHe{sup +} molecular detector appeared to be a promising technique which overcomes the very high He ionization potential. In this study, {sup 4}He depth profiles in pure body centered cubic (bcc) metals (V, Fe, Ta, Nb and Mo) as-implanted and annealed, were obtained by SIMS. All as-implanted samples exhibited a projected range of around 200 nm, in agreement with SRIM theoretical calculations. After annealing treatment, SIMS measurements evidenced the evolution of helium depth profile with temperature. The latter SIMS results were compared to the helium bubble distribution obtained by Transmission Electron Microscopy (TEM). This study confirmed the great potential of this experimental procedure as a He-depth profiling technique in bcc metals. Indeed, the methodology described in this work could be extended to other materials including metallic and non-metallic compounds. Nevertheless, the quantification of helium concentration after annealing treatment by SIMS remains uncertain probably due to the non-uniform ionization efficiency in samples containing large bubbles.

Irradiation swelling in self-ion irradiated niobium

International Nuclear Information System (INIS)

Bajaj, R.; Shiels, S.A.; Hall, B.O.; Fenske, G.R.

1987-01-01

This paper presents initial results of an investigation of swelling mechanisms in a model body centered cubic (bcc) metal, niobium, irradiated at elevated temperatures (0.3 T/sub m/ to 0.6 T/sub m/) where T/sub m/ = melting point in K. The objective of this work is to achieve an understanding of the elevated temperature swelling in bcc metals, which are the prime candidate alloys and composite matrix materials for space reactor applications. Niobium was irradiated with 5.3 MeV Nb ++ ions, at temperatures ranging from 700 0 C to 1300 0 C, to a nominal dose of 50 dpa at a dose rate of 6 x 10 -3 dpas. Swelling was observed over a temperature range of 700 0 C to 1200 0 C, with a peak swelling of 7% at 900 0 C. The microstructural data, obtained from transmission electron microscopy, were compared to the predictions of the theoretical model developed during this program. A reasonable agreement was obtained between the experimental measurements of swelling and theoretical predictions by adjusting both the niobium-oxygen binding energy and the incubation dose for swelling to realistic values

Microstructural studies of hydrogen and deuterium in bcc refractory metals. Final technical report

International Nuclear Information System (INIS)

Moss, S.C.

1984-04-01

Research was conducted on the microstructural atomic arrangements in alloys of hydrogen and deuterium with bcc refractory metals with emphasis on V and Nb. Because these are interstitial phases in which the host metal lattice is substantially deformed by the incorporation of the H(D) atoms, there are pronounced x-ray scattering effects. X-ray diffraction was used, with neutron scattering providing useful corollary data. One objective was to determine the phase relations, solid solution structures and phase transitions in metal-hydride alloys which depend upon the hydrogen-hydrogen interaction via the displacement field of the metal atoms. This has often included the elucidation of subtle thermodynamic properties (as in critical wetting) which are revealed in structural studies. Crystals were supplied for positron annihilation studies of the Fermi surface of H-Ta alloys which have revealed significant electronic trends. Work on alkali-graphite intercalates was initiated

Comparison of void strengthening in fcc and bcc metals: Large-scale atomic-level modelling

International Nuclear Information System (INIS)

Osetsky, Yu.N.; Bacon, D.J.

2005-01-01

Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects

Low-temperature embrittlement and fracture of metals with different crystal lattices – Dislocation mechanisms

Directory of Open Access Journals (Sweden)

V.M. Chernov

2016-12-01

Full Text Available The state of a low-temperature embrittlement (cold brittleness and dislocation mechanisms for formation of the temperature of a ductile-brittle transition and brittle fracture of metals (mono- and polycrystals with various crystal lattices (BCC, FCC, HCP are considered. The conditions for their formation connected with a stress-deformed state and strength (low temperature yield strength as well as the fracture breaking stress and mobility of dislocations in the top of a crack of the fractured metal are determined. These conditions can be met for BCC and some HCP metals in the initial state (without irradiation and after a low-temperature damaging (neutron irradiation. These conditions are not met for FCC and many HCP metals. In the process of the damaging (neutron irradiation such conditions are not met also and the state of low-temperature embrittlement of metals is absent (suppressed due to arising various radiation dynamic processes, which increase the mobility of dislocations and worsen the strength characteristics.

Nuclear spin relaxation due to hydrogen diffusion in b.c.c. metals

International Nuclear Information System (INIS)

Faux, D.A.; Hall, C.K.

1989-01-01

We present Monte Carlo simulation results for the proton-proton contribution to the T 1 -1 relaxation rate for hydrogen spins diffusing on the tetrahedral sites of a b.c.c. metal. It is assumed that each hydrogen blocks all sites to the zeroth (no multiple-occupancy), second or third neighbour and that longer-range interactions may be neglected. Comparisons are made to the BPP and Torrey models. It is found that both the BPP and Torrey models give reasonable values for the peak height but that their predictions for the peak position and the high- and low-temperature limit are in error, particularly for large blocking distances. (orig.)

Neutron spectroscopy of fast hydrogen diffusion in BCC transition metals

International Nuclear Information System (INIS)

Richter, D.; Lottner, V.

1979-01-01

Quasielastic neutron scattering reveals microscopic details of both the time and space development of the H-diffusion process on an atomic scale. After outlining the method on the example of PdH/sub x/, new results on the jump geometry in bcc metals are surveyed. In particular, the anomalous diffusion behavior of H in Nb, Ta, and V at elevated temperature is emphasized, where correlated jump processes are important. The influence of impurities on the H-diffusion process is demonstrated by experiments performed on NbH/sub x/ doped with nitrogen impurities, which act as trapping centers for the diffusing hydrogen. The results are discussed in terms of a two-state random walk model which includes multiple trapping and detrapping processes. The concentration and temperature dependence of the capture and escape rates of traps are obtained

Strong, Ductile, and Thermally Stable bcc-Mg Nanolaminates.

Science.gov (United States)

Pathak, Siddhartha; Velisavljevic, Nenad; Baldwin, J Kevin; Jain, Manish; Zheng, Shijian; Mara, Nathan A; Beyerlein, Irene J

2017-08-15

Magnesium has attracted attention worldwide because it is the lightest structural metal. However, a high strength-to-weight ratio remains its only attribute, since an intrinsic lack of strength, ductility and low melting temperature severely restricts practical applications of Mg. Through interface strains, the crystal structure of Mg can be transformed and stabilized from a simple hexagonal (hexagonal close packed hcp) to body center cubic (bcc) crystal structure at ambient pressures. We demonstrate that when introduced into a nanocomposite bcc Mg is far more ductile, 50% stronger, and retains its strength after extended exposure to 200 C, which is 0.5 times its homologous temperature. These findings reveal an alternative solution to obtaining lightweight metals critically needed for future energy efficiency and fuel savings.

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

Science.gov (United States)

Dudarev, S. L.; Ma, Pui-Wai

2018-03-01

Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a orientation of the defect.

Effect of thermal friction on the generation and transport of interstitial defects in irradiated metals

CERN Document Server

Dudarev, S L

2002-01-01

Generation of interstitial and vacancy defects under 14.1 MeV neutron irradiation is expected to drive the evolution of microstructure of materials in a future fusion power station. We investigate effects of thermal friction associated with the interaction between mobile clusters of interstitial atoms produced in collision cascades and phonon excitations. Phonons give rise to the random Brownian motion of clusters in the crystal lattice. Phonon excitations are also responsible for the dissipation of energy of rapidly moving clusters formed at the periphery of collision cascades. We investigate how the coefficient of thermal friction depends on the structure of clusters. We also discuss implications of our findings for understanding the origin of higher resistance of bcc metals to irradiation and the connection between this phenomenon and the long-range effect observed in experiments on ion implantation.

Assessment of the structural relations between the bcc and omega phases of Ti, Zr, Hf and other transition metals

International Nuclear Information System (INIS)

Aurelio, G.; Guillermet, A.F.

2000-01-01

The name omega (Ω) phase refers to a high-pressure structural modification of the transition metals (TMs) Ti, Zr, and Hf. In alloys of Ti, Zr and Hf with other TMs, the Ω phase can be formed and retained metastably at room temperature by quenching the bcc structure, which is usually the stable high-temperature phase in these alloy systems. As a part of a systematic investigation of the structural and bonding properties of the bcc and Ω phases, and of the bcc → Ω phase transformation in TMs and alloys, we present in this paper a detailed analysis of the structural relations between these phases in Ti, Zr, Hf and in other TMs. The approach is as follows. First, we establish the most general geometrical relations connecting the lattice parameters and interatomic distances (IDs) of the bcc and Ω structures. Next, we focus on the ratio between the relevant IDs of these phases, which are assessed on the basis of an extensive database with experimental and theoretical information. Both stable and metastable structures are considered, and various remarkable regularities in ID ratios are discussed. Finally, in the light of the systematics of ID ratios established in the present work, a discussion is made of the probable lattice parameters for the Ω phase of Hf, which are not yet accurately known from direct measurements. (orig.)

On hyper BCC-algebras

OpenAIRE

Borzooei, R. A.; Dudek, W. A.; Koohestani, N.

2006-01-01

We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

On hyper BCC-algebras

Directory of Open Access Journals (Sweden)

R. A. Borzooei

2006-01-01

Full Text Available We study hyper BCC-algebras which are a common generalization of BCC-algebras and hyper BCK-algebras. In particular, we investigate different types of hyper BCC-ideals and describe the relationship among them. Next, we calculate all nonisomorphic 22 hyper BCC-algebras of order 3 of which only three are not hyper BCK-algebras.

Smarandache hyper BCC-algebra

OpenAIRE

Ahadpanah, A.; Borumand Saeid, A.

2011-01-01

In this paper, we define the Smarandache hyper BCC-algebra, and Smarandache hyper BCC-ideals of type 1, 2, 3 and 4. We state and prove some theorems in Smarandache hyper BCC -algebras, and then we determine the relationships between these hyper ideals.

A review of the irradiation evolution of dispersed oxide nanoparticles in the b.c.c. Fe-Cr system: Current understanding and future directions

Energy Technology Data Exchange (ETDEWEB)

Wharry, Janelle P., E-mail: jwharry@purdue.edu [Purdue University, 400 Central Drive, West Lafayette, IN 47907 (United States); Swenson, Matthew J.; Yano, Kayla H. [Boise State University, 1910 University Drive, Boise, ID 83725 (United States)

2017-04-01

Thus far, a number of studies have investigated the irradiation evolution of oxide nanoparticles in b.c.c. Fe-Cr based oxide dispersion strengthened (ODS) alloys. But given the inconsistent experimental conditions, results have been widely variable and inconclusive. Crystal structure and chemistry changes differ from experiment to experiment, and the total nanoparticle volume fraction has been observed to both increase and decrease. Furthermore, there has not yet been a comprehensive review of the archival literature. In this paper, we summarize the existing studies on nanoparticle irradiation evolution. We note significant observations with respect to oxide nanoparticle crystallinity, composition, size, and number density. We discuss four possible contributing mechanisms for nanoparticle evolution: ballistic dissolution, Ostwald ripening, irradiation-enhanced diffusion, and homogeneous nucleation. Finally, we propose future directions to achieve a more comprehensive understanding of irradiation effects on oxide nanoparticles in ODS alloys.

Calculation of elastic constants of BCC transition metals: tight-binding recursion method

International Nuclear Information System (INIS)

Masuda, K.; Hamada, N.; Terakura, K.

1984-01-01

The elastic constants of BCC transition metals (Fe, Nb, Mo and W) are calculated by using the tight-binding d band and the Born-Mayer repulsive potential. Introducing a small distortion characteristic to C 44 (or C') elastic deformation and calculating the energy change up to second order in the atomic displacement, the shear elastic constants C 44 and C' are determined. The elastic constants C 11 and C 12 are then calculated by using the relations B=1/3(C 11 + 2C 12 ) and C'=1/2(C 11 -C 12 ), where B is the bulk modulus. In general, the agreement between the present results and the experimental values is satisfactory. The characteristic elasticity behaviour, i.e. the strong Nsub(d) (number of d electrons) dependence of the observed anisotropy factor A=C 44 /C', will also be discussed. (author)

Application of generalized non-Schmid yield law to low-temperature plasticity in bcc transition metals

International Nuclear Information System (INIS)

Lim, H; Weinberger, C R; Battaile, C C; Buchheit, T E

2013-01-01

In this work, a generalized yield criterion that captures non-Schmid effects is proposed and implemented into a finite element crystal plasticity model to simulate plastic deformation of single and polycrystals. The parameters required for the constitutive formulation were calibrated to deformation experiments on single crystals. This model is used to investigate the effects of non-Schmid effects on the predictions of the stress–strain response and texture evolution in body-centered-cubic (bcc) metals. The non-Schmid contributions are required to accurately predict the stress–strain response of single crystals, and the concomitant non-associativity of the flow also increases the tendency of localization in polycrystal deformations. (paper)

On the recovery of neutron irradiation defects of some metals and alloys

International Nuclear Information System (INIS)

Mohamed, H.G.; Matta, M.K.

2001-01-01

This work deals with the recovery of mechanical properties of neutron irradiated material to the pre-irradiating values. Rate of migration of defects responsible for radiation hardening and those inducing radiation embrittlement is analyzed. Role of crystalline structure is also studied. Materials of FCC crystal structure used in these investigations are pure Cu, Cu-5 at. % , Al, Cu-5 at. % Si, some Ni base binary alloys and some austenitic stainless steels mainly of AISI types 304 and 316. Among materials of BCC crystalline structure Fe-6 wt % Cr alloy is used. Alloys with CPH structure used in the present investigations are Zr-l wt. % Nb and Mg - 4.8 wt % Li alloys. History of material is studied such as cold worked state and annealed condition. Character of alloying elements and their amounts were of interest in this study. The result showed that the higher the percentage radiation hardening, the slower is the migration of radiation defects. Irradiated pure metals recovered at a higher temperature than alloys. Cold work accelerated the migration of radiation defects. The amount of alloying elements had little effect on the recovery temperatures. Character of solute alloying elements (substitutional or interstitial) revealed sensitive effect on the migration of radiation defects. Rate of migration of defects causing hardening can be different from those causing embrittlement. (author)

A SIPA-based theory of irradiation creep in the low swelling rate regime

International Nuclear Information System (INIS)

Garner, F.A.; Woo, C.H.

1991-11-01

A model is presented which describes the major facets of the relationships between irradiation creep, void swelling and applied stress. The increasing degree of anisotropy in distribution of dislocation Burger's vectors with stress level plays a major role in this model. Although bcc metals are known to creep and swell at lower rates than fcc metals, it is predicted that the creep-swelling coupling coefficient is actually larger

Indium-defect interactions in FCC and BCC metals studied using the modified embedded atom method

Energy Technology Data Exchange (ETDEWEB)

Zacate, M. O., E-mail: zacatem1@nku.edu [Northern Kentucky University, Department of Physics, Geology, and Engineering Technology (United States)

2016-12-15

With the aim of developing a transferable potential set capable of predicting defect formation, defect association, and diffusion properties in a wide range of intermetallic compounds, the present study was undertaken to test parameterization strategies for determining empirical pair-wise interaction parameters in the modified embedded atom method (MEAM) developed by Baskes and coworkers. This report focuses on indium-solute and indium-vacancy interactions in FCC and BCC metals, for which a large set of experimental data obtained from perturbed angular correlation measurements is available for comparison. Simulation results were found to be in good agreement with experimental values after model parameters had been adjusted to reproduce as best as possible the following two sets of quantities: (1) lattice parameters, formation enthalpies, and bulk moduli of hypothetical equiatomic compounds with the NaCl crystal structure determined using density functional theory and (2) dilute solution enthalpies in metals as predicted by Miedema’s semi-empirical model.

Dissolving, trapping and detrapping mechanisms of hydrogen in bcc and fcc transition metals

Directory of Open Access Journals (Sweden)

Yu-Wei You

2013-01-01

Full Text Available First-principles calculations are performed to investigate the dissolving, trapping and detrapping of H in six bcc (V, Nb, Ta, Cr, Mo, W and six fcc (Ni, Pd, Pt, Cu, Ag, Au metals. We find that the zero-point vibrations do not change the site-preference order of H at interstitial sites in these metals except Pt. One vacancy could trap a maximum of 4 H atoms in Au and Pt, 6 H atoms in V, Nb, Ta, Cr, Ni, Pd, Cu and Ag, and 12 H atoms in Mo and W. The zero-point vibrations never change the maximum number of H atoms trapped in a single vacancy in these metals. By calculating the formation energy of vacancy-H (Vac-Hn complex, the superabundant vacancy in V, Nb, Ta, Pd and Ni is demonstrated to be much more easily formed than in the other metals, which has been found in many metals including Pd, Ni and Nb experimentally. Besides, we find that it is most energetically favorable to form Vac-H1 complex in Pt, Cu, Ag and Au, Vac-H4 in Cr, Mo and W, and Vac-H6 in V, Nb, Ta, Pd and Ni. At last, we examine the detrapping behaviors of H atoms in a single vacancy and find that with the heating rate of 10 K/min a vacancy could accommodate 4, 5 and 6 H atoms in Cr, Mo and W at room temperature, respectively. The detrapping temperatures of all H atoms in a single vacancy in V, Nb, Ta, Ni, Pd, Cu and Ag are below room temperature.

Strain ordering in BCC metals and the associated anelasticity

International Nuclear Information System (INIS)

Dattagupta, S.; Ranganathan, R.; Balakrishnan, R.

1982-01-01

The BCC to BCT transformation is thought to occur as a consequence of strain ordering due to the interaction between impurity interstitials. A Hamiltonian is given, which involves the interaction energies between the strain fields of the interstitials belonging to three distinct sublattices. In the BCT phase, one of the sublattices is preferentially occupied. The free energy of the system is calculated in the mean field approximation. In this, the BCC to BCT transformation is found to be a first-order transition at a temperature Tsub(p) that is proportional to the concentration of the interstitials and certain basic interaction parameters. The anelastic behaviour of the interacting interstitials is then studied in the region T > Tsub(p). From the anelastic strain, which is proportional to the order parameter associated with the phase transition, the static compliance is obtained. The latter obeys a Curie-Weiss type of law. The creep function, which determines the response to a constant applied stress, is found to exhibit viscous behaviour near Tsub(p). From the creep function, the frequency-dependent compliance and the internal friction are evaluated. The results predict a shift and a broadening of the internal friction peak as Tsub(p) is approached from above. The features show qualitative resemblance with the recent data on Ta-O. (author)

Stability and mobility of defect clusters and dislocation loops in metals

DEFF Research Database (Denmark)

Osetsky, Y.N.; Bacon, D.J.; Serra, A.

2000-01-01

has been observed in the computer simulation of small vacancy loops in alpha-Fe. In the present paper we summarise results obtained by molecular dynamics simulations of defect clusters and small dislocation loops in alpha-Fe(bcc) and Cu(fcc). The structure and stability of vacancy and interstitial......According to the production bias model, glissile defect clusters and small dislocation loops play an important role in the microstructural evolution during irradiation under cascade damage conditions. The atomic scale computer simulations carried out in recent years have clarified many questions...... loops are reviewed, and the dynamics of glissile clusters assessed. The relevance and importance of these results in establishing a better understanding of the observed differences in the damage accumulation behaviour between bcc and fee metals irradiated under cascade damage conditions are pointed out...

Shear instabilities in perfect bcc crystals during simulated tensile tests

Czech Academy of Sciences Publication Activity Database

Černý, M.; Šesták, P.; Pokluda, J.; Šob, Mojmír

2013-01-01

Roč. 87, č. 1 (2013), 014117/1-014117/4 ISSN 1098-0121 R&D Projects: GA ČR(CZ) GAP108/12/0311 Institutional support: RVO:68081723 Keywords : instabilities * tensile test * bcc metals * ab initio calculations Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.664, year: 2013

Agglomeration Versus Localization Of Hydrogen In BCC Fe Vacancies

International Nuclear Information System (INIS)

Simonetti, S.; Juan, A.; Brizuela, G.; Simonetti, S.

2006-01-01

Severe embrittlement can be produced in many metals by small amounts of hydrogen. The interactions of hydrogen with lattice imperfections are important and often dominant in determining the influence of this impurity on the properties of solids. The interaction between four-hydrogen atoms and a BCC Fe structure having a vacancy has been studied using a cluster model and a semiempirical method. For a study of sequential absorption, the hydrogen atoms were positioned in their energy minima configurations, near to the tetrahedral sites neighbouring the vacancy. VH 2 and VH 3 complexes are energetically the most stables in BCC Fe. The studies about the stability of the hydrogen agglomeration gave as a result that the accumulation is unfavourable in complex vacancy-hydrogen with more than three atoms of hydrogen. (authors)

Low temperature irradiation effects on plastic deformation in BCC metals

International Nuclear Information System (INIS)

Aono, Yasuhisa

1984-01-01

Low temperature electron beam experiment was carried out on high purity iron and molybdenum single crystals, and its effect on the plastic deformation was examined. As the characteristics of the irradiated iron below 77 K, remarkable softening occurred in all orientations. This phenomenon is based on the interaction of self interstitial atoms and screw dislocations, and the other features such as the absorption of interstitial atoms into screw dislocations and the slip on maximum shearing stress planes were shown. On the other hand, the aggregate of interstitial atoms formed by annealing showed the different plastic characteristics from those of interstitial atoms, and gave the results corresponding to respective stages of the electric resistance recovery curves. Regarding molybdenum, the transfer of its self interstitial atoms is near 40 K, therefore at 77 K, cluster is formed, and it largely affects abnormal slip, which is one of the features of the plasticity of molybdenum. The peculiar dependence of the yield stress on the crystalline orientation was shown. The property of the interaction of the aggregate of interstitial atoms formed and grown by the annealing from 77 K to 500 K with dislocations corresponded to the information of defects obtained by the X-ray research of Maeta, and the similarity to the aggregate of iron was observed. (Kako, I.)

Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron

Science.gov (United States)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-12-01

The prismatic loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, shape, size, orientation and depth of the loop in the foil, they can escape to the free surface creating denuded loop-free zones and thus invalidating TEM observations. In our previous studies we described a simple general method to determine the critical depth and the critical stress to move prismatic dislocation loops. The critical depths can be further used to correct measurements of the loop density by TEM. Here, we use this procedure to compare 〈100〉 loops and 1/2 〈111〉 loops in body-centered cubic (BCC) iron. The influences of the interatomic potential and the loop orientation are studied in detail. The difference between interstitial and vacancy type loop is also investigated.

Metastable bcc Fe-Mn alloys produced by rf sputtering

International Nuclear Information System (INIS)

Sumiyama, Kenji; Kadono, Masaru; Nakamura, Yoji

1981-01-01

Fe sub(1-x)Mn sub(x) alloy films obtained by rf sputtering technique have been investigated by X-ray diffraction, magnetization and Moessbauer effect measurements. The single bcc phase extends up to about x = 0.2, while a bcc-fcc mixed phase appears for x = 0.2 - 0.26. The lattice constants of the bcc phase are about 0.5% larger than those of the bulk specimens. The magnetization decreases monotonically with increasing x in the bcc phase, while it decreases sharply in the bcc-fcc mixed phase. These results are consistent with the Moessbauer spectra of these alloy films. The volume fraction of bcc and fcc phases has been estimated from Moessbauer analyses as well as magnetization measurements. (author)

High Temperature Magneto-Elastic Instability of Dislocations in bcc Iron

International Nuclear Information System (INIS)

Dudarev, S.; Bullough, R.; Gilbert, M.; Derlet, P.

2007-01-01

Full text of publication follows: Density functional calculations show that the low temperature structure of self-interstitial defects in iron is fundamentally different from the structure of self-interstitial defects in all the other bcc metals. The origin of this anomaly is associated with the magnetic part of the cohesive energy of iron, where the Stoner exchange term stabilizes the body centred cubic phase, and where the magnetic part of energy is strongly affected by the large strain associated with the core region of an interstitial defect. At elevated temperatures magnetic excitations erode the stability of the bcc phase, giving rise to the gradual softening of the 110 transverse acoustic phonon modes and to the α-γ bcc-fcc martensitic phase transition occurring at 912 deg. C at normal pressure. Elastic moduli of bcc iron vary as a function of temperature with c' = (C 11 - c 12 )/2 vanishing at the α-γ transition point. This has significant effects on the magnitude of both the elastic interactions between dislocations and other defects in the material and on the intrinsic structural stability of the dislocations and other defects themselves. To evaluate structural stability of defects at elevated temperatures we investigate elastic self-energies of dislocations in the continuum anisotropic elasticity approximation. We also develop atomistic models of dislocations and point defects based on a generalised form of the magnetic potential. By varying the magnetic part of the potential we are able to reproduce the experimentally observed variation of elastic moduli as a function of temperature, and assess relative stability of various types of defect structures. Our analysis shows that, in complete contrast to other straight dislocations, the elastic self-energy of straight 100 edge dislocations actually sharply decreases as we approach the α-γ transition, indicating that this surprising fact is a probable explanation of the frequent observation of the 100

Nuclear prehistory influence on irradiated metallic iron phase composition

International Nuclear Information System (INIS)

Alekseev, I.E.

2007-01-01

With application of different Moessbauer spectroscopy applications the phase composition of metallic iron after irradiation by both neutrons and charged particles were studied. Irradiation conditions, method of targets examination and phase composition of samples after irradiation were presented in tabular form. It is shown, that phase composition of irradiated metal is defined by nuclear prehistory. So, in a number of cases abnormals (stabilization of high- and low-temperature structural phases of iron at room temperature after irradiation end) were revealed

Irradiation performance of full-length metallic IFR fuels

International Nuclear Information System (INIS)

Tsai, H.; Neimark, L.A.

1992-07-01

An assembly irradiation of 169 full-length U-Pu-Zr metallic fuel pins was successfully completed in FFTF to a goal burnup of 10 at.%. All test fuel pins maintained their cladding integrity during the irradiation. Postirradiation examination showed minimal fuel/cladding mechanical interaction and excellent stability of the fuel column. Fission-gas release was normal and consistent with the existing data base from irradiation testing of shorter metallic fuel pins in EBR-II

Grain size engineering of bcc refractory metals: Top-down and bottom-up-Application to tungsten

International Nuclear Information System (INIS)

Kecskes, L.J.; Cho, K.C.; Dowding, R.J.; Schuster, B.E.; Valiev, R.Z.; Wei, Q.

2007-01-01

We have used two general methodologies for the production of ultrafine grained (UFG) and nanocrystalline (NC) tungsten (W) metal samples: top-down and bottom-up. In the first, Equal channel angular extrusion (ECAE), coupled with warm rolling has been used to fabricate UFG W, and high pressure torsion (HPT) was used to fabricate NC W. We demonstrate an abrupt shift in the deformation mechanism, particularly under dynamic compressive loading, in UFG and NC W. This novel deformation mechanism, a dramatic transition from a uniform deformation mode to that of localized shearing, is shared by other UFG and NC body-centerd cubic (BCC) metals. We have also conducted a series of bottom-up experiments to consolidate powdered UFG W precursors into solid bodies. The bottom-up approach relies on rapid, high-temperature consolidation, specifically designed for UFG and NC W powders. The mechanical property results from the top-down UFG and NC W were used as minimum property benchmarks to guide and design the experimental protocols and parameters for use in the bottom-up procedures. Preliminary results, showing rapid grain growth during the consolidation cycle, did not achieve full density in the W samples. Further development of high-purity W nanopowders and appropriate grain-growth inhibitors (e.g., Zener pinning) will be required to successfully produce bulk-sized UFG and NC W samples

Pivotal ERIVANCE basal cell carcinoma (BCC) study: 12-month update of efficacy and safety of vismodegib in advanced BCC.

Science.gov (United States)

Sekulic, Aleksandar; Migden, Michael R; Lewis, Karl; Hainsworth, John D; Solomon, James A; Yoo, Simon; Arron, Sarah T; Friedlander, Philip A; Marmur, Ellen; Rudin, Charles M; Chang, Anne Lynn S; Dirix, Luc; Hou, Jeannie; Yue, Huibin; Hauschild, Axel

2015-06-01

Primary analysis from the pivotal ERIVANCE BCC study resulted in approval of vismodegib, a Hedgehog pathway inhibitor indicated for treatment of adults with metastatic or locally advanced basal cell carcinoma (BCC) that has recurred after surgery or for patients who are not candidates for surgery or radiation. An efficacy and safety analysis was conducted 12 months after primary analysis. This was a multinational, multicenter, nonrandomized, 2-cohort study in patients with measurable and histologically confirmed locally advanced or metastatic BCC taking oral vismodegib (150 mg/d). Primary outcome measure was objective response rate (complete and partial responses) assessed by independent review facility. After 12 months of additional follow-up, median duration of exposure to vismodegib was 12.9 months. Objective response rate increased from 30.3% to 33.3% in patients with metastatic disease, and from 42.9% to 47.6% in patients with the locally advanced form. Median duration of response in patients with locally advanced BCC increased from 7.6 to 9.5 months. No new safety signals emerged with extended treatment duration. Limitations include low prevalence of advanced BCC and challenges of designing a study with heterogenous manifestations. The 12-month update of the study confirms the efficacy and safety of vismodegib in management of advanced BCC. Copyright © 2015 American Academy of Dermatology, Inc. Published by Elsevier Inc. All rights reserved.

NMR studies of defects created by irradiation in metals

International Nuclear Information System (INIS)

Minier, M.; Minier, C.

1983-06-01

Nuclear Magnetic Resonance has been rarely used to study point defects created by irradiation in metals. Information obtained in this field using N.M.R. are shown. Some results are also described: characterization of migrating defects in electron irradiated copper; mobility of the complex interstitial-impurity in Al with 150 ppm of chromium; interstitial structure in irradiated aluminum and autodiffusion in metals [fr

Study of defect annealing behaviour in neutron irradiated Cu and Fe using positron annihilation and electrical conductivity

International Nuclear Information System (INIS)

Eldrup, M.; Singh, B.N.

2000-01-01

To compare the defect accumulation and the annealing behaviour in an fcc and a bcc metal, OFHC-Cu and pure Fe were neutron irradiated at 100 deg. C to a fluence of 1.5 x 10 24 n/m 2 , (E > 1 MeV). Isochronal annealing was carried out and the annealing behaviour followed by positron annihilation spectroscopy (PAS) as well as electrical conductivity measurements. The results for the two specimens in the as-irradiated state are very different. In Cu the defect positron lifetime is characteristic of single vacancies, very small vacancy clusters or stacking fault tetrahedra, while in Fe the defect lifetimes confirm the presence of micro-voids and voids. The electrical conductivity, on the other hand does not discriminate between the two types of damage in the irradiated specimens. During annealing of the irradiated Fe below stage V, the average void size grows by migration and coalescence of the micro-voids and voids. At and above stage V the void density decreases and the voids finally anneal out at ∼500 deg. C. In contrast, the annealing of irradiated Cu below stage V does not yield any evidence for the evolution of micro-voids or voids. The implications of these results are discussed. One conclusion is that neutron irradiation below stage V causes higher void swelling in bcc iron than in fcc copper

Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

Energy Technology Data Exchange (ETDEWEB)

O' Keefe, M.J.; Stutz, C.E.

1997-07-01

Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was {approximately}1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in {ge}1 GPa tensile increase in film stress.

Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films

International Nuclear Information System (INIS)

O'Keefe, M.J.; Stutz, C.E.

1997-01-01

Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found to be a function of the sputtering pressure and presputter time; under conditions in which the as-deposited stress of the film was approximately1.5 GPa compressive delamination of the W film from the substrate was observed. Data from the thermal studies indicated that bcc film stress was not affected by annealing but transformation of the A-15 structure resulted in a large tensile increase in the stress of the film, regardless of the as-deposited stress of the film. In several instances, complete transformation of the A-15 structure into the bcc phase resulted in ge1 GPa tensile increase in film stress

Effects of irradiation of sewage sludge on heavy metal bioavailability

International Nuclear Information System (INIS)

Sheppard, S.C.; Mayoh, K.R.

1986-10-01

Sewage sludges are a valuable resource to agriculture, but their use is limited by the hazards of pathogens, toxic chemicals and heavy metals. Irradiation can control the pathogens and deactivate some of the toxic chemicals. The relative cost of industrial-scale irradiation using accelerators has decreased progressively. This, coupled with the increasing necessity to recycle wastes, has led to renewed interest in irradiation of sludges. In response to this renewed interest, this report examines what is known about the effects of irradiation on the bioavailability of heavy metals. Very few studies have addressed this topic, although workers in the U.S. have claimed decreased solubility of metals in irradiated sludges. We have also briefly reviewed the general literature on sludge to gain indirect evidence on the likely effects. The scant data, often based on less than ideal experimental methodologies, show no major consistent effects of irradiation on the availability of heavy metals from sludge. The data are not sufficient to rule out such effects entirely, but the effects appear to be fairly subtle and not likely to persist beyond one growth season. 85 refs

Direct electrical heating of irradiated metal fuel

International Nuclear Information System (INIS)

Fenske, G.R.; Emerson, J.E.; Savoie, F.E.; Johanson, E.W.

1985-01-01

The Integral Fast Reactor (IFR) concept proposed by Argonne National Laboratory utilizes a metal fuel core. Reactor safety analysis requires information on the potential for fuel axial expansion during severe thermal transients. In addition to a comparatively large thermal expansion coefficient, metallic fuel has a unique potential for enhanced pre-failure expansion driven by retained fission gas and ingested bond sodium. In this paper, the authors present preliminary results from three direct electrical heating (DEH) experiments performed on irradiated metal fuel to investigate axial expansion behavior. The test samples were from Experimental Breeder Reactor II (EBR-II) driver fuel ML-11 irradiated to 8 at.% burnup. Preliminary analysis of the results suggest that enhanced expansion driven by trapped fission gas can occur

Influence of neutron irradiation on ferromagnetic metallic glasses

International Nuclear Information System (INIS)

Miglierini, M.; Nasu, Saburo; Sitek, J.

1992-01-01

Transmission 57 Fe Moessbauer spectroscopy is used to study effects of neutron irradiation on magnetic properties of Fe-based ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transformation from ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. Presence of Ni in the samples reduces the effects of radiation damage. (orig.)

Neutron irradiation damage in transition metal carbides

International Nuclear Information System (INIS)

Matsui, Hisayuki; Nesaki, Kouji; Kiritani, Michio

1991-01-01

Effects of neutron irradiation on the physical properties of light transition metal carbides, TiC x , VC x and NbC x , were examined, emphasizing the characterization of irradiation induced defects in the nonstoichiometric composition. TiC x irradiated with 14 MeV (fusion) neutrons showed higher damage rates with increasing C/Ti (x) ratio. A brief discussion is made on 'cascade damage' in TiC x irradiated with fusion neutrons. Two other carbides (VC x and NbC x ) were irradiated with fission reactor neutrons. The irradiation effects on VC x were not so simple, because of the complex irradiation behavior of 'ordered' phases. For instance, complete disordering was revealed in an ordered phase, 'V 8 C 7 ', after an irradiation dose of 10 25 n/m 2 . (orig.)

Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements

Czech Academy of Sciences Publication Activity Database

Gröger, Roman; Vítek, V.

2015-01-01

Roč. 643, SEP (2015), s. 203-210 ISSN 0921-5093 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : Screw dislocation * BCC metal * Dislocation pathway Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.647, year: 2015

Anelastic relaxation of interstitial foreign atoms and their complexes with intrinsic defects in B.C.C. metals

International Nuclear Information System (INIS)

Weller, M.

1985-01-01

In body-centred cubic metals, heavy interstitial foreign atoms (IFA) O, N and C give rise to relaxations of Snoek type. For dilute alloys, relaxation parameters are summarized. In concentrated alloys (group Va metals containing O or N) Snoek relaxations are influenced by the interaction of IFA. The recent controversy is discussed as to whether this interaction is based on clustering or anticlustering. In irradiated metals complexes of IFA with intrinsic atomic defects (vacancies or self interstitial atoms) also give rise to relaxations

Allotropic transformation bcc in equilibrium hcp in zirconium

International Nuclear Information System (INIS)

Akhtar, A.

1976-01-01

The allotropic transformation hcp(α) in equilibrium bcc(β) was examined in crystal bar zirconium. The β → α transformation is massive type in melt grown crystals of β--Zr. Upon thermal cycling through α → β → α the bcc → hcp transformation occurs frequently through a shear process and less frequently through a massive transformation. The presence of α → β transformation substructure may favor the operation of the shear mode. The hcp → bcc phase change occurs through a massive transformation. A lack of transformation memory is associated with the process of thermal cycling. 11 fig., 3 tables

Melting temperature and structural transformation of some rare-earth metals

International Nuclear Information System (INIS)

Vu Van Hung; Hoang Van Tich; Dang Thanh Hai

2009-01-01

the pressure dependence of the melting temperatures of rare-earth metals is studied using the equation of states derived from the statistical moment (SMM). SMM studies were carried out order to calculate the Helmholtz free energy of hcp, bcc Dy and fcc, bcc Ce metals at a wide range of temperatures. the stable phase of Dy and Ce metals can be determined by examining the Helmholtz free energy at a given temperature, i, e. the phase that gives the lowest free energy will be stable. For example, we found that at T lower than 1750 K the hcp Dy metal is stable. At T higher than 1750 K the bcc Dy metal is also stable. Thus 1750 K marks the phase transition temperature of Dy metal. These findings are in agreement with previous experiments. (author)

Irradiation performance of metallic fuels

International Nuclear Information System (INIS)

Pahl, R.G.; Lahm, C.E.; Porter, D.L.; Batte, G.L.; Hofman, G.L.

1989-01-01

Argonne National Laboratory has been working for the past five years to develop and demonstrate the Integral Fast Reactor (IFR) concept. The concept involves a closed system for fast-reactor power generation and on-site fuel reprocessing, both designed specifically around the use of metallic fuel. The Experimental Breeder Reactor-II (EBR-II) has used metallic fuel for all of its 25-year life. In 1985, tests were begun to examine the irradiation performance of advanced-design metallic fuel systems based on U-Zr or U-Pu-Zr fuels. These tests have demonstrated the viable performance of these fuel systems to high burnup. The initial testing program will be described in this paper. 2 figs

Metal fuel manufacturing and irradiation performance

International Nuclear Information System (INIS)

Pedersen, D.R.; Walters, L.C.

1992-01-01

The advances in metal fuel by the Integral Fast Reactor Program at Argonne National Laboratory are the subject of this paper. The Integral Fast Reactor (IFR) is an advanced liquid-metal-cooled reactor concept being developed at Argonne National Laboratory. The advances stressed in the paper include fuel irradiation performance, and improved passive safety. The goals and the safety philosophy of the Integral Fast Reactor Program are stressed

Behavior of high resistance to He{sup 2+} induced irradiation damage in metallic glass

Energy Technology Data Exchange (ETDEWEB)

Wang, Bin [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Hou, Wenjing; Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Wang, Zhiguang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Dong, Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2013-10-01

Highlights: •Metallic glasses and W were irradiated with 500 keV He{sup 2+} at different fluences. •Metallic glasses could maintain amorphous state at different irradiation fluences. •The resistance to He{sup 2+} irradiation of metallic glasses was superior to the one in W metal. •Cu- and Zr-based metallic glasses had better resistance to He{sup 2+} irradiation. -- Abstract: This study details the irradiation of various metallic glasses ((Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5}, Zr{sub 64}Cu{sub 17.8}Ni{sub 10.7}Al{sub 7.5}, Co{sub 61.2}B{sub 26.2}Si{sub 7.8}Ta{sub 4.8}) and metallic W using He{sup 2+} ions with an energy of 500 keV at irradiation fluences of 2 × 10{sup 17}, 1 × 10{sup 18} and 2 × 10{sup 18} ions/cm{sup 2} to investigate the radiation-resistant properties of these metallic glasses compared to the conventional irradiation-resistant material W. These three metallic glasses were able to maintain an amorphous state during these irradiation fluences. There was no significant irradiation damage at the low irradiation fluence. When the irradiation fluence was increased to 2 × 10{sup 18} ions/cm{sup 2}, a damage layer appeared up to a distance corresponding to the range of the ions away from the surfaces of the Cu- and Zr-based metallic glasses without any visible damage on the surface. Significant surface stripping damage appeared in the Co-based metallic glass. Relatively speaking, surface layer peeling appeared in metallic W along the crystal boundary at a fluence of 1 × 10{sup 18} ions/cm{sup 2}. When the fluence was increased to 2 × 10{sup 18} ions/cm{sup 2}, multilayer peeling, stripping, etc. appeared. The roughness of the Cu- and Zr-based metallic glass showed further smoothing with increasing fluence, while the opposite occurred in the Co-based metallic glass. Within the wavelength range of 400–1700 nm, after irradiation of He{sup 2+} at a fluence of 1 × 10{sup 18} ions/cm{sup 2}, the reflectance of the Cu-based and Co

Liquid metal reactor core material HT9

International Nuclear Information System (INIS)

Kim, S. H.; Kuk, I. H.; Ryu, W. S. and others

1998-03-01

A state-of-the art is surveyed on the liquid metal reactor core materials HT9. The purpose of this report is to give an insight for choosing and developing the materials to be applied to the KAERI prototype liquid metal reactor which is planned for the year of 2010. In-core stability of cladding materials is important to the extension of fuel burnup. Austenitic stainless steel (AISI 316) has been used as core material in the early LMR due to the good mechanical properties at high temperatures, but it has been found to show a poor swelling resistance. So many efforts have been made to solve this problem that HT9 have been developed. HT9 is 12Cr-1MoVW steel. The microstructure of HT9 consisted of tempered martensite with dispersed carbide. HT9 has superior irradiation swelling resistance as other BCC metals, and good sodium compatibility. HT9 has also a good irradiation creep properties below 500 dg C, but irradiation creep properties are degraded above 500 dg C. Researches are currently in progress to modify the HT9 in order to improve the irradiation creep properties above 500 dg C. New design studies for decreasing the core temperature below 500 dg C are needed to use HT9 as a core material. On the contrary, decrease of the thermal efficiency may occur due to lower-down of the operation temperature. (author). 51 refs., 6 tabs., 19 figs

Magnetism of CrO overlayers on Fe(001)bcc surface: first principles calculations

Science.gov (United States)

Félix-Medina, Raúl Enrique; Leyva-Lucero, Manuel Andrés; Meza-Aguilar, Salvador; Demangeat, Claude

2018-04-01

Riva et al. [Surf. Sci. 621, 55 (2014)] as well as Calloni et al. [J. Phys.: Condens. Matter 26, 445001 (2014)] have studied the oxydation of Cr films deposited on Fe(001)bcc through low-energy electron diffraction, Auger electron spectroscopy and scanning tunneling microscopy. In the present work we perform a density functional approach within Quantum Expresso code in order to study structural and magnetic properties of CrO overlayers on Fe(001)bcc. The calculations are performed using DFT+U. The investigated systems include O/Cr/Fe(001)bcc, Cr/O/Fe(001)bcc, Cr0.25O0.75/Fe(001)bcc, as well as the O coverage Ox/Cr/Fe(001)bcc (x = 0.25; 0.50). We have found that the ordered CrO overlayer presents an antiferromagnetic coupling between Cr and Fe atoms. The O atoms are located closer to the Fe atoms of the surface than the Cr atoms. The ground state of the systems O/Cr/Fe(001)bcc and Cr/O/Fe(001)bcc corresponds to the O/Cr/Fe(001)bcc system with a magnetic coupling c(2 × 2). The effect of the O monolayer on Cr/Fe(001)bcc changes the ground state from p(1 × 1) ↓ to c(2 × 2) and produces an enhancement of the magnetic moments. The Ox overlayer on Cr/Fe(001)bcc produces an enhancement of the Cr magnetic moments.

Atomistic model application to the problem of magnetite adhesion on iron BCC

International Nuclear Information System (INIS)

Forti; M; Alonso, P; Gargano, P; Rubiolo, G

2012-01-01

Oxide scale adhesion on a metal substrate has been investigated in the Magnetite - BCC Iron system. An Universal Binding Energy Relation (UBER) has been applied to obtain the interface energy from a fitting parameter. The interface energy thus calculated is in a reasonable order of magnitude when compared to experimental data for similar systems. This result allows this technique to be used to develop a comparative scale based on quantitative data which otherwise would require complex experiments to be obtained (author)

Investigation of irradiation strengthening of b.c.c. metals and their alloys. Progress report, January 1975--October 1975

International Nuclear Information System (INIS)

1975-01-01

Results of studies on radiation strengthening of V, Mo, and Nb are presented. Information is included on deformation characteristics of low-temperature neutron-irradiated Nb, the effects of He 3+ on the low-temperature deformation characteristics of Nb, electron-transmission microscopic studies of the nature of neutron damage effects of post-irradiation annealing, microplasticity, thermally activated dislocation motion, production of high-purity Nb and V, early stages of flow in Mo, microplasticity in V, and effects of impurity interstitials on the lattice resistance to dislocation motion. (JRD)

The effects of irradiation on structural metals according to Geneva Proceedings

International Nuclear Information System (INIS)

Klersy, R.

1956-01-01

The author proposes a critical synthesis of contributions to Geneva Proceedings: a Russian one (The effect of irradiation on the structure and properties of the structural materials), a British one (Radiation damage in non-fissile materials), an American one (The theory of lattice displacements produced during irradiation), and some others sometimes evoked. After a brief assessment of the experimental and theoretical interest of these contributions, the author addresses various issues and outlines how these contributions addressed them: mechanical and thermal tests (elasticity modulus, dilatation, failure characteristics of pure metals and alloys, resilience, hardness, effect of radiation on hardness of metals previously submitted to various strain hardening, creep, fatigue), resistivity of pure metals (copper, iron, cobalt, nickel, tungsten) submitted to deuteron or proton irradiation, behaviour of ordered alloys, recovery of irradiation effects

Angular forces and melting in bcc transition metals: A case study of molybdenum

International Nuclear Information System (INIS)

Moriarty, J.A.

1994-01-01

Both the multi-ion and effective pair potentials also permit a large amount of supercooling of the liquid before the onset of freezing. With v 2 eff a bcc structure is nucleated at freezing, while with the multi-ion potentials an amorphous glasslike structure is obtained, which appears to be related to the energetically competitive A15 structure. In our second approach to melting, the multi-ion potentials have been used to obtain accurate solid and liquid free energies from quasiharmonic lattice dynamics and MD calculations of thermal energies and pressures. The resulting ion-thermal melting curve exactly overlaps the dynamically observed melting point, indicating that no superheating of the solid occurred in our MD simulations. To obtain a full melting curve, electron-thermal contributions to the solid and liquid free energies are added in terms of the density of electronic states at the Fermi level, ρ(E F ). Here the density of states for the solid has been calculated with the linear-muffin-tin-orbital method, while for the liquid tight-binding calculations have been used to justify a simple model. In the liquid ρ(E F ) is increased dramatically over the bcc solid, and the net effect of the electron-thermal contributions is to lower the calculated melting temperatures by about a factor of 2. A full melting curve to 2 Mbar has thereby been obtained and the calculated melting properties near zero pressure are in generally good agreement with experiment

Swelling and tensile properties of EBR-II-irradiated tantalum alloys for space reactor applications

International Nuclear Information System (INIS)

Grossbeck, M.L.; Wiffen, F.W.

1985-01-01

The tantalum alloys T-111, ASTAR-811C, Ta-10 W, and unalloyed tantalum were examined following EBR-II irradiation to a fluence of 1.7 x 10 26 neutrons/m 2 (E > 0.1 MeV) at temperatures from 650 to 950 K. Swelling was found to be negligible for all alloys; only tantalum was found to exhibit swelling, 0.36%. Tensile testing revealed that irradiated T-111 and Ta-10 W are susceptible to plastic instability, but ASTAR-811C and tantalum were not. The tensile properties of ASTAR-811C appeared adequate for current SP-100 space nuclear reactor designs. Irradiated, oxygen-doped T-111 exhibited no plastic deformation, and the abrupt failure was intergranular in nature. The absence of plastic instability in ASTAR-811C is encouraging for alloys containing carbide precipitates. These fine precipitates might prevent dislocation channeling, which leads to plastic instability in many bcc metals after irradiation. 10 refs., 13 figs., 8 tabs

Spheroidization behavior of dendritic b.c.c. phase in Zr-based モ-phase composite

Directory of Open Access Journals (Sweden)

Sun Guoyuan

2013-03-01

Full Text Available The spheroidization behavior of the dendritic b.c.c. phase dispersed in a bulk metallic glass (BMG matrix was investigated through applying semi-solid isothermal processing and a subsequent rapid quenching procedure to a Zr-based モ-phase composite. The Zr-based composite with the composition of Zr56.2Ti13.8Nb5.0Cu6.9Ni5.6Be12.5 was prefabricated by a water-cooled copper mold-casting method and characterized by X-ray diffraction (XRD and scanning electron microscope (SEM. The results show that the composite consists of a glassy matrix and uniformly distributed fine dendrites of the モ-Zr solid solution with the body-centered-cubic (b.c.c. structure. Based on the differential scanning calorimeter (DSC examination results, and in view of the b.c.c. モ-Zr to h.c.p. メ-Zr phase transition temperature, a semi-solid holding temperature of 900 ìC was determined. After reheating the prefabricated composite to the semi-solid temperature, followed by an isothermal holding process at this temperature for 5 min, and then quenching the semi-solid mixture into iced-water; the two-phase microstructure composed of a BMG matrix and uniformly dispersed spherical b.c.c. モ-Zr particles with a high degree of sphericity was achieved. The present spheroidization transition is a thermodynamically autonomic behavior, and essentially a diffusion process controlled by kinetic factors; and the formation of the BMG matrix should be attributed to the rapid quenching of the semi-solid mixture as well as the large glass-forming ability of the remaining melt in the semi-solid mixture.

On Weak-BCC-Algebras

Science.gov (United States)

Thomys, Janus; Zhang, Xiaohong

2013-01-01

We describe weak-BCC-algebras (also called BZ-algebras) in which the condition (x∗y)∗z = (x∗z)∗y is satisfied only in the case when elements x, y belong to the same branch. We also characterize ideals, nilradicals, and nilpotent elements of such algebras. PMID:24311983

Irradiation behavior of metallic fast reactor fuels

International Nuclear Information System (INIS)

Pahl, R.G.; Porter, D.L.; Crawford, D.C.; Walters, L.C.

1991-01-01

Metallic fuels were the first fuels chosen for liquid metal cooled fast reactors (LMR's). In the late 1960's world-wide interest turned toward ceramic LMR fuels before the full potential of metallic fuel was realized. However, during the 1970's the performance limitations of metallic fuel were resolved in order to achieve a high plant factor at the Argonne National Laboratory's Experimental Breeder Reactor II. The 1980's spawned renewed interest in metallic fuel when the Integral Fast Reactor (IFR) concept emerged at Argonne National Laboratory. A fuel performance demonstration program was put into place to obtain the data needed for the eventual licensing of metallic fuel. This paper will summarize the results of the irradiation program carried out since 1985

Skin dose and response for the head and neck in patients irradiated with x-ray for tinea capitis: implications for environmental radioactivity

International Nuclear Information System (INIS)

Harley, N.H.; Kolber, A.B.; Shore, R.E.; Albert, R.E.; Altman, S.M.; Pasternack, B.S.

1983-01-01

The dose delivered to the skin of the head and neck in patients treated with x-ray irradiation for childhood tinea capitis was reconstructed. This was possible by utilizing a phantom made from the skull of a seven year old child and irradiating it with the same technique and x-ray machine used in tinea capitis therapy two to four decades ago. Seventy-eight basal cell carcinomas (BCC) have appeared so far in 40 of 1727 irradiated white children and none in 500 irradiated black children. The dose distribution over the face and scalp is used to estimate the risk of BCC per person per rad. These results must be considered preliminary due to the relatively young age of the irradiated group (<50 years) at the present time. From the decreased risk per rad for the portion of the scalp that is hair covered, it appears that environmental ultraviolet radiation may play a key role in the expression of BCC. A cumulative hazard plot is utilized to tentatively extend the data to lifetime risk of 0.003 per rad with an upper limit of 0.006 per rad. Environmental radiation dose to the skin possibly account for 20% of observed BCC if this tentative risk estimate is valid

Testing of neutron-irradiated ceramic-to-metal seals

International Nuclear Information System (INIS)

Brown, R.D.; Clinard, F.W. Jr.; Lopez, M.R.; Martinez, H.; Romero, T.J.; Cook, J.H.; Barr, H.N.; Hittman, F.

1990-01-01

This paper reports on ceramic-to-metal seals prepared by sputtering a titanium metallizing layer onto ceramic disks and then brazing to metal tubes. The ceramics used were alumina, MACOR, spinel, AlON, and a mixture of Al 2 O 3 and Si 3 N 4 . Except for the MACOR, which was brazed to a titanium tube, the ceramics were brazed to niobium tubes. The seals were leak tested and then sent to Los Alamos National Laboratory, where they were irradiated using the spallation neutron source at the Los Alamos Meson Physics Facility. Following irradiation for ∼ 90 days to a fluence of 2.8 x 10 23 n/m 2 , the samples were moved to hot cells and again leak tested. Only the MACOR samples showed any measurable leaks. One set of samples was then pressurized to 6.9 MPa (1000 psi) and subsequently leak tested. No leaks were found. Bursting the seals required hydrostatic pressures of at least 34 MPa (5000 psi). The high seal strength and few leaks indicate that ceramic-to-metal seals can resist radiation-induced degradation

The development of BCC

International Nuclear Information System (INIS)

He Xiaoping; Yang Hailiang; Sun Jianfeng; Ren Shuqing; Zhang Jiasheng; Shi Lei; Peng Jianchang; Li Hongyu; Qiu Aici; Tang Junping; Xi'an Jiaotong Univ., Xi'an

2004-01-01

An analysis of principle of a BCC for measuring ion beam density and the main reasons related to the measuring accuracy were presented. An array of 13 biased charge collecrors was designed for the measurement of ion beam density of 'FLASH-II' high power ion beam source, and the data of experiments was analyzed. (authors)

Fission neutron damage rates and efficiencies in several metals

International Nuclear Information System (INIS)

Klabunde, C.E.; Coltman, R.R. Jr.

1981-11-01

Initial rates of resistivity-measured low-temperature damage production by fission-spectrum fast neutrons have been determined for 14 metals in the same very well characterized irradiation facility. Six of these metals were fcc, 5 bcc, and 3 hcp. Most were of quite high purity. Observed damage rates, after correction for all known extraneous resistivity-producing effects, were compared with rates predicted by the damage calculation code RECOIL, using parameters chosen from the literature. These parameters, effective displacement threshold energy, E/sub d/, and Frenkel-pair resistivity, rho/sub F/, were in many cases only best estimates, the further refinement of which may be aided by the present results. Damage efficiencies (measured/predicted rates) follow the same trends by crystal classes as seen in other fast-neutron studies

Ion irradiation effect on metallic condensate adhesion to glass

International Nuclear Information System (INIS)

Kovalenko, V.V.; Upit, G.P.

1984-01-01

The ion irradiation effect on metallic condensate adhesion to glass is investigated. It has been found that in case of indium ion deposition the condensate adhesion to glass cleavages being in contact with atmosphere grows up to the level corresponding to a juvenile surface while in case of argon ion irradiation - exceeds it. It is shown that the observed adhesion growth is determined mainly by the surfwce modification comparising charge accumulation on surface, destruction of a subsurface layer and an interlayer formation in the condensate-substrate interface. The role of these factors in the course of various metals deposition is considered

The incidence of metastatic basal cell carcinoma (mBCC) in Denmark, 1997-2010.

Science.gov (United States)

Nguyen-Nielsen, Mary; Wang, Lisa; Pedersen, Lars; Olesen, Anne Braae; Hou, Jeannie; Mackey, Howard; McCusker, Margaret; Basset-Seguin, Nicole; Fryzek, Jon; Vyberg, Mogens

2015-01-01

Few data exist on the occurrence of metastatic basal cell carcinoma (mBCC). To identify all cases of mBCC in Denmark over a 14-year period. We searched the Danish National Patient Registry covering all Danish hospitals, the Danish Cancer Registry, the National Pathology Registry and the Causes of Death Registry during the period 1997 to 2010 for potential cases of mBCC registered according to the International classification of diseases ICD-10 and the International Systemized Nomenclature of Medicine (SNOMED). We identified 126,627 patients with a history of primary basal cell carcinoma (BCC) in the registries during the 14-year study period. Using case identifications from the four registries, a total of 170 potential mBCC cases were identified. However, after a pathology review, only five cases could be confirmed, of which three were basosquamous carcinomas. The 14-year cumulative incidence proportion of mBCC was 0.0039% (95% CI 0.0016-0.0083) among individuals with a history of previous BCC (n = 126,627) and 0.0001% (95% CI 0.0000-0.0002) in the general population. MBCC is a rare disease and only a small proportion of potential cases identified in automated clinical databases or registries can be confirmed by pathology and medical record review.

Helium bubbles in bcc Fe and their interactions with irradiation

Energy Technology Data Exchange (ETDEWEB)

Gai, Xiao, E-mail: X.Gai@lboro.ac.uk; Lazauskas, Tomas; Smith, Roger; Kenny, Steven D.

2015-07-15

The properties of helium bubbles in a body-centred cubic (bcc) Fe lattice have been examined. The atomic configurations and formation energies of different He–vacancy complexes were determined. The 0 K results show that the most energetically favourable He to Fe vacancy ratio increases from about 1:1 for approximately 5 vacancies up to about 4:1 for 36 vacancies. The formation mechanisms for small He clusters have also been considered. Isolated interstitials and small clusters can diffuse quickly through the lattice. MD simulations of randomly placed interstitial He atoms at 500 K showed clustering over the time scale of nanoseconds with He clusters containing up to 4 atoms being mobile over this time scale. He clusters containing 4 or 5 atoms were shown to eject an Fe dumbbell interstitial which could then detach from the He cluster and diffuse with the remaining He–vacancy complex being effectively immobile. Collision cascades initiated near larger bubbles showed that Fe vacancies produced by the cascades readily become part of the He–vacancy complexes. Energy barriers for He to join an existing bubble as a function of the He–vacancy ratio are also calculated. These can be larger than the diffusion barrier in the pristine lattice, but are lower when the bubbles contain excess vacancies, thus indicating that bubble growth may be kinetically constrained.

Radiation hardening of metals irradiated by heavy ions

International Nuclear Information System (INIS)

Didyk, A.Yu.; Skuratov, V.A.; Mikhajlova, N.Yu.; Regel', V.R.

1988-01-01

The damage dose dependence in the 10 -4 -10 -2 dpa region of radiation hardening of Al, V, Ni, Cu irradiated by xenon ions with 124 MeV energy is investigated using the microhardness technique and transmission electron microscope. It is shown that the pure metals radiation hardening is stimulated for defects clusters with the typical size less than 5 nm, as in the case of neutron and the light charge ion irradiation

Model for the evolution of network dislocation density in irradiated metals

International Nuclear Information System (INIS)

Garner, F.A.; Wolfer, W.G.

1982-01-01

It is a well-known fact that the total dislocation density that evolves in irradiated metals is a strong function of irradiation temperature. The dislocation density comprises two components, however, and only one of these (Frank loops) retains its temperature dependence at high fluence. The network dislocation density approaches a saturation level which is relatively insensitive to starting microstructure, stress, irradiation temperature, displacement rate and helium level. The latter statement is supported in this paper by a review of published microstructural data. A model has been developed to explain the insensitivity to many variables of the saturation network dislocation density in irradiated metals. This model also explains how the rate of approach to saturation can be sensitive to displacement rate and temperature while the saturation level itself is not dependent on temperature

Crystal plasticity model for BCC iron atomistically informed by kinetics of correlated kinkpair nucleation on screw dislocation

Science.gov (United States)

Narayanan, Sankar; McDowell, David L.; Zhu, Ting

2014-04-01

The mobility of dislocation in body-centered cubic (BCC) metals is controlled by the thermally activated nucleation of kinks along the dislocation core. By employing a recent interatomic potential and the Nudged Elastic Band method, we predict the atomistic saddle-point state of 1/2 screw dislocation motion in BCC iron that involves the nucleation of correlated kinkpairs and the resulting double superkinks. This unique process leads to a single-humped minimum energy path that governs the one-step activation of a screw dislocation to move into the adjacent {110} Peierls valley, which contrasts with the double-humped energy path and the two-step transition predicted by other interatomic potentials. Based on transition state theory, we use the atomistically computed, stress-dependent kinkpair activation parameters to inform a coarse-grained crystal plasticity flow rule. Our atomistically-informed crystal plasticity model quantitatively predicts the orientation dependent stress-strain behavior of BCC iron single crystals in a manner that is consistent with experimental results. The predicted temperature and strain-rate dependencies of the yield stress agree with experimental results in the 200-350 K temperature regime, and are rationalized by the small activation volumes associated with the kinkpair-mediated motion of screw dislocations.

Radiation hardening and embrittlement of some refractory metals and alloys

International Nuclear Information System (INIS)

Fabritsiev, S.; Pokrovskyb

2007-01-01

Tungsten is proposed for application in the ITER divertor and limiter as plasma facing material. The tungsten operation temperature in the ITER divertor is relatively high. Hence, the ductile properties of tungsten will be controlled by the low temperature radiation embrittlement. The mechanism of radiation hardening and embrittlement under neutron irradiation at low temperature is well studied for FCC metals, in particular for copper. At the same time, low-temperature radiation hardening of BCC materials, in particular for refractory metals, is less studied. This study presents the results of investigation into radiation hardening and embrittlement of pure metals: W, Mo and Nb, and W-Re and Ta-4W alloys. The materials were in the annealed conditions. The specimens were irradiated in the SM-2 reactor to doses of 10 -4 -10 -1 dpa at 80 C and then tested for tension at 80 C. The study of the stress-strain curves of unirradiated specimens revealed a yield drop for W, Mo, Nb, Ta-4W, W-Re. After the yield drop some metals (Mo,Nb) retain their capability for strain hardening and demonstrate a high elongation (20-50%). Radiation hardening is maximum in Mo (∝400MPa) and minimum in Nb (∝100 MPa). In this case the dependence slope for Nb is similar to that for pure copper irradiated in SM-2 under the same conditions. Ii and Ta-4W have a higher slope. Measurement of electrical resistivity of irradiated specimens showed that for all materials it is increased monotonously with an increase in the irradiation dose. A minimum gain in electrical resistivity with a dose was observed for Nb (∝3% at 0.1 dpa). As for Mo it was essentially higher, i.e. ∝ 30%. The gain was maximum for W-Re alloy. Comparison of radiation hardening dose dependencies obtained in this study with the data for FCC metals (Cu) showed that in spite of the quantitative difference the qualitative behavior of these two classes of metals is similar. (orig.)

Multiscale modeling of dislocation processes in BCC tantalum: bridging atomistic and mesoscale simulations

International Nuclear Information System (INIS)

Yang, L H; Tang, M; Moriarty, J A

2001-01-01

Plastic deformation in bcc metals at low temperatures and high-strain rates is controlled by the motion of a/2 screw dislocations, and understanding the fundamental atomistic processes of this motion is essential to develop predictive multiscale models of crystal plasticity. The multiscale modeling approach presented here for bcc Ta is based on information passing, where results of simulations at the atomic scale are used in simulations of plastic deformation at mesoscopic length scales via dislocation dynamics (DD). The relevant core properties of a/2 screw dislocations in Ta have been obtained using quantum-based interatomic potentials derived from model generalized pseudopotential theory and an ab-initio data base together with an accurate Green's-function simulation method that implements flexible boundary conditions. In particular, the stress-dependent activation enthalpy for the lowest-energy kink-pair mechanism has been calculated and fitted to a revealing analytic form. This is the critical quantity determining dislocation mobility in the DD simulations, and the present activation enthalpy is found to be in good agreement with the previous empirical form used to explain the temperature dependence of the yield stress

Volumes of virtual modifications and virtual polymorphous transformations in transition metals under pressure

International Nuclear Information System (INIS)

Zil'bershtejn, V.A.; Zaretskij, L.B.; Ehstrin, Eh.I.

1975-01-01

To find out what phases are likely to occur under pressure, it is necessary to know the relative density of various modifications, that is the ratio of the volumes of stable and virtual modifications and generally speaking the ratio of the phase compressibility. If the virtual phase volume is less than the volume of the stable phase, then such a phase is likely to appear under pressure. A method has been developed for computing the volumes of the virtual modifications from the data on the solid solutions lattice parameters. Testing the applicability of the method for a number of systems with a complete mutual solubility has shown, that the method proposed permits to estimate the volumes of the transition metals virtual modifications with the error probably not exceeding 1%. The analysis was made of the data available on the solid solutions of transition metals with fcc-, bcc- and hcp-lattices. The virtual volumes have been computed for hcp-iridium, hcp-rhodium, hcp-molybdenum, fcc-molybdenum, fcc-chromium, bcc-rhenium, bcc-ruthenium and bcc-technetium. The data obtained on the virtual modifications volumes permit to assume that the pressure increase is likely to result in the phase transformations of fcc-hcp in iridium and rhodium, and bcc-hcp in molybdenum, while evidently the transformations of bcc-fcc in molybdenum and chromium, hcp-bcc in technetium, rhenium and ruthenium are impossible. The pressure resulting in the transformations in the metals investigated equals approximately hundreds of kbar, or even approximately 1 Mbar for Ir

Electrical conductivity tensor of an irradiated metal

International Nuclear Information System (INIS)

Corciovei, A.; Dumitru, R.D.

1979-01-01

A method to calculate the electrical conductivity tensor of an irradiated metal is presented. The proposed method relies on the use of the Kubo formula, evaluated by a perturbation method. The one electron Hamiltonian is written as a sum of two terms: the Hamiltonian of the conduction electrons moving in a periodic lattice and the perturbation, namely, the scattering potential due to the irradiation defects of the ideal crystal. Then, the lowest order of the conductivity is determined by the lowest order of the Laplace transform of the current. An integral equation is written for this last quantity. (author)

Irradiation tests of 99Mo isotope production targets employing uranium metal foils

International Nuclear Information System (INIS)

Hofman, G.L.; Wiencek, T.C.; Wood, E.L.; Snelgrove, J.L.; Suripto, A.; Nasution, H.; Lufti-Amin, D.; Gogo, A.

1996-01-01

Most of the world's supply of 99 mTc for medical purposes is currently produced from the decay of 99 Mo derived from the fissioning of high-enriched uranium (HEU). Substitution of low-enriched uranium (LEU) metal foils for the HEU UO 2 used in current target designs will allow equivalent 99 Mo yields with little change in target geometries. Substitution of uranium metal for uranium alloy and aluminide in other target designs will also allow the conversion of HEU to LEU. Several uranium-metal-foil targets have been fabricated at ANL and irradiated to prototypic burnup in the Indonesian RSG-GAS reactor. Postirradiation examination of the initial test indicated that design modifications were required to allow the irradiated foil to be removed for chemical processing. The latest test has shown good irradiation behavior, satisfactory dismantling and foil removal when the U-foil is separated from its containment by metallic, fission-recoil absorbing barriers. (author)

Irradiation tests of 99Mo isotope production targets employing uranium metal foils

International Nuclear Information System (INIS)

Hofman, G.L.; Wiencek, T.C.; Wood, E.L.; Snelgrove, J.L.; Suripto, A.; Nasution, H.; Lufti-Amin, D.; Gogo, A.

1996-01-01

Most of the world's supply of 99m Tc for medical purposes is currently produced form the decay of 99 Mo derived from the fissioning of high-enriched uranium (HEU). Substitution of low-enriched uranium (LEU) metal foils for the HEU UO 2 used in current target designs will allow equivalent 99 Mo yields with little change in target geometries. Substitution of uranium metal for uranium alloy and aluminide in other target designs will also allow the conversion of HEU to LEU. Several uranium-metal-foil targets have been fabricated at ANL and irradiated to prototypic burnup in the Indonesian RSG-GAS reactor. Postirradiation examination of the initial test indicated that design modifications were required to allow the irradiated foil to be removed for chemical processing. The latest test has shown good irradiation behavior, satisfactory dismantling and foil removal when the U-foil is separated from its containment by metallic, fission-recoil absorbing barriers

High dose effects in neutron irradiated face-centered cubic metals

International Nuclear Information System (INIS)

Garner, F.A.; Toloczko, M.B.

1993-06-01

During neutron irradiation, most face-centered cubic metals and alloys develop saturation or quasi-steady state microstructures. This, in turn, leads to saturation levels in mechanical properties and quasi-steady state rates of swelling and creep deformation. Swelling initially plays only a small role in determining these saturation states, but as swelling rises to higher levels, it exerts strong feedback on the microstructure and its response to environmental variables. The influence of swelling, either directly or indirectly via second order mechanisms, such as elemental segregation to void surfaces, eventually causes major changes, not only in irradiation creep and mechanical properties, but also on swelling itself. The feedback effects of swelling on irradiation creep are particularly complex and lead to problems in applying creep data derived from highly pressurized creep tubes to low stress situations, such as fuel pins in liquid metal reactors

Freezing of liquid alkali metals as screened ionic plasmas

International Nuclear Information System (INIS)

Badirkhan, Z.; Rovere, M.; Tosi, M.P.

1990-08-01

The relationship between Wigner crystallization of the classical ionic plasma and the liquid-solid transition of alkali metals is examined within the density wave theory of freezing. Freezing of the classical plasma on a rigid neutralizing background into the bcc structure is first re-evaluated, in view of recent progress in the determination of its thermodynamic functions by simulation and of the known difficulties of the theory relating to the order parameter at the (200) star of reciprocal lattice vectors. Freezing into the fcc structure is also considered in this context and found to be unfavoured. On allowing for long-wavelength deformability of the background, the ensuing appearance of a volume change on freezing into the bcc structure is accompanied by reduced stability of the fluid phase and by an increase in the entropy of melting. Freezing of alkali metals into the bcc structure is next evaluated, taking their ionic pair structure as that of an ionic plasma reference fluid screened by conduction electrons and asking that the correct ionic coupling strength at liquid-solid coexistence should be approximately reproduced. The ensuring values of the volume and entropy changes across the phase transition, as estimated from the theory by two alternative routes, are in reasonable agreement with experiment. The order parameters of the phase transition, excepting the (200) one, conform rather closely to a Gaussian behaviour and yield a Lindemann ratio in reasonable agreement with the empirical value for melting of bcc crystals. It is suggested that ionic ordering at the (200) star in the metal may be (i) assisted by medium range ordering in the conduction electrons, as indicated by differences in X-ray and neutron diffraction intensities from the liquid, and/or (ii) quite small in the hot bcc solid. Such a possible premelting behaviour of bcc metals should be worth testing experimentally by diffraction. (author). 48 refs, 1 fig., 1 tab

Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011)B3 single-crystal substrates

International Nuclear Information System (INIS)

Ohtake, Mitsuru; Higuchi, Jumpei; Yabuhara, Osamu; Kirino, Fumiyoshi; Futamoto, Masaaki

2011-01-01

Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011) B3 single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar] bcc || GaAs(011)[011-bar] B3 . The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{011} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011) B3 substrates.

Irradiation effect on leaching behavior and form of heavy metals in fly ash of municipal solid waste incinerator

International Nuclear Information System (INIS)

Nam, Sangchul; Namkoong, Wan

2012-01-01

Highlights: ► No research has been done to examine effect of electron beam irradiation on leaching behavior of heavy metals in fly ash. ► Electron beam irradiation on fly ash had significant effect on heavy metal leaching. ► Leaching potential of heavy metals in fly ash differed among metal species tested (Pb, Zn, Cu). ► Metal forms in the ash were analyzed to explain the difference. ► The difference could be explained by metal form change. - Abstract: Fly ash from a municipal solid waste incinerator (MSWI) is commonly classified as hazardous waste. High-energy electron beam irradiation systems have gained popularity recently as a clean and promising technology to remove environmental pollutants. Irradiation effects on leaching behavior and form of heavy metals in MSWI fly ash have not been investigated in any significant detail. An electron beam accelerator was used in this research. Electron beam irradiation on fly ash significantly increased the leaching potential of heavy metals from fly ash. The amount of absorbed dose and the metal species affected leaching behavior. When electron beam irradiation intensity increased gradually up to 210 kGy, concentration of Pb and Zn in the leachate increased linearly as absorbed dose increased, while that of Cu underwent no significant change. Concentration of Pb and Zn in the leachate increased up to 15.5% (10.7 mg/kg), and 35.6% (9.6 mg/kg) respectively. However, only 4.8% (0.3 mg/kg) increase was observed in the case of Cu. The results imply that irradiation has significant effect on the leaching behavior of heavy metals in fly ash, and the effect is quite different among the metal species tested in this study. A commonly used sequential extraction analysis which can classify a metal species into five forms was conducted to examine any change in metal form in the irradiated fly ash. Notable change in metal form in fly ash was observed when fly ash was irradiated. Change in Pb form was much greater than that of

Evolution of microstructure in face centered cubic metals during irradiation: A review

International Nuclear Information System (INIS)

Garner, F.A.

1993-06-01

When fcc metals and alloys are irradiated at elevated temperatures, they tend to evolve toward saturation microstructures that are independent of the starting state of the metal and the early details of irradiation history. This leads to property changes and rates of dimensional change that also eventually become independent of the starting state. The evolution of microstructure in complex alloys, especially during the transient regime, is usually determined by the complex interaction of many microstructural and microchemical processes. The more complex the alloy, the more difficult it is to-identify and define the separate influence of each participating mechanism. The use of irradiation studies conducted on simple metals or model alloys assists in understanding the behavior of alloys of engineering relevance. A review of such studies shows that a number of prevailing perceptions of radiation-induced microstructural evolution are not universally correct

Metal adsorption of gamma-irradiated carboxymethyl cellulose/polyethylene oxide blend films

Science.gov (United States)

El-Naggar, Amal A.; Magida, M. M.; Ibrahim, Sayeda M.

2016-03-01

Blend films of different ratios of carboxymethyl cellulose (CMC)/polyethylene oxide (PEO) were prepared by the solution casting method. To investigate the effect of irradiation on all properties of prepared blend, it was exposed to different gamma irradiation doses (10, 20, and 30 kGy). Physical properties such as gel fraction (GF) (%) and swelling (SW) (%) were investigated. It was found that the GF (%) increases with increasing irradiation dose up to 20 kGy, while SW (%) decreases with an increase in the irradiation doses for all blend compositions. Moreover, the structural and mechanical properties of the prepared films were studied. The results of the mechanical properties obtained showed that there is an improvement in these properties with an increase in both CMC and irradiation dose up to 20 kGy. The efficiency of metal ions uptake was measured using a UV spectrophotometer. The prepared films showed good tendency to absorb and release metal ions from aqueous media. Thus, the CMC/PEO film can be used in agricultural domain.

Comparison of damage microstructures in neutron-irradiated vanadium and iron

International Nuclear Information System (INIS)

Horton, L.L.; Farrell, K.

1983-01-01

The cavity morphology and dislocation loop geometry in bcc vanadium are compared with the previously reported observations for neutron-irradiated iron. The specimens were vanadium (V) with 100 wppM of interstitial impurities and vanadium with boron carbide additions (V-B 4 C) which were irradiated to approx. 1 dpa in the same Oak Ridge Research Reactor capsules as the iron specimens

Optical properties of bcc d-transition metals

Energy Technology Data Exchange (ETDEWEB)

Kirillova, M M; Nomerovannaya, L V [AN SSSR, Sverdlovsk. Inst. Fiziki Metallov

1978-04-01

The optical properties of a niobium monocrystal in the spectral range of h..nu..=4.66 - 0.069 eV have been studied using the polarimetry method. The obtained results have been discussed on the basis of the zone calculations of the density of electron states for Nb and other isostructural metals of the 5 and 6 groups (Y, Ta, Cr, Mo, W). The existence of an intense low energy interband absorption in niobium in the range of h..nu..<0.1 eV is shown experimentally. The influence of the gapless and low-energy interzone transitions on the evaluations of the plasma and relaxation frequencies of conductivity electrons of d metals is discussed.

Damage induced by helium ion irradiation in Fe-based metallic glass

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xiaonan; Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn; Zhang, Qi; Li, Xiaona; Qiang, Jianbing; Wang, Younian

2017-07-15

The changes in structure and surface morphology of metallic glasses Fe{sub 80}Si{sub 7.43}B{sub 12.57} and Fe{sub 68}Zr{sub 7}B{sub 25} before and after the irradiation of He ions with the energy of 300 keV were investigated, and were compared with that of the tungsten. The results show that after the He{sup 2+} irradiation, metallic glass Fe{sub 68}Zr{sub 7}B{sub 25} still maintained amorphous. While a small amount of metastable β-Mn type phase nanocrystals formed in metallic glass Fe{sub 80}Si{sub 7.43}B{sub 12.57} at the fluence of 4.0 × 10{sup 17}ions/cm{sup 2} (19dpa). The nanocrystals transformed into α-Fe phase and tetragonal Fe{sub 2}B phase as the fluence increased to 1.0 × 10{sup 18}ions/cm{sup 2} (47dpa). Then the new orthogonal Fe{sub 3}B phase and β-Mn type phase nanocrystals appeared when the fluence increased further, and the quantities of nanocrystals increased. Blisters and cracks appeared on the surface of tungsten under the irradiation fluence of 1.0 × 10{sup 18}ions/cm{sup 2}, however only when the fluence was up to 1.6 × 10{sup 18}ions/cm{sup 2}, could cracks and spalling appear on the surfaces of metallic glasses. - Highlights: •Metallic glass Fe{sub 68}Zr{sub 7}B{sub 25} could maintain amorphous state after the irradiation. •A series of crystallization behaviors occurred in metallic glass Fe{sub 80}Si{sub 7.43}B{sub 12.57}. •The surface of tungsten appeared blisters at the fluence of 1.0 × 10{sup 18} ions/cm{sup 2}. •Surfaces of Fe-based metallic glasses cracked at the fluence of 1.6 × 10{sup 18}ions/cm{sup 2}.

Fission gas retention in irradiated metallic fuel

International Nuclear Information System (INIS)

Fenske, G.R.; Gruber, E.E.; Kramer, J.M.

1987-01-01

Theoretical calculations and experimental measurements of the quantity of retained fission gas in irradiated metallic fuel (U-5Fs) are presented. The calculations utilize the Booth method to model the steady-state release of gases from fuel grains and a simplified grain-boundary gas model to predict the gas release from intergranular regions. The quantity of gas retained in as-irradiated fuel was determined by collecting the gases released from short segments of EBR-II driver fuel that were melted in a gas-tight furnace. Comparison of the calculations to the measurements shows quantitative agreement with both the magnitude and the axial variation of the retained gas content

Effect of vacancy loops on swelling of metals under irradiation

International Nuclear Information System (INIS)

Golubov, S.I.

1981-01-01

Subsequent analysis of vacancy loops formation in metals under irradiation is carried out and effect of vacancy loops on vacancy porosity is studied. Expression for quasistationary function of vacancy loops distribution according to sizes taking into consideration two mechanisms of their initiation-cascade and fluctuational ones - is obtained. It is shown that rate of vacancy absorption and interstitials by vacancy loops in quasiequilibrium state is similar and depends only on summary length of loops, for its calculations the self-coordinated procedure is formulated. For the rate of metal swelling under irradiation obtained is the expression taking into consideration the presence of vacancy loops [ru

Vacancy formation enthalpies in bcc and fcc FeCo by positron annihilation

International Nuclear Information System (INIS)

Jackman, J.A.; Kim, S.M.; Buyers, W.J.L.

1982-01-01

A long slit angular correlation apparatus was used to measure the peak coincidence count rate in stoichiometric FeCo from 290 K to 1510 K. The count rate did not change significantly at the order-disorder phase transition (1008 K), but decreased sharply by 3.2% at the bcc-fcc phase transition at 1258 K. The threshold temperatures for the trapping of positrons in vacancies are measured to be 1125 K for the bcc phase and 1260 K for the fcc phase. The vacancy formation enthalpies in the bcc and fcc phases are determined to be 1.45 +- 0.05 eV and 1.63 +- 0.05 eV. The activation energies for self-diffusion have been estimated from the threshold temperatures, and are found to be 2.45 eV and 2.74 eV for the bcc and fcc phases respectively. (Auth.)

Resistance to He{sup 2+} irradiation damage in metallic glass Ta{sub 38}Ni{sub 62}

Energy Technology Data Exchange (ETDEWEB)

Hou, Wenjing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Zhang, Xiaonan; Wang, Yingmin; Qiang, Jianbing [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Sun, Jianrong [Institute of Modern Physics, The Chinese Academy of Sciences, Lanzhou 730000 (China); Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2016-10-15

Highlights: • Metallic glass Ta{sub 38}Ni{sub 62} irradiated by different fluence of He{sup 2+} remained amorphous. • The helium bubble layer appeared at the end of ion range 1.01 μm away from surface. • Helium bubbles were larger in the layer center and reduced to top and bottom sides. • No significant damage appeared in the surface of metallic glass Ta{sub 38}Ni{sub 62}. • Ta{sub 38}Ni{sub 62} better resisted to He{sup 2+} irradiation than W and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17}. - Abstract: Metallic glass Ta{sub 38}Ni{sub 62} strips, metallic W, and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy were irradiated using a 500 keV He{sup 2+} ion beam at different fluence to compare the metallic glass resistance to irradiation. Metallic glass Ta{sub 38}Ni{sub 62} remained amorphous at different He{sup 2+} irradiation fluence. Transmission electron microscopy analysis revealed the presence of helium bubbles at the end of the range of helium ions in the metallic glass. No significant damage resulted in the metallic glass surface, and the root mean square roughness increased nonlinearly with the increase in fluence. At 1 × 10{sup 18} ions/cm{sup 2}, metallic W appeared in larger sunken areas on the surface and V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy experienced multi-layer flaking. The metallic glass Ta{sub 38}Ni{sub 62} resistance to He{sup 2+} ion beam irradiation was better than that of metallic W, and that of the V{sub 87.5}Cr{sub 4.17}Ti{sub 4.17}Nb{sub 4.17} alloy was the poorest.

Relaxation volumes of self-interstitial-atoms and vacancies in metals

International Nuclear Information System (INIS)

Ehrhart, P.

1983-01-01

Experimental results for the relaxation volumes of self-interstitial-atoms and vacancies as obtained after low temperature irradiation of different metals are reviewed. For fcc metals the relaxation volumes of the SIA's are very similar: ΔVsup(rel) = 1.6 +- 0.3 atomic volumes. This value is valid as well for the pure fcc metals (Al, Cu, Ni) as for different alloys. Vacancy relaxation volumes are small and vary between: ΔVsup(rel) = -0.05 and -0.25 atomic volumes. For bcc metals (Fe, Mo) the relaxation volume of the SIA is significantly smaller: ΔVsup(rel) = 1.1 +- 0.2 atomic volumes. In spite of the obvious similarity of the close-packed fcc and hcp structures, the SIA parameters for hcp metals are much different: ΔVsup(rel) = 3.5 for Zn, ΔVsup(rel) = 1.5 for Co and ΔVsup(rel) = 0.6 at. vol. for Zr. Vacancy relaxation volumes seem to be small as in cubic metals. The influence of lattice nonharmonicity on the validity of an extrapolation of the values determined at 6 K to higher temperatures is discussed. (author)

Viscous surface flow induced on Ti-based bulk metallic glass by heavy ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kun [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Hu, Zheng [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Science and Technology on Vehicle Transmission Laboratory, China North Vehicle Research Institute, Beijing 100072 (China); Li, Fengjiang [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China); Wei, Bingchen, E-mail: weibc@imech.ac.cn [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

2016-12-30

Highlights: • Obvious smoothing and roughening phases on the Ti-based MG surface resulted, which correspond respectively to the normal and off-normal incidence angles. • Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough surface. • The irradiation-induced viscosity of MG is about 4×10{sup 12} Pa·s, which accords with the theoretical prediction for metallic glasses close to glass transition temperature. • Surface-confined viscous flow plays a dominant quantitative role, which is due to radiation-induced softening of the low-viscosity surface layer. - Abstract: Ti-based bulk metallic glass was irradiated by a 20 MeV Cl{sup 4+} ion beam under liquid-nitrogen cooling, which produced remarkable surface smoothing and roughening that respectively correspond to normal and off-normal incidence angles of irradiation. Atomic force microscopy confirms two types of periodic ripples distributed evenly over the rough glass surface. In terms of mechanism, irradiation-induced viscosity agrees with the theoretical prediction for metallic glasses near glass transition temperature. Here, a model is introduced, based on relaxation of confined viscous flow with a thin liquid-like layer, that explains both surface smoothing and ripple formation. This study demonstrates that bulk metallic glass has high morphological instability and low viscosity under ion irradiation, which assets can pave new paths for metallic glass applications.

The study on binary Mg-Co hydrogen storage alloys with BCC phase

International Nuclear Information System (INIS)

Zhang Yao; Tsushio, Yoshinori; Enoki, Hirotoshi; Akiba, Etsuo

2005-01-01

Novel Mg-Co binary alloys were successfully synthesized by mechanical alloying. These alloys were studied by X-ray diffraction (XRD), transmission electron micrograph (TEM), pressure-composition-isotherms measurements (P-C-T) and differential scanning calorimetry (DSC). Both XRD Rietveld analysis and TEM observation confirmed that these binary alloys contain BCC phase and that the BCC phase existed in the range from 37 to 80 at.% Co. The lattice parameter of the BCC phase increased with the increase of the Co content from 37 to 50 at.%. When the Co content reached 50 at.%, the lattice parameter reached a maximum value, and then turned to decrease gradually with further increase of the Co content. Most of Mg-Co BCC alloys absorbed hydrogen at 373 K under 6 MPa of hydrogen pressure. The Mg 60 Co 40 alloy showed the highest hydrogen absorption capacity, about 2.7 mass% hydrogen. However, all the Mg-Co alloys studied did not desorb hydrogen at 373 K. By means of DSC measurements and in situ XRD analysis, it was found that under 4 MPa hydrogen atmosphere, Mg 50 Co 50 alloy transformed from BCC solid solution to Mg 2 CoH 5 tetragonal hydride at 413 K

Observation and analysis of defect cluster production and interactions with dislocations

International Nuclear Information System (INIS)

Zinkle, S.J.; Matsukawa, Y.

2004-01-01

The current understanding of defect production fundamentals in neutron-irradiated face centered cubic (FCC) and body centered cubic (BCC) metals is briefly reviewed, based primarily on transmission electron microscope observations. Experimental procedures developed by Michio Kiritani and colleagues have been applied to quantify defect cluster size, density, and nature. Differences in defect accumulation behavior of irradiated BCC and FCC metals are discussed. Depending on the defect cluster obstacle strength, either the dispersed barrier hardening model or the Friedel-Kroupa-Hirsch weak barrier model can be used to describe major aspects of radiation hardening. Irradiation at low temperature can cause a change in deformation mode from dislocation cell formation at low doses to twinning or dislocation channeling at higher doses. The detailed interaction between dislocations and defect clusters helps determine the dominant deformation mode. Recent observations of the microstructure created by plastic deformation of quenched and irradiated metals are summarized, including in situ deformation results. Examples of annihilation of stacking fault tetrahedra by gliding dislocations and subsequent formation of mobile superjogs are shown

Temperature dependence of enthalpies and entropies of formation and migration of mono-vacancy in BCC iron

Energy Technology Data Exchange (ETDEWEB)

Wen, Haohua; Woo, C.H., E-mail: chungho@cityu.edu.hk

2014-12-15

Entropies and enthalpies of vacancy formation and diffusion in BCC iron are calculated for each temperature directly from free-energies using phase-space trajectories obtained from spin–lattice dynamics simulations. Magnon contributions are found to be particularly substantial in the temperature regime near the α−β (ferro/para-magnetic) transition. Strong temperature dependence and singular behavior can be seen in this temperature regime, reflecting magnon softening effects. Temperature dependence of the lattice component in this regime is also much more significant compared to previous estimations based on Arrhenius-type fitting. Similar effects on activation processes involving other irradiation-produced defects in magnetic materials are expected.

Removing roughness on metal surface by irradiation of intense short-pulsed ion beams

International Nuclear Information System (INIS)

Hashimoto, Y.

1995-01-01

Surface modification of metals with an intense pulsed ion beam (IPIB) was studied experimentally. When the temperature rise of metal surfaces by IPIB irradiation exceeds their boiling point, it is found that machining roughness on surfaces is removed. The experiments were performed with the pulsed power generator HARIMA-II at Himeji Institute of Technology. The main components of the ion beam were carbon and fluorine ions. The IPIB was irradiated to metal plates (Al, Cu and Ti) which were placed at the focal point. Machining roughness on Ti surface was removed after IPIB irradiation, while roughness on Al and Cu plates was not removed. Using the present experimental parameters (beam power density: 32 W/cm 2 , pulse width: 25 ns), the temperature rise of the Ti surface was estimated to be 8,100 K which exceed its boiling point (3,000 K). However, the estimated temperatures of Al and Cu surfaces was 2,500 and 1,500 K, respectively, that are less than their boiling points. These studies above suggests that temperature rise over the boiling point of metals is necessary for removing machining roughness on metal surfaces

Excimer laser irradiation of metal surfaces

Science.gov (United States)

Kinsman, Grant

In this work a new method of enhancing CO2 laser processing by modifying the radiative properties of a metal surface is studied. In this procedure, an excimer laser (XeCl) or KrF) exposes the metal surface to overlapping pulses of high intensity, 10(exp 8) - 10(exp 9) W cm(exp -2), and short pulse duration, 30 nsec FWHM (Full Width Half Maximum), to promote structural and chemical change. The major processing effect at these intensities is the production of a surface plasma which can lead to the formation of a laser supported detonation wave (LSD wave). This shock wave can interact with the thin molten layer on the metal surface influencing to a varying degree surface oxidation and roughness features. The possibility of the expulsion, oxidation and redeposition of molten droplets, leading to the formation of micron thick oxide layers, is related to bulk metal properties and the incident laser intensity. A correlation is found between the expulsion of molten droplets and a Reynolds number, showing the interaction is turbulent. The permanent effects of these interactions on metal surfaces are observed through scanning electron microscopy (SEM), transient calorimetric measurements and Fourier transform infrared (FTIR) spectroscopy. Observed surface textures are related to the scanning procedures used to irradiate the metal surface. Fundamental radiative properties of a metal surface, the total hemispherical emissivity, the near-normal spectral absorptivity, and others are examined in this study as they are affected by excimer laser radiation. It is determined that for heavily exposed Al surface, alpha' (10.6 microns) can be increased to values close to unity. Data relating to material removal rates and chemical surface modification for excimer laser radiation is also discussed. The resultant reduction in the near-normal reflectivity solves the fundamental problem of coupling laser radiation into highly reflective and conductive metals such as copper and aluminum. The

Preparation of metastable bcc permalloy epitaxial thin films on GaAs(011){sub B3} single-crystal substrates

Energy Technology Data Exchange (ETDEWEB)

Ohtake, Mitsuru, E-mail: ohtake@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Higuchi, Jumpei; Yabuhara, Osamu [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

2011-09-30

Permalloy (Py) single-crystal films with bcc structure were obtained on GaAs(011){sub B3} single-crystal substrates by ultra high vacuum rf magnetron sputtering. The film growth and the detailed film structures were investigated by refection high energy electron diffraction and pole figure X-ray diffraction. bcc-Py films epitaxially grow on the substrates in the orientation relationship of Py(011)[011-bar]{sub bcc} || GaAs(011)[011-bar]{sub B3}. The lattice constant of bcc-Py film is determined to be a = 0.291 nm. With increasing the film thickness, parts of the bcc crystal transform into more stable fcc structure by atomic displacement parallel to the bcc{l_brace}011{r_brace} close-packed planes. The resulting film thus consists of a mixture of bcc and fcc crystals. The phase transformation mechanism is discussed based on the experimental results. The in-plane magnetization properties reflecting the magnetocrystalline anisotropy of bcc-Py crystal are observed for the Py films grown on GaAs(011){sub B3} substrates.

Magnetic properties of metastable bcc and fcc Fe-Cu alloys produced by vapor quenching

International Nuclear Information System (INIS)

Sumiyama, Kenji; Yoshitake, Tsutomu; Nakamura, Yoji

1984-01-01

High concentration Fesub(1-x)Cusub(x) alloys have been obtained by rf sputtering technique and investigated by X-ray diffraction and magnetization measurements. The bcc phase is extended over the region with x=0-0.4, while the fcc phase with x=0.6-1.0. For x=0.4-0.6, we have the mixed phase of bcc and fcc. The lattice constant of bcc phase increases slightly and that of fcc phase decreases with increasing x. In the bcc alloys, the average magnetic moment decreases with increasing x and deviates upwards from the simple dilution law. In the fcc alloys, the magnetic moment also decreases with increasing x but it deviates downwards from the simple dilution law. The Curie temperature, Tsub(c), of the Fesub(1-x)Cusub(x) alloys decreases abruptly with increasing x: Tsub(c) is higher than 750 K for the bcc alloys, while it is lower than 320 K for the fcc alloys and become 0 K at about x=0.92. (author)

Low temperature radiation embrittlement for reactor vessel steels

International Nuclear Information System (INIS)

Ginding, I.A.; Chirkina, L.A.

1978-01-01

General conceptions of cold brittleness of bcc metals are in a review. Considered are experimental data and theoretical representations about the effect of irradiation conditions, chemical composition, phase and structural constitutions, grain size, mechanical and thermomechanical treatments on low-temperature irradiation embrittlement of reactor vessel steels. Presented are the methods for increasing radiation stability of metals (carbon and Cr-Mo steels) used in manufacturing reactor vessels

Calculation of thermodynamic equilibrium between bcc disordered solid solutions U and Mo

International Nuclear Information System (INIS)

Alonso, Paula R.; Rubiolo, Gerardo H.

2003-01-01

There is actually an interest to develop a new fuel with higher density for research reactors. Fuel plates would be obtained by dispersion, a method that requires both a very dense fuel dispersant (>15.0 g U/cm 3 ) and a very high volume loading of the dispersant (>55%). Dispersants based in gamma (BCC) stabilized uranium alloys are being investigated, as they are able to reach uranium densities of 17.0 g U/cm 3 . Among them, we focus in U(Mo) bcc solid solutions with the addition of ternary elements to stabilize gamma phase. Transition metals, 4d and 5d, of groups VII and VIII are good candidates for the ternary alloy U - Mo - X. Their relative power to stabilize gamma phase seems to be in close relation with bonding energies between atoms in the alloy. A first approach to the calculation of these energies has been performed by the semi empiric method of Miedema where only bonds between pairs are considered, neglecting ternary and quaternary bonds. There is also a lack of information concerning solubilities of the ternary elements in the ternary cubic phase. In this work we aim to calculate bonding energies between atoms in the alloy using a cluster expansion of the formation energy (T=0 K) of a series of bcc ordered compounds in the systems U-Mo-X. Then the calculation of the equilibrium phase diagram by the Cluster Variation Method will be done (CVM). We show here the first part of the investigation devoted to calculation of phases equilibria in the U Mo system Formation energies of the ordered compounds were obtained by the first principles methods TB-LMTO-ASA and FP-LAPW. Another set of bonding energies was calculated in order to fit the known experimental diagram and new formation energies for the ordered compounds were derived from them. Discrepancies between both sets are discussed. (author)

First-principles study of ternary bcc alloys using special quasi-random structures

International Nuclear Information System (INIS)

Jiang Chao

2009-01-01

Using a combination of exhaustive enumeration and Monte Carlo simulated annealing, we have developed special quasi-random structures (SQSs) for ternary body-centered cubic (bcc) alloys with compositions of A 1 B 1 C 1 , A 2 B 1 C 1 , A 6 B 1 C 1 and A 2 B 3 C 3 , respectively. The structures possess local pair and multisite correlation functions that closely mimic those of the random bcc alloy. We employed the SQSs to predict the mixing enthalpies, nearest neighbor bond length distributions and electronic density of states of bcc Mo-Nb-Ta and Mo-Nb-V solid solutions. Our convergence tests indicate that even small-sized SQSs can give reliable results. Based on the SQS energetics, the predicting powers of the existing empirical ternary extrapolation models were assessed. The present results suggest that it is important to take into account the ternary interaction parameter in order to accurately describe the thermodynamic behaviors of ternary alloys. The proposed SQSs are quite general and can be applied to other ternary bcc alloys.

Cesium adsorption ability and stability of metal hexacyanoferrate irradiated with gamma-rays

International Nuclear Information System (INIS)

Arisaka, Makoto; Watanabe, Masayuki; Ishizaki, Manabu; Kurihara, Masato; Chen, Rongzhi; Tanaka, Hisashi

2013-01-01

The influence of irradiation with gamma-rays to metal hexacyanoferrate (MHCF: M = Fe, Cu or Ni), which is known as an adsorbent for selective adsorption of cesium (Cs) ion in solution, on Cs adsorption ability and stability was investigated in HNO 3 solutions. Under the adsorbed dose conditions (50 - 300 kGy), it was found that the MHCF is fully stable although the radiolytic decomposition of MHCF was slightly observed with an increase of the total adsorbed dose, which was confirmed by an increment of Fe, Cu or Ni concentration in HNO 3 solution after the irradiation. The weight percent of the metal in the solution to initial weight of MHCF was less than unity. Moreover, no change in composition of carbon, hydrogen and nitrogen in MHCF was observed. On the other hand, the distribution coefficients of Cs to the irradiated MHCF were independent of the total adsorbed dose. This indicates that the Cs adsorption ability was maintained under gamma-ray irradiation. (author)

Irradiation performance of U-Pu-Zr metal fuels for liquid-metal-cooled reactors

International Nuclear Information System (INIS)

Tsai, H.; Cohen, A.B.; Billone, M.C.; Neimark, L.A.

1994-10-01

This report discusses a fuel system utilizing metallic U-Pu-Zr alloys which has been developed for advanced liquid metal-cooled reactors (LMRs). Result's from extensive irradiation testing conducted in EBR-II show a design having the following key features can achieve both high reliability and high burnup capability: a cast nominally U-20wt %Pu-10wt %Zr slug with the diameter sized to yield a fuel smear density of ∼75% theoretical density, low-swelling tempered martensitic stainless steel cladding, sodium bond filling the initial fuel/cladding gap, and an as-built plenum/fuel volume ratio of ∼1.5. The robust performance capability of this design stems primarily from the negligible loading on the cladding from either fuel/cladding mechanical interaction or fission-gas pressure during the irradiation. The effects of these individual design parameters, e.g., fuel smear density, zirconium content in fuel, plenum volume, and cladding types, on fuel element performance were investigated in a systematic irradiation experiment in EBR-II. The results show that, at the discharge burnup of ∼11 at. %, variations on zirconium content or plenum volume in the ranges tested have no substantial effects on performance. Fuel smear density, on the other hand, has pronounced but countervailing effects: increased density results in greater cladding strain, but lesser cladding wastage from fuel/cladding chemical interaction

Effect of Pre-Gamma Irradiation Induction of Metallothionein on potentially Radiation-Induced Toxic Heavy Metals Ions In Rats

International Nuclear Information System (INIS)

El-Shamy, El.

2004-01-01

Metallothionein, which is a cystein-rich metal binding protein, can act as free radical scavenger and involved in resistance to heavy metal toxicity. The induction of synthesis has been shown to protect organs from the toxic effect of radiation. This study aimed to stud the effects of pre-irradiation induction of by heavy metal (Zinc sulfate) on potentially gamma radiation-induced toxic heavy metals ions in rate liver and kidney tissues. Forty eight albino rats were included in this study. They were divided into eight groups each of six animals. Two control groups injected with saline. Two Zinc sulfate-treated groups injected with zinc sulfate, two Irradiated groups exposed to a single dose level (7 Gy) of whole body gamma irradiation and two combined zinc sulfate and irradiation groups injected with zinc sulfate and exposed to whole body gamma irradiation (at dose 7 Gy). Animals of all groups were sacrificed 24 and 48 hours after last either zinc sulfate dose or irradiation. Samples of liver and kidney's tissues were subjected to the following investigations: Estimation of tissue heavy Metals (Zinc, Iron and Copper), and tissue (MT). After irradiation, liver and kidney MT were increased approximately 10-fold and 2-fold respectively after irradiation. Accumulation of zinc and iron in both liver and kidney tissues were detected, while accumulation of copper only in the liver tissues. The pre-irradiation treatment with zinc sulfate (Zn SO4) resulted in highly significant decrease in zinc, iron, and copper levels in both liver and kidney tissues in comparison with irradiation groups. Conclusion, it can be supposed that pre-irradiation injection of ZnSO 4 exerted protective effect against the potentially radiation-induced toxic heavy metals ions through MT induction

Biological changes of APA-BCC analgesic microcapsule in cerebrospinal fluid of patients with carcinomatous pain

International Nuclear Information System (INIS)

Luo Yun; Li Yanling; Xue Yilong; Guo Shulong; Gao Yuhong; Cui Xin

2005-01-01

To explore the changes of alginate-polylysine-alginate microcapsulated bovine adrenal medullary chromaffin cells (APA-BCC microcapsules) in morphology, survival rate and leucine- enkephalin secretion after they were transplanted into CSF of cancerpain patients, the APA- BCC microcapsules were Implanted into cavitas subarachnoidealis of cancer-pain patients by conventional lumbar puncture. After 7 or 8 days, cerebrospinal fluid was collected and the morphology of the APA-BCC microcapsule, the survival rate of cells were observed and secretory volume of leucine-enkephalin was assayed by radioimmunity method. Seven days after trans- plantation, the mean VAS decreased from 8.8 to 2.4, the survival rate of cells averagely reduced from 91.2% to 89.1%, morphology of APA-BCC microcapsules did not change obviously and secretory volume of leucine-enkephalin went up 1.65 times compared with that at pretrans- plantation. In conclusion, APA-BCC can survive, secret leucine-enkephalin and produce analgesic effect after transplanted into CSF of cancer-patients. (authors)

Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

Science.gov (United States)

Kiyokawa, Shuji

2018-05-01

In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

Irradiation techniques for the release of bound heavy metals in natural waters and blood

International Nuclear Information System (INIS)

Batley, G.E.; Farrar, Y.J.

1978-01-01

Irradiation techniques are compared with conventional acid digestion procedures for the release of bound heavy metals in natural waters and in blood, before their determination by anodic stripping voltammetry. Ultra-violet irradiation of acidified water with a 550-W mercury vapour lamp releases bound zinc, cadmium, lead and copper after 4 h. The same results can be achieved with a 30 Mrad dose of high-energy γ-irradiation. These techniques are also effective for the release of metals in whole blood and blood plasma, where sample volumes as small as 200 μl are adequate in analyses for zinc, copper and lead. By comparison with acid digestion and solvent extraction methods, irradiation treatments offer the advantages of minimum sample manipulation and negligible reagent blanks. (Auth.)

Changes in the vibrational energies and interatomic spacings upon the formation of vacancies in the volume and in the cores of crystallite conjugation regions of polycrystalline transition metals with cubic lattices

International Nuclear Information System (INIS)

Klotsman, S.M.; Timofeev, A.N.

2008-01-01

Measured changes (ε vac ) i,j of vibrational energy on vacancies formation in i-fields (in volumes and nuclei of crystallite conjugation regions of polycrystalline metals (CCR-PM)): Cr, Mo, Ta, W, Cu, Ir are presented. Changes ε vol of vibrational energy of vacancy nearest environment formed in the metal volume, changes ε FCC of vibrational energy when vacancies formation in CCR nuclei of BCC- and FCC lattices transition metals are discussed. Measured changes ε FCC of vibrational energy, u FCC potential energy and determined sign of interatomic distances changes Δa FCC when formation of split vacancy in the FCC-lattice CCR-PM, changes ε BCC of vibrational energy, u BCC potential energy and determined sign of Δa BCC changes of interatomic distances when vacancies formation in the BCC-lattice CCR-PM are demonstrated. It is noted that the increase of interatomic distances when vacancies formation in the BCC-lattice CCR nucleus of transition metals is conditioned by the the appearance of vacancies alternative structure. Properties of CCR-PM nuclei are more sensitive to interatomic distances changes in the vacancies environment, than to changes of its nearest neighbours numbers [ru

Can gamma irradiation during radiotherapy influence the metal release process for biomedical CoCrMo and 316L alloys?

Science.gov (United States)

Wei, Zheng; Edin, Jonathan; Karlsson, Anna Emelie; Petrovic, Katarina; Soroka, Inna L; Odnevall Wallinder, Inger; Hedberg, Yolanda

2018-02-09

The extent of metal release from implant materials that are irradiated during radiotherapy may be influenced by irradiation-formed radicals. The influence of gamma irradiation, with a total dose of relevance for radiotherapy (e.g., for cancer treatments) on the extent of metal release from biomedical stainless steel AISI 316L and a cobalt-chromium alloy (CoCrMo) was investigated in physiological relevant solutions (phosphate buffered saline with and without 10 g/L bovine serum albumin) at pH 7.3. Directly after irradiation, the released amounts of metals were significantly higher for irradiated CoCrMo as compared to nonirradiated CoCrMo, resulting in an increased surface passivation (enhanced passive conditions) that hindered further release. A similar effect was observed for 316L showing lower nickel release after 1 h of initially irradiated samples as compared to nonirradiated samples. However, the effect of irradiation (total dose of 16.5 Gy) on metal release and surface oxide composition and thickness was generally small. Most metals were released initially (within seconds) upon immersion from CoCrMo but not from 316L. Albumin induced an increased amount of released metals from AISI 316L but not from CoCrMo. Albumin was not found to aggregate to any greater extent either upon gamma irradiation or in the presence of trace metal ions, as determined using different light scattering techniques. Further studies should elucidate the effect of repeated friction and fractionated low irradiation doses on the short- and long term metal release process of biomedical materials. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2018. © 2018 The Authors Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc.

In-pile measurement of the thermal conductivity of irradiated metallic fuel

International Nuclear Information System (INIS)

Bauer, T.H.; Holland, J.W.

1995-01-01

Transient test data and posttest measurements from recent in-pile overpower transient experiments are used for an in situ determination of metallic fuel thermal conductivity. For test pins that undergo melting but remain intact, a technique is described that relates fuel thermal conductivity to peak pin power during the transient and a posttest measured melt radius. Conductivity estimates and their uncertainty are made for a database of four irradiated Integral Fast Reactor-type metal fuel pins of relatively low burnup (<3 at.%). In the assessment of results, averages and trends of measured fuel thermal conductivity are correlated to local burnup. Emphasis is placed on the changes of conductivity that take place with burnup-induced swelling and sodium logging. Measurements are used to validate simple empirically based analytical models that describe thermal conductivity of porous media and that are recommended for general thermal analyses of irradiated metallic fuel

Influence of powerful pulses of laser irradiation on metallic films

International Nuclear Information System (INIS)

Besogonov, V.V.; Chudinov, V.G.

1999-01-01

The relaxation process of energy transferred by powerful pulses of laser irradiation to a superficial layer in metallic films has been investigated by the molecular dynamics technique. Beam energy transformation into mechanical energy of movement of irradiated atoms is shown to be possible due to changing pair interaction potentials. Variation of the Coulomb interaction screening of an ionic subsystem through the excitation of valence electrons is illustrated as major of the reasons for changing the potentials

Fabry-Perot magnonic ballistic coherent transport across ultrathin ferromagnetic lamellar bcc Ni nanostructures between Fe leads

Science.gov (United States)

Khater, A.; Saim, L.; Tigrine, R.; Ghader, D.

2018-06-01

We propose thermodynamically stable systems of ultrathin lamellar bcc Ni nanostructures between bcc Fe leads, sbnd Fe[Ni(n)]Fesbnd , based on the available literature for bcc Ni overlayers on Fe(001) surfaces, and establish the necessary criteria for their structural and ferromagnetic order, for thicknesses n ≤ 6 bcc Ni monatomic layers. The system is globally ferromagnetic. A theoretical model is presented to investigate and understand the ballistic coherent scattering of Fe spin-waves, incident from the leads, at the ferromagnetic bcc Ni nanostructure. The Nisbnd Ni and Nisbnd Fe exchange are computed using the Ising effective field theory (EFT), and the magnetic ground state of the system is constructed in the Heisenberg representation. We compute the spin-wave eigenmodes localized on the bcc Ni nanostructure, using the phase field matching theory (PFMT), illustrating the effects of symmetry breaking on the confinement of localized spin excitations. The reflection and transmission scattering properties of spin-waves incident from the Fe leads, across the embedded Ni nanostructures are investigated within the framework of the same PFMT methodology. A highly refined Fabry-Perot magnonic ballistic coherent transmission spectra is observed for these sbnd Fe[Ni(n)]Fesbnd systems.

A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

International Nuclear Information System (INIS)

Jahangir, Vafa; Riahifar, Reza; Sahba Yaghmaee, Maziar

2016-01-01

In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

Energy Technology Data Exchange (ETDEWEB)

Jahangir, Vafa, E-mail: vafa.jahangir@yahoo.com; Riahifar, Reza, E-mail: reza_rfr@yahoo.com; Sahba Yaghmaee, Maziar, E-mail: fkmsahba@uni-miskolc.hu

2016-03-31

In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

Atomistic simulation of ideal shear strength, point defects, and screw dislocations in bcc transition metals: Mo as a prototype

International Nuclear Information System (INIS)

Xu, W.; Moriarty, J.A.

1996-01-01

Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential theory, we have studied ideal shear strength, point defects, and screw dislocations in the prototype bcc transition metal molybdenum (Mo). Many-body angular forces, which are important to the structural and mechanical properties of such central transition metals with partially filled d bands, are accounted for in the present theory through explicit three- and four-ion potentials. For the ideal shear strength of Mo, our computed results agree well with those predicted by full electronic-structure calculations. For point defects in Mo, our calculated vacancy-formation and activation energies are in excellent agreement with experimental results. The energetics of six self-interstitial configurations have also been investigated. The left-angle 110 right-angle split dumbbell interstitial is found to have the lowest formation energy, in agreement with the configuration found by x-ray diffuse scattering measurements. In ascending order, the sequence of energetically stable interstitials is predicted to be left-angle 110 right-angle split dumbbell, crowdion, left-angle 111 right-angle split dumbbell, tetrahedral site, left-angle 001 right-angle split dumbbell, and octahedral site. In addition, the migration paths for the left-angle 110 right-angle dumbbell self-interstitial have been studied. The migration energies are found to be 3 endash 15 times higher than previous theoretical estimates obtained using simple radial-force Finnis-Sinclair potentials. Finally, the atomic structure and energetics of left-angle 111 right-angle screw dislocations in Mo have been investigated. We have found that the so-called open-quote open-quote easy close-quote close-quote core configuration has a lower formation energy than the open-quote open-quote hard close-quote close-quote one, consistent with previous theoretical studies. (Abstract Truncated)

Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

International Nuclear Information System (INIS)

Miglierini, M.; Nasu, Saburo; Skorvanek, I.; Sitek, J.

1992-01-01

Transmission 57 Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of γ-ray spectroscopy. (author)

Neutron irradiation effects on magnetic properties of Fe-based ferromagnetic metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Miglierini, M.; Nasu, Saburo (Osaka Univ., Toyonaka (Japan). Faculty of Science); Skorvanek, I.; Sitek, J.

1992-04-01

Transmission {sup 57}Fe Moessbauer spectroscopy, J-H quasistatic hysteresis loop and AC susceptibility measurements are used to study effects of neutron irradiation on magnetic properties of Fe-based-ferromagnetic metallic glasses. Elastic stress centers are produced during the process of neutron irradiation as a result of atom mixing. Rearrangement of the atoms causes changes in the average value of the hyperfine field distribution and orientation of the net magnetic moment. They are shown to depend on the composition of the investigated samples. Cr-doped metallic glasses depict transition from the ferromagnetic to paramagnetic state at room temperature after neutron irradiation implying changes in the Curie temperature. The presence of Ni in the samples reduces the effects of radiation damage as revealed also from position lifetime data. Possible sources of a radiation damage are discussed using the results of {gamma}-ray spectroscopy. (author).

Metallic Na formation in NaCl crystals with irradiation of electron or vacuum ultraviolet photon

Energy Technology Data Exchange (ETDEWEB)

Owaki, Shigehiro [Osaka Prefecture Univ., Sakai, Osaka (Japan). Coll. of Integrated Arts and Sciences; Koyama, Shigeko; Takahashi, Masao; Kamada, Masao; Suzuki, Ryouichi

1997-03-01

Metallic Na was formed in NaCl single crystals with irradiation of a variety of radiation sources and analyzed the physical states with several methods. In the case of irradiation of 21 MeV electron pulses to the crystal blocks, the optical absorption and lifetime measurement of positron annihilation indicated appearance of Na clusters inside. Radiation effects of electron beam of 30 keV to the crystals in vacuum showed the appearance of not only metallic Na but atomic one during irradiation with Auger electron spectroscopy. Intense photon fluxes in vacuum ultraviolet region of synchrotron radiation were used as another source and an analyzing method of ultraviolet photoelectron spectroscopy. The results showed the metallic Na layered so thick that bulk plasmon can exist. (author)

Effects of neutron irradiation on a superconducting metallic glass

International Nuclear Information System (INIS)

Kramer, E.A.; Johnson, W.L.; Cline, C.

1979-06-01

The effects of fast neutron irradiation on a superconducting metallic glass (Mo 6 Ru 4 ) 82 B 18 have been studied. Following irradiation to a total fluence of 10 19 n/cm 2 , T/sub c/ increases from 6.05 K to 6.19 K, and the width of the transition decreases sharply. The density of the material decreases by 1.5%, and the x-ray scattering intensity maxima are broadened. An improvement in the ductility of the samples is observed which together with the other observations suggests the production of defects having atomic scale dimensions and characterized by excess volume

Fission gas retention in irradiated metallic fuel

International Nuclear Information System (INIS)

Fenske, G.R.; Gruber, E.; Kramer, J.M.

1987-01-01

Theoretical calculations and experimental measurements of the quantity of retained fission gas in irradiated metallic fuel (U-5 wt. % Fs) are presented. (The symbol 'Fs' designates fissium, a 'pseudo-element' which, in reality, is an alloy whose composition is representative of fission products that remain in reprocessed fuel). The calculations utilize the Booth method to model the steady-state release of gases from fuel grains and a simplified grain-boundary gas model to predict the gas release from intergranular regions. The quantity of gas retained in as-irradiated fuel was determined by collecting the gases released from short segments of EBR-II driver fuel that were melted in a gas-tight furnace. Comparison of the calculations with the measurements shows quantitative agreement in both the magnitude and the axial variation of the retained gas content. (orig.)

Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

Science.gov (United States)

Gong, Zhiqiang; Dogar, Muhammad Mubashar Ahmad; Qiao, Shaobo; Hu, Po; Feng, Guolin

2017-09-01

This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection. The differences of summer precipitation modes of the empirical orthogonal function and the bias of atmospheric circulations over EA-NWP are analyzed to determine the reason for the precipitation prediction errors. Results indicate that the BCC_CSM could not reproduce the positive-negative-positive meridional tripole pattern from south to north that differs markedly from that observed over the last 20 years. This failure can be attributed to the bias of the BCC_CSM hindcasts of the summer EAP teleconnection and the low predictability of 500 hPa at the mid-high latitude lobe of the EAP. Meanwhile, the BCC_CSM hindcasts' deficiencies of atmospheric responses to SST anomalies over the Indonesia maritime continent (IMC) resulted in opposite and geographically shifted geopotential anomalies at 500 hPa as well as wind and vorticity anomalies at 850 hPa, rendering the BCC_CSM unable to correctly reproduce the EAP teleconnection pattern. Understanding these two problems will help further improve BCC_CSM's summer precipitation forecasting ability over EA-NWP.

Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

KAUST Repository

Gong, Zhiqiang

2017-04-05

This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection. The differences of summer precipitation modes of the empirical orthogonal function and the bias of atmospheric circulations over EA-NWP are analyzed to determine the reason for the precipitation prediction errors. Results indicate that the BCC_CSM could not reproduce the positive-negative-positive meridional tripole pattern from south to north that differs markedly from that observed over the last 20 years. This failure can be attributed to the bias of the BCC_CSM hindcasts of the summer EAP teleconnection and the low predictability of 500 hPa at the mid-high latitude lobe of the EAP. Meanwhile, the BCC_CSM hindcasts\\' deficiencies of atmospheric responses to SST anomalies over the Indonesia maritime continent (IMC) resulted in opposite and geographically shifted geopotential anomalies at 500 hPa as well as wind and vorticity anomalies at 850 hPa, rendering the BCC_CSM unable to correctly reproduce the EAP teleconnection pattern. Understanding these two problems will help further improve BCC_CSM\\'s summer precipitation forecasting ability over EA-NWP.

Kinetics of disorder-to-fcc phase transition via an intermediate bcc state

International Nuclear Information System (INIS)

Liu Yongsheng; Nie Huifen; Bansil, Rama; Steinhart, Milos; Bang, Joona; Lodge, Timothy P.

2006-01-01

Time-resolved small-angle x-ray scattering measurements reveal that a long-lived intermediate bcc state forms when a poly(styrene-b-isoprene) diblock copolymer solution in an isoprene selective solvent is rapidly cooled from the disordered micellar fluid at high temperature to an equilibrium fcc state. The kinetics of the epitaxial growth of the [111] fcc peak from the [110] bcc peak was obtained by fitting the scattering data to a simple model of the transformation. The growth of the [111] fcc peak agrees with the Avrami model of nucleation and growth kinetics with an exponent n=1.4, as does the initial decay of the [110] bcc peak, with an exponent n=1.3. The data were also found to be in good agreement with the Cahn model of grain boundary nucleation and growth

Theoretical study of defect properties in metals

International Nuclear Information System (INIS)

Sindzingre, P.

1987-01-01

Several characteristic properties (formation and migration enthalpies and volumes, dipole tensors, effects on shear elastic constants) of several point defects (vacancy, divacancy, interstitial, di-interstitial) in different metals: f.c.c. metals (Al, Cu, Ag, Au), h.c.p. metals (Be, Mg, Zn, Cd, Na, Co, Ti, Zr), b.c.c. metals (Li, Na, K, Rb, Cs) have been calculated. The calculated properties are evaluated from static computations performed with pair potentials derived from pseudo-potential theory (for simple or noble metals) or deduced empirically. Results are compared with available experimental data with previous theoretical works. The first part of this work where we have studied point defects properties in f.c.c. metals lead us to suggest a more convincing interpretation of X-ray scattering and elastic relation measurements concerning interstitials in Al and Cu, and a new interpretation for X-ray scattering measurements concerning di-interstitials in Al. In the second part, devoted to h.c.p. metals we are brought to propose for each studied metal the interstitial configurations which yield the best agreement with experimental results. The third part, devoted to the study of point defects in alkalin b.c.c. metals lead us to interpret self-diffusion in these metals with the assumption of a simultaneous contribution of monovacancies, divacancies and interstitials [fr

Irradiation of layered metallic dichalcogenides: disorder in the charge density waves

International Nuclear Information System (INIS)

Mutka, Hannu.

1983-01-01

This thesis is an experimental study on electron-irradiated metallic layer compounds (VSe 2 , NbSe 2 , TaS 2 , TaSe 2 ). The metal atoms displaced by irradiation remain in the form of stable defects up to 300 K; their concentration (10 - 5 ... 10 - 2 )is known from measurements of displacement threshold energy and magnetic susceptibility. The effect of these defects on the charge densite wave (CDW) phases and on the electronic and superconducting properties forms the major part of this study. In 1T-TaS 2 , a microstructure of CDW domains pinned to defects is observed by electron microscopy. The effects of this kind of disorder are also manifest in the thermodynamic properties of the CDW and in the electronic transport, as well as in the superconducting properties [fr

OBSERVATION OF MAGNETIC DOMAINS IN IRRADIATED TRANSITION METALS BY HIGH VOLTAGE ELECTRON MICROSCOPY

OpenAIRE

Ono , F.; Jakubovics , J.; Maeta , H.

1988-01-01

The effect of irradiation on the movement of domain walls was studied in ferromagnetic transition metals by using a high voltage electron microscope. In iron, a domain wall became easily movable at a 300 kV irradiation. The mobility was less affected in cobalt, while in nickel the effect was the greatest.

NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

Energy Technology Data Exchange (ETDEWEB)

Higuchi, Jumpei, E-mail: higuchi@futamoto.elect.chuo-u.ac.jp [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Ohtake, Mitsuru; Sato, Yoichi [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan); Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan)

2011-09-30

NiFe epitaxial films are prepared on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211){sub bcc} and Cr(100){sub bcc} underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

NiFe epitaxial films with hcp and fcc structures prepared on bcc-Cr underlayers

International Nuclear Information System (INIS)

Higuchi, Jumpei; Ohtake, Mitsuru; Sato, Yoichi; Kirino, Fumiyoshi; Futamoto, Masaaki

2011-01-01

NiFe epitaxial films are prepared on Cr(211) bcc and Cr(100) bcc underlayers grown hetero-epitaxially on MgO single-crystal substrates by ultra-high vacuum rf magnetron sputtering. The film growth behavior and the crystallographic properties are studied by reflection high energy electron diffraction and pole figure X-ray diffraction. Metastable hcp-NiFe(11-bar 00) and hcp-NiFe(112-bar 0) crystals respectively nucleate on Cr(211) bcc and Cr(100) bcc underlayers, where the hcp-NiFe crystals are stabilized through hetero-epitaxial growth. The hcp-NiFe(11-bar 00) crystal is a single-crystal with the c-axis parallel to the substrate surface, whereas the hcp-NiFe(112-bar 0) crystal is a bi-crystal with the respective c-axes lying in plane and perpendicular each other. With increasing the film thickness, the hcp structure in the NiFe films starts to transform into more stable fcc structure by atomic displacement parallel to the hcp(0001) close packed plane. The resulting films consist of hcp and fcc crystals.

Preparation of poly(acrylic acid)-chitosan hydrogels by gamma irradiation for metal ions sorption

International Nuclear Information System (INIS)

Tran Thu Hong; Le Hai; Nguyen Tan Man; Tran Thi Tam; Pham Thi Le Ha; Pham Thi Sam; Nguyen Duy Hang; Le Huu Tu; Le Van Toan

2013-01-01

Acid acrylic (AAc) was grafted onto crosslinked chitosan to make Chitosan-g-AAc copolymer with concentration of AAc from 0.5 to 15% by gamma irradiation. The optimal dose for grafting of 15% AAc onto chitosan was 5 kGy. Physical and chemical properties of irradiated samples such as SEM images, FTIR spectroscopy, TGA and swelling behavior at different pHs were evaluated. The grafting yield increased with the increase in dose, it reached 52% at 7 kGy irradiation dose. The application were grafted materials to adsorb metals ion from aqueous solutions was also investigated with both ungrafted and grafted chitosan beads under changing pH from 3 to 6. Grafted chitosan presented higher sorption capacity for most of metal ions than unmodified chitosan. (author)

Whiskers growth and self-healing in Ti-based metallic glasses during ion irradiation

Science.gov (United States)

Zhang, Kun; Hu, Zheng; Zhao, Ziqiang; Wei, Bingchen; Li, Yansen; Wei, Yuhang

2018-04-01

Ti-based metallic glasses were subjected to a 20 MeV Cl4+ ion radiation under liquid-nitrogen cooling. Their responses, as well as effects of the electronic excitation and nucleus-nucleus collision were evaluated. The collision cascade during irradiation typically changes the structure by increasing the liquid-like zone/cluster, or the content of the free volume. However, along the ion incident depth, the structure change is inhomogeneous. Numerous whiskers appear and aggregate on the side of the irradiation surface, which are several micrometers away from the edge. This corresponds with the maximum collision depth obtained by the Monte Carlo simulation, where nuclear loss plays a dominant role. Moreover, the liquid-like zone continually forms, which add to the whiskers growth and subsequent self-healing. Results suggest that the irradiation-induced local shear stress combines with the well-localized liquid-like zone results in the observed phenomena. This study demonstrates that metallic glasses have high morphological instability under ion irradiation, which assets can pave new paths for their further applications.

The flow stress of high-purity refractory body-centred cubic metals and its modification by atomic defects

International Nuclear Information System (INIS)

Seeger, A.

1995-01-01

The strong temperature and strain-rate dependence of the flow stress of high-purity refractory body-centred cubic metals has been shown to be an intrinsic property and is usually ascribed to a high Peierls barrier of a o left angle 111 right angle /2 screw dislocations. These barriers are overcome by the formation of kink pairs on the screw dislocations. The paper reports on recent, very complete flow-stress data on ultra-high purity Mo crystals obtained by two different experimental techniques and covering the temperature range 4 K to 460 K. The results are in accord with earlier work of Brunner and Diehl on α-Fe, who showed that below the so-called knee temperature, T K , three regimes in the temperature variation of the flow-stress should be distinguished. Two of them are fully accounted for by the same glide mechanism, namely elementary glide steps on {211} planes. The so-called upper bend separating these two regimes in an inherent feature of the theory of kink-pair formation and does not indicate a change in the glide mechanism. There is, however, strong evidence that the so-called lower bend, separating the range of {211} elementary glide steps from the low-temperature flow-stress regime, is due to a change in the glide mechanism. It is argued that at the lower bend the screw-dislocation cores undergo a ''first-order phase transition'' from a low-temperature configuration that allows glide of a given screw dislocation on any of its three {110} glide planes to a high-temperature configuration that can glide only on one definite {211} plane. Between T K and the lower-bend temperature, T, bcc metals may show the unique phenomena of alloy and irradiation softening. With regard to the latter phenomenon, Brunner and Diehl distinguish between ''primary'' and ''secondary'' softening. It is shown that alloy softening and the ''secondary irradiation softening'' of bcc metals may be explained by an ''overheating'' of the phase transition in the dislocation core. (orig./WL)

Low temperature fatigue crack propagation in neutron irradiated Type 316 steel and weld metal

International Nuclear Information System (INIS)

Lloyd, G.J.; Walls, J.D.; Gravenor, J.

1981-02-01

The fast cycling fatigue crack propagation characteristics of Type 316 steel and weld metal have been investigated at 380 0 C after irradiation to 1.72-1.92x10 20 n/cm 2 (E>1MeV) and 2.03x10 21 n/cm 2 (E>1MeV) at the same temperature. With mill-annealed Type 316 steel, modest decreases in the rates of crack propagation were observed for both dose levels considered, whereas for cold-worked Type 316 steel irradiation to 2.03x10 21 n/cm 2 (E>1MeV) caused increases in the rate of crack propagation. For Type 316 weld metal, increases in the rate of crack propagation were observed for both dose levels considered. The diverse influences of irradiation upon fatigue crack propagation in these materials are explained by considering a simple continuum mechanics model of crack propagation together with the results of control tensile experiments made on similarly irradiated materials. (author)

Biopolymer nanostructures induced by plasma irradiation and metal sputtering

Energy Technology Data Exchange (ETDEWEB)

Slepička, P., E-mail: petr.slepicka@vscht.cz [Department of Solid State Engineering, Institute of Chemical Technology, 166 28 Prague (Czech Republic); Juřík, P. [Department of Solid State Engineering, Institute of Chemical Technology, 166 28 Prague (Czech Republic); Malinský, P.; Macková, A. [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, Rez, Prague 25068 (Czech Republic); Faculty of Science, J.E. Purkyně University, Ústí nad Labem (Czech Republic); Kasálková, N. Slepičková; Švorčík, V. [Department of Solid State Engineering, Institute of Chemical Technology, 166 28 Prague (Czech Republic)

2014-08-01

Modification based on polymer surface exposure to plasma treatment exhibits an easy and cheap technique for polymer surface nanostructuring. The influence of argon plasma treatment on biopolymer poly(L-lactide acid (PLLA) will be presented in this paper. The combination of Ar{sup +} ion irradiation, consequent sputter metallization (platinum) and thermal annealing of polymer surface will be summarized. The surface morphology was studied using atomic force microscopy. The Rutherford Backscattering Spectroscopy and X-ray Photoelectron Spectroscopy were used as analytical methods. The combination of plasma treatment with consequent thermal annealing and/or metal sputtering led to the change of surface morphology and its elemental ratio. The surface roughness and composition has been strongly influenced by the modification parameters and metal layer thickness. By plasma treatment of polymer surface combined with consequent annealing or metal deposition can be prepared materials applicable both in tissue engineering as cell carriers, but also in integrated circuit manufacturing.

Effect of Proton Irradiation on the Corrosion Behaviors of Ferritic/Martensitic Steel in Liquid Metal Environment

Energy Technology Data Exchange (ETDEWEB)

Lee, Jeonghyeon; Kim, Tae Yong; Kim, Ji Hyun [UNIST, Ulsan (Korea, Republic of)

2016-10-15

Liquid metal fast breeder reactors (LMFBRs) such as sodium-cooled fast reactor (SFR) and lead-cooled fast reactor (LFR) are the candidates of GEN-IV nuclear energy systems. Among various liquid metals that can be used as primary coolant material, sodium is a world widely used coolant for GEN-IV reactors. In this study, as-received Gr.92 and irradiated Gr.92 specimen in the oxygen-saturated liquid sodium were examined at high temperature for 300h. The microstructure results reveal the information of the effect of irradiation and effect of the chrome concentration in specimen. From the SRIM result, penetration distance of 40 μm in stainless steel and nominal sample thickness of 30 μm was used to avoid the damage peak and any proton implantation and From the microstructural evaluation, chromium-rich zones existed under the surface of the both of non-irradiated and irradiated materials. The irradiated materials showed chromium-rich zones with larger depths than the non-irradiated specimens.

Phase transformation induced by swift heavy ion irradiation of pure metals

International Nuclear Information System (INIS)

Dammak, H.; Dunlop, A.; Lesueur, D.

1996-01-01

It is now unambiguously established that high electronic energy deposition (HEED), obtained by swift heavy ion irradiation, plays an important role in the damage processes of pure metallic targets: (i) annealing of the defects created by elastic collisions in Fe, Nb, Ni and Pt, and (ii) creation of additional defects in Co, Fe, Ti and Zr. For Ti, we have recently evidenced by transmission electron microscopy observations that the damage creation by HEED is very important and leads to a phase transformation. Titanium evolves from the equilibrium hcp alpha-phase to the high pressure omega-phase. We studied the influence of three parameters on this phase transformation: ion fluence, electronic stopping power and irradiation temperature. The study of Ti and the results concerning other metals (Fe, Zr, etc.) and the semi-metal Bi allow us to propose criteria to predict in which metals HEED could induce damage: those which undergo a phase transformation under high pressure. As a matter of fact, beryllium is strongly damaged when submitted to HEED and seems to behave very similarly to titanium. The fact that such phase changes from a crystalline form to another form were only observed in those metals in which high pressure phases exist in the pressure-temperature diagram, strongly supports the Coulomb explosion model in which the generation of (i) a shock wave and (ii) collective atomic movements are invoked to account for the observed damage creation. (orig.)

Electron-irradiation induced changes in structural and magnetic properties of Fe and Co based metallic glasses

Energy Technology Data Exchange (ETDEWEB)

Kane, S.N., E-mail: kane_sn@yahoo.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Satalkar, M., E-mail: satalkar.manvi@gmail.com [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghosh, A.; Shah, M. [School of Physics, D.A. University, Khandwa Road Campus, Indore 452001 (India); Ghodke, N. [UGC-DAE CSR, University Campus, Khandwa Road, Indore 452001 (India); Pramod, R.; Sinha, A.K.; Singh, M.N.; Dwivedi, J. [Raja Ramanna Centre for Advanced Technology, P.O. CAT, Indore 452013 (India); Coisson, M.; Celegato, F.; Vinai, F.; Tiberto, P. [INRIM, Electromagnetism Division, Strada Delle Cacce 91, I-10135 TO (Italy); Varga, L.K. [RISSPO, Hungarian Academy of Sciences, P.O. Box 49, 1525 Budapest (Hungary)

2014-12-05

Highlights: • Enhancement of Ms by low electron irradiation dose in Fe-based alloy. • Variation of magnetic properties by electron irradiation induced ordered phase. • Electron irradiation alters TM-TM distance and, magnetic properties. - Abstract: Electron-irradiation induced changes in structural and, magnetic properties of Co{sub 57.6}Fe{sub 14.4}Si{sub 4.8}B{sub 19.2}Nb{sub 4}, Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} and, Co{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4} metallic glasses were studied using magnetic hysteresis and, synchrotron X-ray diffraction measurements. Results reveal composition dependent changes of magnetic properties in electron irradiated metallic glasses. A low electron irradiation dose (15 kGy) enhances saturation magnetization (up to 62%) in Fe-based alloy (Fe{sub 72}Si{sub 4.8}B{sub 19.2}Nb{sub 4}). Synchrotron XRD measurements reveal that electron irradiation transforms the amorphous matrix to a more ordered phase, accountable for changes in magnetic properties.

Generalized Rate Theory for Void and Bubble Swelling and its Application to Plutonium Metal Alloys

Energy Technology Data Exchange (ETDEWEB)

Allen, P. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Wolfer, W. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2015-10-16

In the classical rate theory for void swelling, vacancies and self-interstitials are produced by radiation in equal numbers, and in addition, thermal vacancies are also generated at the sinks, primarily at edge dislocations, at voids, and at grain boundaries. In contrast, due to the high formation energy of self-interstitials for normal metals and alloys, their thermal generation is negligible, as pointed out by Bullough and Perrin. However, recent DFT calculations of the formation energy of self-interstitial atoms in bcc metals have revealed that the sum of formation and migration energies for self-interstitials atoms (SIA) is of the same order of magnitude as for vacancies. The ratio of the activation energies for thermal generation of SIA and vacancies is presented. For fcc metals, this ratio is around three, but for bcc metals it is around 1.5. Reviewing theoretical predictions of point defect properties in δ-Pu, this ratio could possibly be less than one. As a result, thermal generation of SIA in bcc metals and in plutonium must be taken into considerations when modeling the growth of voids and of helium bubbles, and the classical rate theory (CRT) for void and bubble swelling must be extended to a generalized rate theory (GRT).

Irradiation experiment on fast reactor metal fuels containing minor actinides up to 7 at.% burnup

International Nuclear Information System (INIS)

Ohta, H.; Yokoo, T.; Ogata, T.; Inoue, T.; Ougier, M.; Glatz, J.P.; Fontaine, B.; Breton, L.

2007-01-01

Fast reactor metal fuels containing minor actinides (MAs: Np, Am, Cm) and rare earths (REs) have been irradiated in the fast reactor PHENIX. In this experiment, four types of fuel alloys, U-19Pu-10Zr, U-19Pu-10Zr-2MA-2RE, U-19Pu-10Zr-5MA-5RE and U-19Pu-10Zr-5MA (wt.%), are loaded into part of standard metal fuel stacks. The postirradiation examinations will be conducted at ∼2.4, ∼7 and ∼11 at.% burnup. As for the low-burnup fuel pins, nondestructive postirradiation tests have already been performed and the fuel integrity was confirmed. Furthermore, the irradiation experiment for the intermediate burnup goal of ∼7 at.% was completed in July 2006. For the irradiation period of 356.63 equivalent full-power days, the neutron flux level remained in the range of 3.5-3.6 x 10 15 n/cm 2 /s at the axial peak position. On the other hand, the maximum linear power of fuel alloys decreased gradually from 305-315 W/cm (beginning of irradiation) to 250-260 W/cm (end of irradiation). The discharged peak burnup was estimated to be 6.59-7.23 at.%. The irradiation behavior of MA-containing metal fuels up to 7 at.% burnup was predicted using the ALFUS code, which was developed for U-Pu-Zr ternary fuel performance analysis. As a result, it was evaluated that the fuel temperature is distributed between ∼410 deg. C and ∼645 deg. C at the end of the irradiation experiment. From the stress-strain analysis based on the preliminarily employed cladding irradiation properties and the FCMI stress distribution history, it was predicted that a cladding strain of not more than 0.9% would appear. (authors)

Atomistic simulations of dislocations in a model BCC multicomponent concentrated solid solution alloy

International Nuclear Information System (INIS)

Rao, S.I.; Varvenne, C.; Woodward, C.; Parthasarathy, T.A.; Miracle, D.; Senkov, O.N.; Curtin, W.A.

2017-01-01

Molecular statics and molecular dynamics simulations are presented for the structure and glide motion of a/2〈111〉 dislocations in a randomly-distributed model-BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. Core structure variations along an individual dislocation line are found for a/2〈111〉 screw and edge dislocations. One reason for the core structure variations is the local variation in composition along the dislocation line. Calculated unstable stacking fault energies on the (110) plane as a function of composition vary significantly, consistent with this assessment. Molecular dynamics simulations of the critical glide stress as a function of temperature show significant strengthening, and much shallower temperature dependence of the strengthening, as compared to pure BCC Fe as well as a reference mean-field BCC alloy material of the same overall composition, lattice and elastic constants as the target alloy. Interpretation of the strength versus temperature in terms of an effective kink-pair activation model shows the random alloy to have a much larger activation energy than the mean-field alloy or BCC Fe. This is interpreted as due to the core structure variations along the dislocation line that are often unfavorable for glide in the direction of the load. The configuration of the gliding dislocation is wavy, and significant debris is left behind, demonstrating the role of local composition and core structure in creating kink pinning (super jogs) and/or deflection of the glide plane of the dislocation. - Graphical abstract: Measured critical resolved shear stress scaled by the (111) shear modulus (39 GPa) necessary to achieve on-going glide as a function of temperature, for the a/2[111] screw dislocation in the model BCC Co 16.67 Fe 36.67 Ni 16.67 Ti 30 alloy. The upper and lower bounds of the critical resolved shear stress is shown in the plot. Also shown in is the measured strength for the mean-field A-atom material and BCC Fe as a function of

Cesium under pressure: First-principles calculation of the bcc-to-fcc phase transition

Science.gov (United States)

Carlesi, S.; Franchini, A.; Bortolani, V.; Martinelli, S.

1999-05-01

In this paper we present the ab initio calculation of the structural properties of cesium under pressure. The calculation of the total energy is done in the local-density approximation of density-functional theory, using a nonlocal pseudopotential including the nonlinear core corrections proposed by Louie et al. The calculation of the pressure-volume diagram for both bcc and fcc structures allows us to prove that the transition from bcc to fcc structure is a first-order transition.

New metal-organic nanomaterials synthesized by laser irradiation of organic liquids

Energy Technology Data Exchange (ETDEWEB)

Kuzmin, Stanislav L.; Wesolowski, Michal J.; Duley, Walter W. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON N2L 3G1 (Canada)

2014-03-31

A new type of metal-organic composition consisting of clusters of nanoparticles has been synthesised by laser irradiation of metallocene/benzene solutions. The metallocene molecules in this reaction become the source of the metal. Exposure to high-energy femtosecond laser pulses dehydrogenate benzene molecules and initiate the high-temperature high-pressure conditions that results in the synthesis of new materials. Irradiation experiments have been carried out on ferrocene/benzene and on other solutions. With ferrocene the synthesis of a new compound has been confirmed by X-ray powder diffraction as the peaks detected do not correspond to any known substance in the Crystallography Open Database. Theoretical simulation of the periodic structure of this new carbide predicts that it has hexagonal symmetry and a unit cell with a = 3.2A and c =2.8A. The exact structure is still uncertain but may be determined from scanning tunneling microscope (STM) studies.

Energy of a shock wave generated in different metals under irradiation by a high-power laser pulse

International Nuclear Information System (INIS)

Gus'kov, S. Yu.; Kasperczuk, A.; Pisarczyk, T.; Borodziuk, S.; Ullschmied, J.; Krousky, E.; Masek, K.; Pfeifer, M.; Skala, J.; Pisarczyk, P.

2007-01-01

The energies of a shock wave generated in different metals under irradiation by a high-power laser beam were determined experimentally. The experiments were performed with the use of targets prepared from a number of metals, such as aluminum, copper, silver and lead (which belong to different periods of the periodic table) under irradiation by pulses of the first and third harmonics of the PALS iodine laser at a radiation intensity of approximately 10 14 W/cm 2 . It was found that, for heavy metals, like for light solid materials, the fraction of laser radiation energy converted into the energy of a shock wave under irradiation by a laser pulse of the third harmonic considerably (by a factor of 2-3) exceeds the fraction of laser radiation energy converted under irradiation by a laser pulse of the first harmonic. The influence of radiation processes on the efficiency of conversion of the laser energy into the energy of the shock wave was analyzed

Enhanced moments in bcc Co{sub 1−x}Mn{sub x} on MgO(001)

Energy Technology Data Exchange (ETDEWEB)

Snow, R.J.; Bhatkar, H. [Department of Physics, Montana State University, Bozeman, MT 59715 (United States); N' Diaye, A.T.; Arenholz, E. [Advanced Light Source, Lawrence Berkeley Nat. Labs, Berkeley, CA 94720 (United States); Idzerda, Y.U., E-mail: Idzerda@montana.edu [Department of Physics, Montana State University, Bozeman, MT 59715 (United States)

2016-12-01

A 40% enhancement of the Co magnetic moment has been found for thin films of bcc Co{sub 1−x}Mn{sub x} grown by molecular beam epitaxy on a 2 nm bcc Fe buffer layer on MgO(001). Although the bcc phase cannot be stabilized in the bulk, we confirm that it is stable as an epitaxial film in the composition range x=0–0.7. Using X-ray absorption spectroscopy and X-ray magnetic circular dichroism, we show that the Co moment is a maximum of 2.38 μ{sub B} at x=0.24, while the net Mn moment remains roughly constant until x=0.24, then drops steadily. Mn is found to align parallel with Co for all ferromagnetic concentrations, up to x=0.7, where the total moment of the film abruptly collapses to zero, most likely due to the onset of the observed structural instability. - Highlights: • Stabilization of bcc Co{sub 1−x}Mn{sub x} films in the composition range of x=0 to 0.7. • Enhancement of Co moment by 40% from pure bcc Co. • Parallel alignment of Mn moment and Co moment. • Measured the elemental moment of Co and Mn as a function of composition.

Computer simulation of plastic deformation in irradiated metals

International Nuclear Information System (INIS)

Colak, U.

1989-01-01

A computer-based model is developed for the localized plastic deformation in irradiated metals by dislocation channeling, and it is applied to irradiated single crystals of niobium. In the model, the concentrated plastic deformation in the dislocation channels is postulated to occur by virtue of the motion of dislocations in a series of pile-tips on closely spaced parallel slip planes. The dynamics of this dislocation motion is governed by an experimentally determined dependence of dislocation velocity on shear stress. This leads to a set of coupled differential equations for the positions of the individual dislocations in the pile-up as a function of time. Shear displacement in the channel region is calculated from the total distance traveled by the dislocations. The macroscopic shape change in single crystal metal sheet samples is determined by the axial displacement produced by the shear displacements in the dislocation channels. Computer simulations are performed for the plastic deformation up to 20% engineering strain at a constant strain rate. Results of the computer calculations are compared with experimental observations of the shear stress-engineering strain curve obtained in tensile tests described in the literature. Agreement between the calculated and experimental stress-strain curves is obtained for shear displacement of 1.20-1.25 μm and 1000 active slip planes per channel, which is reasonable in the view of experimental observations

Metal ion protection of DNA to fast neutron irradiation

International Nuclear Information System (INIS)

Constantinescu, B.; Bugoi, R.; Radulescu, I.; Radu, L.

1998-01-01

The most important effects of the ionising radiation are the single and double strand breaks (SSB and DBS), modifications of the DNA bases and deoxyribose, as well as the occurrence of alkali and heat labile sites (revealed as strand breaks after alkaline or thermic treatment of irradiated DNA). The ionising particles can have either direct effects on the DNA constituents or indirect effects, mediated by the OH - radicals, produced by water radiolysis. The occurrence of SSB and DSB in the chromatin DNA strands is supposed to hinder the DNA-dye complex formation. Usually, the dyes present different fluorescence parameters in the two possible states, so one can correlate the lifetime or the quantum yield with the extent of the damage. We took into account the protective effect offered both by histones, which behave as 'scavenger molecules' for OH - radicals and by the high compactness of DNA chromatin. Similar protective effects might be the results of the metallic ion addition which triggers some conformational transitions of the chromatin DNA towards a highly compacted structure. In this paper we present a study of the complexes of fast neutron irradiated chromatin with proflavine. Fluorimetric and time resolved spectroscopic determinations (single photon counting method) of chromatin-Pr complexes were realised. Information regarding the chromatin protein damage were obtained by monitoring the fluorescence of Trp. The chromatin was irradiated (20-100 Gy) with fast neutrons, obtained by the reaction of 13.5 MeV deuterons on a thick beryllium target at the IFIN-HH U-120 Cyclotron. The dose mean lineal energy in water at the point of interest was 50 keV/m and the mean dose rate was 1.5 Gy/min. By fluorescence determinations, changes of the Pr intercalation parameters in fast neutron irradiated chromatin DNA have been observed. Fluorescence techniques provide valuable information on the binding equilibrium by considering the radiation deexcitation of the complex. The

A Novel Ultraviolet Irradiation Technique for Fabrication of Polyacrylamide-metal (M = Au, Pd) Nanocomposites at Room Temperature

International Nuclear Information System (INIS)

Zhou, Y.; Hao, L.Y.; Zhu, Y.R.; Hu, Y.; Chen, Z.Y.

2001-01-01

Polyacrylamide (PAM)-metal (M = gold, palladium) nanocomposites with metal nanoparticles homogeneously dispersed in the polymer matrix have been prepared via a novel ultraviolet irradiation technique at room temperature, which is based on the simultaneous occurrence of photo-reduction formation of the colloidal metal particles and photo-polymerization of the acrylamide (AM) monomer. The UV-vis absorption spectra and TEM were employed to characterize the M-PAM nanocomposites by different irradiation times. The average sizes of the colloidal gold and palladium particles dispersed in the nanocomposites were calculated by XRD patterns and TEM images. The present method may be extended to prepare other metal-polymer hybrid nanocomposite materials

Atomistic simulation of fcc—bcc phase transition in single crystal Al under uniform compression

International Nuclear Information System (INIS)

Li Li; Liang Jiu-Qing; Shao Jian-Li; Duan Su-Qing; Li Yan-Fang

2012-01-01

By molecular dynamics simulations employing an embedded atom model potential, we investigate the fcc-to-bcc phase transition in single crystal Al, caused by uniform compression. Results show that the fcc structure is unstable when the pressure is over 250 GPa, in reasonable agreement with the calculated value through the density functional theory. The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail. The bcc (011) planes are transited from the fcc (111-bar) plane and the (11-bar1) plane. We suggest that the transition mechanism consists mainly of compression, shear, slid and rotation of the lattice. In addition, our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure. (condensed matter: structural, mechanical, and thermal properties)

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

Science.gov (United States)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

High temperature embrittlement of metals by helium

International Nuclear Information System (INIS)

Schroeder, H.

1983-01-01

The present knowledge of the influence of helium on the high temperature mechanical properties of metals to be used as structural materials in fast fission and in future fusion reactors is reviewed. A wealth of experimental data has been obtained by many different experimental techniques, on many different alloys, and on different properties. This review is mostly concentrated on the behaviour of austenitic alloys -especially austenitic stainless steels, for which the data base is by far the largest - and gives only a few examples of special bcc alloys. The effect of the helium embrittlement on the different properties - tensile, fatigue and, with special emphasis, creep - is demonstrated by representative results. A comparison between data obtained from in-pile (-beam) experiments and from post-irradiation (-implantation) experiments, respectively, is presented. Theoretical models to describe the observed phenomena are briefly outlined and some suggestions are made for future work to resolve uncertainties and differences between our experimental knowledge and theoretical understanding of high temperature helium embrittlement. (author)

Inherited textures in the bcc phase furnish information about the type of transformation from the fcc phase

International Nuclear Information System (INIS)

Jung, V.

1982-07-01

Drawing annealed cylindric 18/8 Cr Ni steels, which are originally free of textures, produces the transformed phases - hcp and bcc - both showing major texture contributions with increasing stretching of the cylindric specimens. After stretching the original fcc-phase shows two orientations: [100]fcc vertical stroke vertical stroke cylinder axis and [111]fcc vertical stroke vertical stroke cylinder axis, i.e. direction of stress. In both cases the martensitic phase is produced by gliding and shear in the sequence fcc → hcp → bcc by Nishiyama-Wasserman (N-W) or Kurdjumov-Sachs (K-S) transformation in the (111)fcc planes, which enclose a small angle with direction of stress, i.e. cylinder axis. The calculated orientation distributions of the (110)bcc reflex are compared with the distribution measured by neutron diffraction to get information on the bulk material. The special K-S transformation with only 6 (110)bcc orientations shows relatively good agreement with the measured distribution, except at small angles ω between the cylinder axis and the scattering vector. This might be caused by the isotropic fraction of the fcc phase producing an anisotropic (110)bcc orientation distribution. (orig.) [de

Study of the recrystallisation of irradiated uranium; Etude sur l'uranium irradie

Energy Technology Data Exchange (ETDEWEB)

Bloch, J; Mustelier, J P; Bussy, P; Blin, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-07-01

1- Study of the recrystallisation of irradiated uranium. The recrystallisation of uranium irradiated to a burnup level of 220 MWj/t, at a temperature of the order of 350 deg. C, has been investigated. The observations were made chiefly by means of micrography an hardness measurements. If the irradiated metal is compared with a cold-drawn metal showing the same shearing of the twinned crystals, and therefore the same rate of plastic deformation, as the irradiated metal, it is noted that the restoring of the irradiated metal takes place at a considerably higher temperature than that of the cold-drawn metal. Pre-crystallisation is very much delayed. Only, a passage of the {alpha}-{beta} transformation point quickly wipes out irradiation effect. 2- Hardening of uranium by irradiation. Using hardness measurements we have studied more especially the effect of very weak irradiations on uranium (integrated flux < 10{sup 16} nvt). The hardness does not increase linearly with the flux, but a period of incubation is observed probably representing the time necessary for saturation of the dislocations. (author)Fren. [French] 1- Etude de la recristallisation de l'uranium irradie. On a etudie la recristallisation d'uranium irradie jusqu'a un taux de combustion de 220 MWj/t a une temperature de l'ordre de 350 deg. C. Les observations ont ete faites principalement a l'aide de la micrographie et de la durete. Si l'on compare le metal irradie avec un metal ecroui presentant le meme cisaillement des macles, donc le meme taux de deformation plastique que le metal irradie, on constate que la restauration du metal irradie se fait a une temperature notablement superieure a celle du metal ecroui. La recristallisation est tres retardee. Seul, un passage du point de transformation {alpha}-{beta} efface rapidement l'effet de l'irradiation. 2- Durcissement de l'uranium par irradiation. Nous avons, a l'aide de la durete, etudie plus particulierement l'effet de tres faibles irrtions sur l

Premelting hcp to bcc Transition in Beryllium

Science.gov (United States)

Lu, Y.; Sun, T.; Zhang, Ping; Zhang, P.; Zhang, D.-B.; Wentzcovitch, R. M.

2017-04-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to x-ray equipment. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp → bcc transition occurs near the melting curve at 0 materials.

Fission gas retention and axial expansion of irradiated metallic fuel

International Nuclear Information System (INIS)

Fenske, G.R.; Emerson, J.E.; Savoie, F.E.; Johanson, E.W.

1986-05-01

Out-of-reactor experiments utilizing direct electrical heating and infrared heating techniques were performed on irradiated metallic fuel. The results indicate accelerated expansion can occur during thermal transients and that the accelerated expansion is driven by retained fission gases. The results also demonstrate gas retention and, hence, expansion behavior is a function of axial position within the pin

First-principles study of atomic ordering in bcc Cu-Al

Science.gov (United States)

Lanzini, F.; Gargano, P. H.; Alonso, P. R.; Rubiolo, G. H.

2011-01-01

The order-disorder transitions and phase stability in the body centered cubic structure of Cu-Al binary alloys are studied by means of theoretical methods. The total energy of different ordered compounds sharing a common bcc Bravais lattice was calculated within the framework of density functional theory. A set of effective cluster interactions was calculated through a cluster expansion (CE) of the total energies. The finite temperature phase diagram of bcc Cu-Al was obtained using the CE formalism coupled with the cluster variation method calculation of the configurational entropy. These results are confronted with a simpler semi-empirical approach based on effective pair interactions obtained from experiment. Both approaches predict a single first-order A2/DO3 transition for compositions close to Cu3Al, in agreement with the most recent experimental results.

Characterization of defect accumulation in neutron-irradiated Mo by positron annihilation spectroscopy

DEFF Research Database (Denmark)

Eldrup, Morten Mostgaard; Li, Meimei; Snead, L.L.

2008-01-01

Positron annihilation lifetime spectroscopy measurements were performed on neutron-irradiated low carbon arc cast Mo. Irradiation took place in the high flux isotope reactor, Oak Ridge National Laboratory, at a temperature of 80 +/- 10 degrees C. Neutron fluences ranged from 2 x 10(21) to 8 x 10(......, as predicted by molecular dynamics simulations. (C) 2008 Elsevier B.V. All rights reserved....... at a very low-dose of similar to 10(-4) dpa. The average size of the cavities did not change significantly with dose, in contrast to neutron-irradiated bcc Fe where cavity sizes increased with increasing dose. It is suggested that the in-cascade vacancy clustering may be significant in neutron-irradiated Mo...

In vivo assessment of optical properties of basal cell carcinoma and differentiation of BCC subtypes by high-definition optical coherence tomography

DEFF Research Database (Denmark)

Boone, Marc; Suppa, Mariano; Miyamoto, Makiko

2016-01-01

High-definition optical coherence tomography (HD-OCT) features of basal cell carcinoma (BCC) have recently been defined. We assessed in vivo optical properties (IV-OP) of BCC, by HD-OCT. Moreover their critical values for BCC subtype differentiation were determined. The technique of semi-log plot...

Spin-polarized scanning tunneling microscopy of magnetic nanostructures at the example of bcc-Co/Fe(110), Fe/Mo(110), and copper phthalocyanine/Fe(1110); Spinpolarisierte Rastertunnelmikroskopie magnetischer Nanostrukturen am Beispiel von bcc-Co/Fe(110), Fe/Mo(110) und Kupfer-Phthalocyanin/Fe(110)

Energy Technology Data Exchange (ETDEWEB)

Methfessel, Torsten

2010-12-09

This thesis provides an introduction into the technique of spin-polarized scanning tunnelling microscopy and spectroscopy as an experimental method for the investigation of magnetic nanostructures. Experimental results for the spin polarized electronic structure depending on the crystal structure of ultrathin Co layers, and depending on the direction of the magnetization for ultrathin Fe layers are presented. High-resolution measurements show the position-dependent spin polarization on a single copper-phthalocyanine molecule deposited on a ferromagnetic surface. Co was deposited by molecular beam epitaxy on the (110) surface of the bodycentered cubic metals Cr and Fe. In contrast to previous reports in the literature only two layers of Co can be stabilized in the body-centered cubic (bcc) structure. The bcc-Co films on the Fe(110) surface show no signs of epitaxial distortions. Thicker layers reconstruct into a closed-packed structure (hcp / fcc). The bcc structure increases the spin-polarization of Co to P=62 % in comparison to hcp-Co (P=45 %). The temperature-dependent spin-reorientation of ultrathin Fe/Mo(110) films was investigated by spin-polarized spectroscopy. A reorientation of the magnetic easy axis from the [110] direction along the surface normal to the in-plane [001] axis is observed at T (13.2{+-}0.5) K. This process can be identified as a discontinuous reorientation transition, revealing two simultaneous minima of the free energy in a certain temperature range. The electronic structure of mono- and double-layer Fe/Mo(110) shows a variation with the reorientation of the magnetic easy axis and with the direction of the magnetization. The investigation of the spin-polarized charge transport through a copper-phthalocyanine molecule on the Fe/Mo(110) surface provides an essential contribution to the understanding of spin-transport at the interface between metal and organic molecule. Due to the interaction with the surface of the metal the HOMO-LUMO energy

Phenomenological understanding of dewetting and embedding of noble metal nanoparticles in thin films induced by ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Prakash, Jai, E-mail: jai.gupta1983@gmail.com [Department of Chemistry, MMH College (Ch. Charan Singh University Meerut), Ghaiziabad 201001 (India); Chemical Physics of Materials, Université Libre de Bruxelles, Campus de la Plaine, CP 243, B-1050 Bruxelles (Belgium); Tripathi, A. [Inter University Accelerator Centre, Aruna Asif Ali Marg, New Delhi 110067 (India); Gautam, Sanjeev; Chae, K.H.; Song, Jonghan [Advanced Analysis Center, Korea Institute of Science and Technology, Seoul 136–791 (Korea, Republic of); Rigato, V. [INFN Laboratori Nazionali di Legnaro, Via Romea. 4, 35020 Legnaro, Padova (Italy); Tripathi, Jalaj [Department of Chemistry, MMH College (Ch. Charan Singh University Meerut), Ghaiziabad 201001 (India); Asokan, K. [Inter University Accelerator Centre, Aruna Asif Ali Marg, New Delhi 110067 (India)

2014-10-15

The present experimental work provides the phenomenological approach to understand the dewetting in thin noble metal films with subsequent formation of nanoparticles (NPs) and embedding of NPs induced by ion irradiation. Au/polyethyleneterepthlate (PET) bilayers were irradiated with 150 keV Ar ions at varying fluences and were studied using scanning electron microscopy (SEM) and cross-sectional transmission electron microscopy (X-TEM). Thin Au film begins to dewet from the substrate after irradiation and subsequent irradiation results in spherical nanoparticles on the surface that at a fluence of 5 × 10{sup 16} ions/cm{sup 2} become embedded into the substrate. In addition to dewetting in thin films, synthesis and embedding of metal NPs by ion irradiation, the present article explores fundamental thermodynamic principles that govern these events systematically under the effect of irradiation. The results are explained on the basis of ion induced sputtering, thermal spike inducing local melting and of thermodynamic driving forces by minimization of the system free energy where contributions of surface and interfacial energies are considered with subsequent ion induced viscous flow in substrate. - Highlights: • Phenomenological interpretation of dewetting and embedding of metal NPs in thin film. • Exploring fundamental thermodynamic principles under influence of ion irradiation. • Ion induced surface/interface microstructural changes using SEM/X-TEM. • Ion induced sputtering, thermal spike induced local melting. • Thermodynamic driving forces relate to surface and interfacial energies.

Molecular dynamics simulations of the structure evolutions of Cu-Zr metallic glasses under irradiation

Energy Technology Data Exchange (ETDEWEB)

Lang, Lin [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Tian, Zean; Xiao, Shifang [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Deng, Huiqiu, E-mail: hqdeng@hnu.edu.cn [Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082 (China); Ao, Bingyun [Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621907 (China); Chen, Piheng, E-mail: chenpiheng@caep.cn [Science and Technology on Surface Physics and Chemistry Laboratory, Mianyang 621907 (China); Hu, Wangyu [College of Materials Science and Engineering, Hunan University, Changsha 410082 (China)

2017-02-15

Highlights: • The structural evolution of Cu{sub 64.5}Zr{sub 35.5} MG under irradiation was studied. • The structure clusters were analyzed using the LSCA method. • Most of these radiation damages have been self-recovered quickly. - Abstract: Molecular dynamics simulations have been performed to investigate the structural evolution of Cu{sub 64.5}Zr{sub 35.5} metallic glasses under irradiation. The largest standard cluster analysis (LSCA) method was used to quantify the microstructure within the collision cascade regions. It is found that the majority of clusters within the collision cascade regions are full and defective icosahedrons. Not only the smaller structures (common neighbor subcluster) but also primary clusters greatly changed during the collision cascades; while most of these radiation damages self-recover quickly in the following quench states. These findings indicate the Cu-Zr metallic glasses have excellent irradiation-resistance properties.

Direct Observation of the BCC (100) Plane in Thin Films of Sphere-forming Diblock Copolymers

Science.gov (United States)

Ji, Shengxiang; Nagpal, Umang; Liao, Wen; de Pablo, Juan; Nealey, Paul

2010-03-01

In sphere-forming diblock copolymers, periodic arrays of spheres are arranged in a body-centred cubic (BCC) lattice structure in bulk. However, in thin films different surface morphologies were observed as a function of the film thickness, and the transition from the hexagonal array to the BCC (110) arrangement of spheres on film surfaces was located with respect to the increase of the film thickness. Here we report the first direct observation of the BCC (100) plane in thin films of poly (styrene-b-methyl methacrylate) diblock copolymers on homogeneous substrates. By balancing the surface energies of both blocks, the lower energy BCC (100) plane corresponding to a square arrangement of half spheres, formed on film surfaces when the film thickness was commensurate with the spacing, L100, between (100) planes or greater than 2 L100. A hexagonal arrangement of spheres was only observed when the thickness was less than 2 L100 and incommensurate with 1 L100. Monte Carlo (MC) simulation confirmed our experimental observation and was used to investigate the transition of the arrangement of spheres as a function of the film thickness.

Influence of hydrostatic pressure on BCC-lattice parameter in molybdenum, niobium and vanadium with rhenium solid solutions

International Nuclear Information System (INIS)

Smol'yaninova, Eh.A.; Stribuk, E.K.; Tyavlovskij, V.I.

1987-01-01

Data on the effect of 1.8GPa hydrostatic pressure on bcc lattice parameters of solid solutions in Mo-Re, Nb-Re, V-re systems are presented. It is shown that after the application hydrostatic pressure a decrease in bcc lattice parameter is observed and the greatest change in the lattice parameter takes place in bcc of solid solutions in the Nb-Re system (DELTA A ∼ 0.0035 nm). Analysis of the experimental data obtained on the basis of calculations made for packing density change in the above-mentioned solid solutions under the pressure is carried out

Layer texture of hot-rolled BCC metals and its significance for stress-corrosion cracking of main gas pipelines

Science.gov (United States)

Perlovich, Yu. A.; Isaenkova, M. G.; Krymskaya, O. A.; Morozov, N. S.

2016-10-01

Based on data of X-ray texture analysis of hot-rolled BCC materials it was shown that the layerwise texture inhomogeneity of products is formed during their manufacturing. The effect can be explained by saturation with interstitial impurities of the surface layer, resulting in dynamical deformation aging (DDA). DDA prevents the dislocation slip under rolling and leads to an increase of lattice parameters in the external layer. The degree of arising inhomogeneity correlates with the tendency of hot-rolled sheets and obtained therefrom tubes to stress-corrosion cracking under exploitation, since internal layers have a compressive effect on external layers, and prevents opening of corrosion cracks at the tube surface.

Vibrational properties of vacancy in bcc transition metals using ...

Indian Academy of Sciences (India)

The calculated results of the formation entropy of the vacancy compared well with other available ... for Fe, Mo and W transition metals employing a third-neighbour model. ... For the atomic electron density we have chosen a power law: f (r) = fe.

Proceedings of the international conference on irradiation behaviour of metallic materials for fast reactor core components

International Nuclear Information System (INIS)

Poirier, J.; Dupouy, J.M.

In this conference are presented papers dealing with swelling of metals and alloys, (and specially ferritic steels), structural evolution and stability under irradiation, modifications of mechanical properties, consequences on the behaviour of fuel elements and the optimization of materials selection, and irradiation creep [fr

Short-to-Medium-Range Order and Atomic Packing in Zr48Cu36Ag8Al8 Bulk Metallic Glass

Directory of Open Access Journals (Sweden)

Yong Xu

2016-10-01

Full Text Available Due to its excellent glass-forming ability (GFA, the Zr48Cu36Al8Ag8 bulk metallic glass (BMG is of great importance in glass transition investigations and new materials development. However, due to the lack of detailed structural information, the local structure and atomic packing of this alloy is still unknown. In this work, synchrotron measurement and reverse Monte Carlo simulation are performed on the atomic configuration of a Zr-based bulk metallic glass. The local structure is characterized in terms of bond pairs and Voronoi tessellation. It is found that there are mainly two types of bond pairs in the configuration, as the body-centered cubic (bcc-type and icosahedral (ico-type bond pairs. On the other hand, the main polyhedra in the configuration are icosahedra and the bcc structure. That is, the bcc-type bond pairs, together with the ico-type bond pairs, form the bcc polyhedra, introducing the distortion in bcc clusters in short range. However, in the medium range, the atoms formed linear or planar structures, other than the tridimensional clusters. That is, the medium-range order in glass is of 1D or 2D structure, suggesting the imperfect ordered packing feature.

The resistance changes of carbon and metal oxide film resistors by irradiation of 60Co γ rays

International Nuclear Information System (INIS)

Okamoto, Shinichi; Fujino, Takahiro; Furuta, Junichiro; Yoshida, Toshio

1979-01-01

The resistance changes of glass-sealed deposited-carbon-film and carbon-coated-film resitors and metal oxide glazed resistors made in USA were studied by gamma-ray irradiation. (1) The resistances of deposited-carbon-film resistors of 50, 100 and 200 megohm did not change by irradiation of gamma rays up to 1.9 x 10 9 R. (2) The carbon-coated-film resistors of 100, 1000, 10000 and 100000 megohm had negative resistance changes by irradiation of gamma rays up to 9.9 x 10 8 R. (3) The resistances of metal oxide glazed resistors of 100, 1000 and 10000 megohm did not change by irradiation of gamma rays up to 8.8 x 10 8 R. When radiation monitoring instruments with hi-meg resistors are used in a gamma field with high intensity, the resistors must not be exposed to gamma rays with high doses, or the resistors which do not change by gamma-ray irradiation must be selected. (author)

Temperature dependence of critical resolved shear stress for cubic metals

International Nuclear Information System (INIS)

Rashid, H.; Fazal-e-Aleem; Ali, M.

1996-01-01

The experimental measurements for critical resolved shear stress of various BCC and FCC metals have been explained by using Radiation Model. The temperature dependence of CRSS for different cubic metals is found to the first approximation, to upon the type of the crystal. A good agreement between experimental observations and predictions of the Radiation Model is found. (author)

Metal arc welding and the risk of skin cancer

DEFF Research Database (Denmark)

Heltoft, K N; Slagor, R M; Agner, T

2017-01-01

OBJECTIVES: Arc welding produces the full spectrum of ultraviolet radiation and may be a contributory cause of skin cancer; however, there has been little research into this occupational hazard. The aim of this study is to explore if metal arc welding increases the risk of malignant melanoma and....../or basal cell carcinoma (BCC) and squamous cell carcinoma (SCC) on skin areas which may possibly be exposed (neck, head, and upper extremities). METHOD: A Danish national company-based historic cohort of 4333 male metal arc welders was followed from 1987 through 2012 to identify the risk of skin cancer....... An external reference group was established including all Danish skilled and unskilled male workers with similar age distribution. Occupational histories were gathered by questionnaires in 1986 and information about skin cancer diagnoses [BCC, SCC, cutaneous malignant melanoma (CMM), and precancerous...

The gas-bubble superlattice and the development of surface structure in He+ and H+ irradiated metals at 300 K

International Nuclear Information System (INIS)

Johnson, P.B.; Mazey, D.J.

1980-01-01

Transmission electron microscopy (TEM) is used to investigate the spatial arrangement of the small gas bubbles produced at 300 K in several fcc metals including copper and in the hcp metal titanium by 30 keV helium ion irradiation, and in copper by 16 keV proton irradiation. For the fcc metals it is found that the helium gas bubbles lie on a superlattice having a fcc structure with principal axes aligned with those of the metal matrix. The bubble lattice constant, α 1 , measured for a helium fluence just below the critical dose for radiation blistering of the metal surface (approx. equal to 4 x 10 21 He + /m 2 ) is typically approx. equal to 7 nm with bubble diameters typically approx. equal to 2 nm. For titanium, similar bubble ordering is seen is samples irradiated to a level of approx. equal to 1.5 x 10 22 He + /m 2 , with bubble sizes and spacings approximately 50% greater than those for the fcc metals. Pipe-like passages formed by the interconnection of strings of helium gas bubbles are evident in all metals studied. Superlattice formation is also a freature of the hydrogen bubble structure in copper following irradiation to a level of approx. equal to 1.3 x 10 23 H + /m 2 . At an early stage of bubble development small bubbles (approx. equal to 2 nm diameter) arranged on a lattice of spacing α 1 approx. equal to 12 nm are found. The bubble structure evolves further through several well-defined stages before radiation blistering of the surface occurs. Some implications for gas release and for synergistic effects in irradiated surfaces are suggested by these results and by those obtained in other recent experiments. (orig.)

Creep mechanisms and constitutive relations in pure metals

International Nuclear Information System (INIS)

Nix, W.D.

1979-01-01

The mechanisms of creep of pure metals is briefly reviewed and divided into two parts: steady state flow mechanisms, and non-steady state flow mechanisms and constitutive relations. Creep by diffusional flow is now reasonably well understood, with theory and experiment in good agreement. The closely related phenomenon of Harper--Dorn creep can also be understood in terms of diffusion between dislocations. Power law creep involves the climb of edge disloctions controlled by lattice self diffusion. Theoretical treatments of this process invariably give a power law exponent of 3. This natural creep law is compared with the data for FCC and BCC metals. It is suggested that diffusion controlled climb is the controlling process in BCC metals at very high temperatures. Stacking fault energy effects may preclude the possibility that creep is controlled entirely by lattice self diffusion in some FCC metals. The subject of power law breakdown is presented as a natural consequence of the transition to low temperature flow phenomena. The role of core diffusion in this transition is briefly discussed. The mechanisms are presented by which pure metals creep at elevated temperatures. While most of this review deals with the mechanisms of steady state flow, some discussion is devoted to creep flow under non-steady state conditions. This topic is discussed in connection with the development of constitutive equations for describing plastic flow in metals

Irradiation of amorphous metallic alloys: defect production and local order evolution

International Nuclear Information System (INIS)

Hillairet, J.; Balanzat, E.; Audouard, A.; Jousset, J.C.

1983-06-01

This paper deals with the problem of the nature and dynamic characteristics of the ''defects'' which are produced in metallic glasses as a result of irradiation with fast particles. It discusses also the modifications in the state of local order and other structural changes brought by the creation and migration of these defects [fr

Modelling dislocation-obstacle interactions in metals exposed to an irradiation environment

International Nuclear Information System (INIS)

Bacon, D.J.; Osetsky, Yu.N.

2005-01-01

Irradiation of metals with high-energy atomic particles creates obstacles to glide, such as voids, dislocation loops, stacking-fault tetrahedra and irradiation-induced precipitates through which dislocations have to move during plastic flow. Approximations based on the elasticity theory of defects offer the simplest treatment of strengthening, but are deficient in many respects. It is now widely recognised that a multiscale modelling approach should be used, wherein the mechanisms and strength parameters of interaction are derived by simulation of the atomic level to feed higher-level treatments based on continuum mechanics. Atomic-scale simulation has been developed to provide quantitative information on the influence of stress, strain rate and temperature. Recent results of modelling dislocations gliding under stress against obstacles in a variety of metals across a range of temperature are considered. The effects observed include cutting, absorbing and dragging obstacles. Simulations of 0 K provide for direct comparison with results from continuum mechanics, and although some processes can be represented within the continuum treatment of dislocations, others cannot

Field-ion microscope studies of the defect structure of the primary state of damage of irradiated metals

International Nuclear Information System (INIS)

Seidman, D.N.

1975-01-01

A review is presented of field ion microscope applications in studies of point defect distribution in irradiated metals. FIM results on the primary state of radiation damage in neutron and ion-irradiated iridium and tungsten, at both room-temperature and 78 0 K, showed that it consists of: (1) isolated vacancies; (2) depleted zones; (3) compact vacancy clusters of voids; and (4) dislocation loops. The fraction of vacancies stored in the dislocation loops represented a small fraction of the total vacancy concentration; in the case of tungsten it was approximately 10 percent. These FIM observations provide a simple explanation of the low yield-factor, determined by transmission electron microscopy, for a number of ion-irradiated metals

Sub-micrometer-scale patterning on Zr-based metallic glass using focused ion beam irradiation and chemical etching

Energy Technology Data Exchange (ETDEWEB)

Kawasegi, Noritaka [Graduate School of Science and Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Morita, Noboru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Yamada, Shigeru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Takano, Noboru [Graduate School of Science and Engineering for Research, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Oyama, Tatsuo [Department of Mechanical and Intellectual Systems Engineering, University of Toyama, 3190 Gofuku, Toyama 930-8555 (Japan); Ashida, Kiwamu [Advanced Manufacturing Research Institute, National Institute of Advanced Industrial Science and Technology, 1-2-1 Namiki, Tsukuba, Ibaraki 305-8564 (Japan); Momota, Sadao [Department of Intelligent Mechanical Systems Engineering, Kochi University of Technology, 185 Tosayamada, Kochi 782-8502 (Japan); Taniguchi, Jun [Department of Applied Electronics, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510 (Japan); Miyamoto, Iwao [Department of Applied Electronics, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510 (Japan); Ofune, Hitoshi [YKK Corporation, 200 Yoshida, Kurobe, Toyama 938-8601 (Japan)

2007-09-19

This report describes a method of sub-micrometer-scale rapid patterning on a Zr-based metallic glass surface using a combination of focused ion beam irradiation and wet chemical etching. We found that a Zr-based metallic glass surface irradiated with Ga{sup +} ions could be selectively etched; a concave structure with a width and depth of several tens to hundreds of nanometers rapidly formed in the irradiated area. Moreover, we determined that the etching was enhanced by the presence of Ga{sup +} ions rather than a change in the crystal structure, and the structure could be fabricated while the substrate remained amorphous. The shape of the structure was principally a function of the dose and the etch time.

Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys

DEFF Research Database (Denmark)

Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

1998-01-01

The solution energies of 4d metals in other 4d metals as well as the bcc-hcp structural energy differences in random 4d alloys are calculated by density functional theory. It is shown that the crystal structure of the host plays a crucial role in the solid solubility. A local virtual bond...

Refractory metal based superalloys

International Nuclear Information System (INIS)

Alonso, Paula R.; Vicente, Eduardo E.; Rubiolo, Gerardo H.

1999-01-01

Refractory metals are looked as promising materials for primary circuits in fission reactors and even as fusion reactor components. Indeed, superalloys could be developed which take advantage of their high temperature properties together with the benefits of a two- phase (intermetallic compound-refractory metal matrix) coherent structure. In 1993, researchers of the Office National d'Etudes et de Recherches Aerospatiales of France reported the observation of such a coherent structure in the Ta-Ti-Zr-Al-Nb-Mo system although the exact composition is not reported. The intermetallic compound would be Ti 2 AlMo based. However, the formation of this compound and its possible coexistence with a disordered bcc phase in the ternary system Ti-Al-Mo is a controversial subject in the related literature. In this work we develop a technique to obtain homogeneous alloys samples with 50 Ti-25 Al-25 Mo composition. The resulting specimens were characterized by optical and electronic metallography (SEM), microprobe composition measurements (EPMA) and X-ray diffraction (XRD) analyses. The results show the evidence for a bcc (A2→B2) ordering reaction in the Ti-Al-Mo system in the 50 Ti-25 Al-25 Mo composition. (author)

Adjoint sensitivity analysis applied on a model of irradiation assisted degradation of metals in aqueous systems

International Nuclear Information System (INIS)

Simonson, S.A.; Ballinger, R.G.; Christensen, R.A.

1990-01-01

Irradiation of an aqueous environment results, in general, in a steady state concentration of oxidizing chemical species in solution. Although the effect may be beneficial to the metal in contact with the solution in some cases, say by producing a more protective film, it is generally believed to be detrimental. The ability to predict the concentrations of the oxidizing species and from this begin to analyze the detrimental behavior on the metals requires computer codes that model the chemical reactions, production rates, and diffusion characteristics of the species being produced by irradiation. The large number of parameters and the complexity of the interactions involved in the predictions of irradiation effects on metals degradation requires a more sophisticated approach to determining the sensitivities of the final results. Monte Carlo techniques are too computationally intensive for practical use in determining sensitivities. The paper presents an approach, adjoint sensitivity analysis, that is more practical, i.e., three computer runs versus thousands, and also a more accurate measure of the sensitivities of the model

States of light positive particles in metals

International Nuclear Information System (INIS)

Klamt, A.G.

1987-01-01

The states of light positively charged particles in metals are treated in tight-binding approximation. The polaron states of the particles are investigated. The 'molecular crystal model' and an interstitial model' are treated. Moreover, the particle-lattice coupling of excited particles is treated for fcc and bcc lattices. (BHO)

Effect of ion irradiation on tensile ductility, strength and fictive temperature in metallic glass nanowires

International Nuclear Information System (INIS)

Magagnosc, D.J.; Kumar, G.; Schroers, J.; Felfer, P.; Cairney, J.M.; Gianola, D.S.

2014-01-01

Ion irradiation of thermoplastically molded Pt 57.5 Cu 14.3 Ni 5.7 P 22.5 metallic glass nanowires is used to study the relationship between glass structure and tensile behavior across a wide range of structural states. Starting with the as-molded state of the glass, ion fluence and irradiated volume fraction are systematically varied to rejuvenate the glass, and the resulting plastic behavior of the metallic glass nanowires probed by in situ mechanical testing in a scanning electron microscope. Whereas the as-molded nanowires exhibit high strength, brittle-like fracture and negligible inelastic deformation, ion-irradiated nanowires show tensile ductility and quasi-homogeneous plastic deformation. Signatures of changes to the glass structure owing to ion irradiation as obtained from electron diffraction are subtle, despite relatively large yield strength reductions of hundreds of megapascals relative to the as-molded condition. To reconcile changes in mechanical behavior with glass properties, we adapt previous models equating the released strain energy during shear banding to a transit through the glass transition temperature by incorporating the excess enthalpy associated with distinct structural states. Our model suggests that ion irradiation increases the fictive temperature of our glass by tens of degrees – the equivalent of many orders of magnitude change in cooling rate. We further show our analytical description of yield strength to quantitatively describe literature results showing a correlation between severe plastic deformation and hardness in a single glass system. Our results highlight not only the capacity for room temperature ductile plastic flow in nanoscaled metallic glasses, but also processing strategies capable of glass rejuvenation outside of the realm of traditional thermal treatments

Binary-collision-approximation-based simulation of noble gas irradiation to tungsten materials

International Nuclear Information System (INIS)

Saito, Seiki; Takayama, Arimichi; Ito, Atsushi M.; Nakamura, Hiroaki

2013-01-01

To reveal the possibility of fuzz formation of tungsten material under noble gas irradiation, helium, neon, and argon atom injections into tungsten materials are performed by binary-collision-approximation-based simulation. The penetration depth is strongly depends on the structure of the target material. Therefore, the penetration depth for amorphous and bcc crystalline structure is carefully investigated in this paper

Assessment and correction of BCC_CSM's performance in capturing leading modes of summer precipitation over North Asia

KAUST Repository

Gong, Zhiqiang

2017-11-07

This article examines the ability of Beijing Climate Center Climate System Model (BCC_CSM) in demonstrating the prediction accuracy and the leading modes of the summer precipitation over North Asia (NA). A dynamic-statistic combined approach for improving the prediction accuracy and the prediction of the leading modes of the summer precipitation over NA is proposed. Our results show that the BCC_CSM can capture part of the spatial anomaly features of the first two leading modes of NA summer precipitation. Moreover, BCC_CSM regains relationships such that the first and second mode of the empirical orthogonal function (EOF1 and EOF2) of NA summer precipitation, respectively, corresponds to the development of the El Niño and La Niña conditions in the tropical East Pacific. Nevertheless, BCC_CSM exhibits limited prediction skill over most part of NA and presents a deficiency in reproducing the EOF1\\'s and EOF2\\'s spatial pattern over central NA and EOF2\\'s interannual variability. This can be attributed as the possible reasons why the model is unable to capture the correct relationships among the basic climate elements over the central NA, lacks in its ability to reproduce a consistent zonal atmospheric pattern over NA, and has bias in predicting the relevant Sea Surface Temperature (SST) modes over the tropical Pacific and Indian Ocean regions. Based on the proposed dynamic-statistic combined correction approach, compared with the leading modes of BCC_CSM\\'s original prediction, anomaly correlation coefficients of corrected EOF1/EOF2 with the tropical Indian Ocean SST are improved from 0.18/0.36 to 0.51/0.62. Hence, the proposed correction approach suggests that the BCC_CSM\\'s prediction skill for the summer precipitation prediction over NA and its ability to capture the dominant modes could be certainly improved by choosing proper historical analogue information.

Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

KAUST Repository

Vad, Viktor

2014-06-01

In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

Towards an unbiased comparison of CC, BCC, and FCC lattices in terms of prealiasing

KAUST Repository

Vad, Viktor; Csé bfalvi, Balá zs; Rautek, Peter; Grö ller, Eduard M.

2014-01-01

In the literature on optimal regular volume sampling, the Body-Centered Cubic (BCC) lattice has been proven to be optimal for sampling spherically band-limited signals above the Nyquist limit. On the other hand, if the sampling frequency is below the Nyquist limit, the Face-Centered Cubic (FCC) lattice was demonstrated to be optimal in reducing the prealiasing effect. In this paper, we confirm that the FCC lattice is indeed optimal in this sense in a certain interval of the sampling frequency. By theoretically estimating the prealiasing error in a realistic range of the sampling frequency, we show that in other frequency intervals, the BCC lattice and even the traditional Cartesian Cubic (CC) lattice are expected to minimize the prealiasing. The BCC lattice is superior over the FCC lattice if the sampling frequency is not significantly below the Nyquist limit. Interestingly, if the original signal is drastically undersampled, the CC lattice is expected to provide the lowest prealiasing error. Additionally, we give a comprehensible clarification that the sampling efficiency of the FCC lattice is lower than that of the BCC lattice. Although this is a well-known fact, the exact percentage has been erroneously reported in the literature. Furthermore, for the sake of an unbiased comparison, we propose to rotate the Marschner-Lobb test signal such that an undue advantage is not given to either lattice. © 2014 The Eurographics Association and John Wiley & Sons Ltd. Published by John Wiley & Sons Ltd.

Influence of the intermediate bcc phase on the evolution of superfluid inclusions in hcp matrix 3He-4He

International Nuclear Information System (INIS)

Birchenko, A.P.; Mikhin, N.P.; Neoneta, A.S.; Rudavskij, Eh.Ya.; Fisun, Ya.Yu.

2016-01-01

The evolution of liquid inclusions which are formed in the hcp matrix by rapid cooling of the 3 He- 4 He solution containing 1.05% 3 He was studied by pulse NMR. The diffusion coefficient of 3 He in the liquid was measured by two-pulses spin-echo method during evolution of the inclusions. Measurements were carried out at 1.67 K which corresponds to the bcc phase existence in the phase diagram, as well as at 1.38 K, where the bcc phase is absent. It is found that in the process of the evolution, in both cases the size of the liquid inclusions is less than diffusion length and so the diffusion is restricted. The measured restricted dif-fusion coefficient allowed to find the characteristic size of the inclusions. In the first case, during the evolution of liquid inclusions, dendrites of intermediate bcc phase is forming and the inclusions are separating into a lot of smaller droplets. Due to the rapid growth of the bcc dendrites, the droplet size decreases rapidly, and the process comes to disappearance of bcc phase and an amorphous state appearance. The results obtained by measuring the diffusion coefficient, correlated with the behavior of the spin-lattice relaxation time in such a system. In the second case at a lower temperature bcc phase is not formed, and the size of the liquid inclusions decreases very slow until the completion of their solidification.

Effect of electron-excitation on radiation damage in ion-irradiated FCC metals

International Nuclear Information System (INIS)

Iwase, Akihiro

1989-06-01

FCC metals (Al, Cu, Ag, Ni) were irradiated with 0.5-1.8 MeV H, He, N and Ar ions, and 84-126 MeV C, F, Si, Cl, Br and I ions at liquid helium temperatures. After the irradiations, thermal annealing experiments were performed up to 300 K. Anomalous reduction of Stage-I recovery was observed in Al and Ni irradiated with high-energy (∼100 MeV) heavy ions. Radiation annealing by 100 MeV I ions was studied in predoped Ni and Cu. The experimental results were analyzed by using a new model which describes the production and radiation annealing of two or more types of defects. The extraordinarily large cross sections for subthreshold recombination of Stage-I defects were obtained in Ni. These results show that in Al and Ni, the energies transferred from the excited electrons to lattice through the electron-lattice interaction contribute to the annihilations of defects during irradiation. (author)

Pre-melting hcp to bcc Transition in Beryllium

OpenAIRE

Lu, Y.; Sun, T.; Zhang, Ping.; Zhang, P.; Zhang, D. -B.; Wentzcovitch, R. M.

2017-01-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Energy landscape of defects in body-centered cubic metals

International Nuclear Information System (INIS)

Alexander, Rebecca

2016-01-01

The structural materials in nuclear reactors are subjected to severe irradiation conditions, leading to changes in their mechanical properties. The aging of these materials raises important issues such as those related to the safety of existing plants and future reactors. In many cases, materials with body-centered cubic bcc crystal structure are used with iron, tungsten, vanadium and tantalum as base metal. Collisions between irradiating particles and atoms constituting materials generate point defects whose migration leads to the formation of clusters responsible for aging. In this thesis, we studied the energetic properties of point defects in the bcc metals mentioned above at the atomic scale. Modeling point defects at the atomic scale can be achieved with different methods that differ only in the quality of the description of the interaction between atoms. Studies using accurate atomic interactions such ab initio calculations are computationally costly making it impossible to directly study clusters of large sizes. The modeling of atomic interactions using semi-empirical potentials reduces the reliability of predictive calculations but allow calculations for large-sized clusters. In this thesis we have developed a unique energy model for dislocation loops as well as for three-dimensional interstitial cluster of type C15. The resulting model has no size limit and can be set entirely by ab initio calculations. To test its robustness for large sizes of clusters we also set this model with semi-empirical potentials calculations and compared the predictions of the model to atomic simulations. With our development we have determined: (i) The relative stability of interstitial dislocation loops according to their Burgers vectors. (ii) The stability of the clusters C15 compared to the type of cluster loop. We showed that the C15 type clusters are more stable when they involve less than 41 interstitials in iron. (iii) In Ta we were able to show the same stability till

Impact of silver metallization and electron irradiation on the mechanical deformation of polyimide films

Science.gov (United States)

Muradov, A. D.; Mukashev, K. M.; Yar-Mukhamedova, G. Sh.; Korobova, N. E.

2017-11-01

The impact of silver metallization and electron irradiation on the physical and mechanical properties of polyimide films has been studied. The metal that impregnated the structure of the polyimide substrate was 1-5 μm. The surface coatings contained 80-97% of the relative silver mirror in the visible and infrared regions. Irradiation was performed at the ELU-6 linear accelerator with an average beam electron energy of 2 MeV, an integral current of up to 1000 μA, a pulse repetition rate of 200 Hz, and a pulse duration of 5 μs. The absorbed dose in the samples was 10, 20, 30, and 40 MGy. The samples were deformed at room temperature under uniaxial tension on an Instron 5982 universal testing system. The structural changes in the composite materials that result from the impact of the physical factors were studied using an X-ray diffractometer DRON-2M in air at 293 K using Cu K α radiation (λαCu = 1.5418 Å). A substantial growth of mechanical characteristics resulting from the film metallization, as compared to the pure film, was observed. The growth of the ultimate strength by Δσ = 105 MPa and the plasticity by Δɛ = 75% is connected with the characteristics of the change of structure of the metallized films and the chemical etching conditions. The electron irradiation of the metallized polyimide film worsens its elastic and strength characteristics due to the formation of new phases in the form of silver oxide in the coating. The concentration of these phases increased with increasing dose, which was also the result of the violation of the ordered material structure, namely, the rupture of polyimide macromolecule bonds and the formation of new phases of silver in the coating. A mathematical model was obtained that predicts the elastic properties of silver metallized polyimide films. This model agrees with the experimental data.

Recent irradiation tests of uranium-plutonium-zirconium metal fuel elements

International Nuclear Information System (INIS)

Pahl, R.G.; Lahm, C.E.; Villarreal, R.; Hofman, G.L.; Beck, W.N.

1986-09-01

Uranium-Plutonium-Zirconium metal fuel irradiation tests to support the ANL Integral Fast Reactor concept are discussed. Satisfactory performance has been demonstrated to 2.9 at.% peak burnup in three alloys having 0, 8, and 19 wt % plutonium. Fuel swelling measurements at low burnup in alloys to 26 wt % plutonium show that fuel deformation is primarily radial in direction. Increasing the plutonium content in the fuel diminishes the rate of fuel-cladding gap closure and axial fuel column growth. Chemical redistribution occurs by 2.1 at.% peak burnup and generally involves the inward migration of zirconium and outward migration of uranium. Fission gas release to the plenum ranges from 46% to 56% in the alloys irradiated to 2.9 at.% peak burnup. No evidence of deleterious fuel-cladding chemical or mechanical interaction was observed

An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

Energy Technology Data Exchange (ETDEWEB)

Kamiyama, H. (Aomori Public College, 153-4 Yamazaki, Goushi-zawa, Aomori 030-01 (Japan)); Rafii-Tabar, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Kawazoe, Y. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan)); Matsui, H. (Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980 (Japan))

1994-09-01

According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

An MD simulation of interactions between self-interstitial atoms and edge dislocation in bcc transition metals

International Nuclear Information System (INIS)

Kamiyama, H.; Rafii-Tabar, H.; Kawazoe, Y.; Matsui, H.

1994-01-01

According to our model on the mechanism of dislocation bias reduction based on the interaction of dumbbell self-interstitial atoms (SIAs) with dislocation, the bias is significantly different depending on the dumbbell configuration in the dislocation strain field. A large-scale molecular dynamics (MD) simulation is performed to reveal the stability and the mechanism of diffusion of dumbbell SIAs near the edge dislocation core in bcc iron. Most SIAs take the crowdion configuration parallel to the Burgers vector in the expansion side of the dislocation. Such crowdions are stable in the temperature range of this simulation, i.e. between 373 and 473 K, making one-dimensional random to-and-fro motion parallel to the dislocation Burgers vector staying at several atomic layers ''below'' the dislocation core. This means that the SIA does not approach the dislocation core. These results suggest that the stable configuration of SIAs is seriously affected by the dislocation resulting in a reduction of bias factor. ((orig.))

Hydrogen storage performance of Ti-V-based BCC phase alloys with various Fe content

International Nuclear Information System (INIS)

Yu, X.B.; Feng, S.L.; Wu, Z.; Xia, B.J.; Xu, N.X.

2005-01-01

The effect of Fe content on hydrogen storage characteristics of Ti-10Cr-18Mn-(32-x)V-xFe (x = 0, 2, 3, 4, 5) alloys has been investigated at 353 K. The X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images of the alloys present BCC and C14 two-phase structures for all of the Fe-containing alloys. With the increasing Fe content, the lattice parameters of the BCC phase decrease, which results in an increase of the hydrogen desorption plateau pressure of the alloys. Among the studied alloys, Ti-10Cr-18Mn-27V-5Fe alloy exhibits the smallest PCT plateau slope and a more suitable plateau pressure (0.1 MPa equ <1 MPa). The maximum and effective capacities of the alloy are 3.32 wt.% and 2.26 wt.%, respectively, which are higher than other reported Fe-containing BCC phase alloys. In addition, the V/Fe ratio in this alloy is close to that of (VFe) alloy, whose cost is much lower than that of pure V

Classification of different kinds of pesticide residues on lettuce based on fluorescence spectra and WT-BCC-SVM algorithm

Science.gov (United States)

Zhou, Xin; Jun, Sun; Zhang, Bing; Jun, Wu

2017-07-01

In order to improve the reliability of the spectrum feature extracted by wavelet transform, a method combining wavelet transform (WT) with bacterial colony chemotaxis algorithm and support vector machine (BCC-SVM) algorithm (WT-BCC-SVM) was proposed in this paper. Besides, we aimed to identify different kinds of pesticide residues on lettuce leaves in a novel and rapid non-destructive way by using fluorescence spectra technology. The fluorescence spectral data of 150 lettuce leaf samples of five different kinds of pesticide residues on the surface of lettuce were obtained using Cary Eclipse fluorescence spectrometer. Standard normalized variable detrending (SNV detrending), Savitzky-Golay coupled with Standard normalized variable detrending (SG-SNV detrending) were used to preprocess the raw spectra, respectively. Bacterial colony chemotaxis combined with support vector machine (BCC-SVM) and support vector machine (SVM) classification models were established based on full spectra (FS) and wavelet transform characteristics (WTC), respectively. Moreover, WTC were selected by WT. The results showed that the accuracy of training set, calibration set and the prediction set of the best optimal classification model (SG-SNV detrending-WT-BCC-SVM) were 100%, 98% and 93.33%, respectively. In addition, the results indicated that it was feasible to use WT-BCC-SVM to establish diagnostic model of different kinds of pesticide residues on lettuce leaves.

Production of no-carrier-added 64Cu from zinc metal irradiated under boron shielding.

Science.gov (United States)

Zinn, K R; Chaudhuri, T R; Cheng, T P; Morris, J S; Meyer, W A

1994-02-01

Positron emission tomography offers advantages for radioimmunodiagnosis of cancer but requires radionuclides of appropriate half-life that have high specific activity and high radio-purity. This work was designed to develop a viable method to produce and purify 64Cu, which has high specific activity, for positron emission tomography. 64Cu was produced at the University of Missouri Research Reactor by the nuclear reaction, 64Zn(n,p)64Cu. Highly pure zinc metal (99.9999%) was irradiated in a specially designed boron nitrite lined container, which minimized thermal neutron reactions during irradiation. A new two-step procedure was developed to chemically separate the no-carrier-added 64Cu from the zinc metal target. 64Cu recovery for 24 runs averaged 0.393 (+/- 0.007) mCi per milligram of zinc irradiated. The boron-lined irradiation container reduced unwanted zinc radionuclides 14.3-fold. Zinc radionuclides and non-radioactive zinc were separated successfully from the 64Cu. The new separation technique was fast (2 hours total time) and highly efficient for removing the zinc. The zinc separation factor for this technique averaged 8.5 x 10(-8), indicating less than 0.0000085% of the zinc remained after separation. Thus far, the highest 64Cu specific activity at end of irradiation was 683 Ci/mg Cu, with an average of 512 Ci/mg Cu for the last six analyzed runs. The boron-lined irradiation container has sufficient capacity for 75-fold larger-sized zinc targets (up to 45 g). The new separation technique was excellent for separating 64Cu, which appears to be a radionuclide with great potential for positron emission tomography.

Elemental moment variation of bcc Fe{sub x}Mn{sub 1−x} on MgO(001)

Energy Technology Data Exchange (ETDEWEB)

Bhatkar, H.; Snow, R.J. [Department of Physics, Montana State University, Bozeman, MT 59717 (United States); Arenholz, E. [Advanced Light Source, Lawrence Berkeley National Laboratories, Berkeley, CA 94720 (United States); Idzerda, Y.U., E-mail: idzerda@montana.edu [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

2017-02-01

We report the growth, structural characterization, and electronic structure evolution of epitaxially grown bcc Fe{sub x}Mn{sub 1−x} on MgO(001). It is observed that the 20 nm thick Fe{sub x}Mn{sub 1−x} alloy films remained bcc from 0.65≤x≤1, much beyond the bulk stability range of 0.88≤x≤1. X-ray absorption spectroscopy and X-ray magnetic circular dichroism show that both the Fe and Mn L{sub 3} binding energies slightly increase with Mn incorporation and that the elemental moment of Fe in the 20 nm crystalline bcc alloy film remain nearly constant, then shows a dramatic collapse near x~0.84. The Mn MCD intensity is found to be small at all compositions that exhibit ferromagnetism - Highlights: • Bcc Fe{sub x}Mn{sub 1−x} films were stabilized beyond bulk range by epitaxial growth on MgO. • XMCD shows negligible moment in Mn regardless of composition. • Fe moment stays constant until 84% Mn concentration. • Magnetic moment suddenly collapses before any structural change seen in RHEED.

Ab initio study of Cr interactions with point defects in bcc Fe

International Nuclear Information System (INIS)

Olsson, P.; Domain, Ch.; Wallenius, J.

2008-01-01

Full text of publication follows. Ferritic martensitic steels are candidate structural materials for fast neutron reactors, and in particular high-Cr reduced-activation steels. In Fe-Cr alloys, Cr plays a major role in the radiation-induced evolution of the mechanical properties. Using ab initio calculations based on density functional theory, the properties of Cr in α-Fe have been investigated. The intrinsic point defect formation energies were found to be larger in model bcc Cr as compared to those in ferromagnetic bcc Fe. The interactions of Cr with point defects (vacancy and self interstitials) have been characterised. Single Cr atoms interact weakly with vacancies but significantly with self-interstitial atoms. Mixed interstitials of any interstitial symmetry are bound. Configurations where two Cr atoms are in nearest neighbour position are generally unfavourable in bcc Fe except when they are a part of a interstitial complex. Mixed interstitials do not have as strong directional stability as pure Fe interstitials have. The effects on the results using the atom description scheme of either the ultrasoft pseudo-potential (USPP) or the projector augmented wave (PAW) formalisms are connected to the differences in local magnetic moments that the two methods predict. As expected for the Fe-Cr system, the results obtained using the PAW method are more reliable than the ones obtained with USPP. (authors)

Solubility of hydrogen and deuterium in bcc-uranium-titanium alloys

International Nuclear Information System (INIS)

Powell, G.L.; Kirkpatrick, J.R.

1996-01-01

For the bcc-U-Ti alloy system, H and D solubility measurements have been made on 12 alloy specimens ranging in composition from pure U to pure Ti and temperature range bounded by 900 K to 1,500 K. The results are described by a model within a standard error of 3%

Atomistic modeling of an impurity element and a metal-impurity system: pure P and Fe-P system

International Nuclear Information System (INIS)

Ko, Won-Seok; Lee, Byeong-Joo; Kim, Nack J

2012-01-01

An interatomic potential for pure phosphorus, an element that has van der Waals, covalent and metallic bonding character, simultaneously, has been developed for the purpose of application to metal-phosphorus systems. As a simplification, the van der Waals interaction, which is less important in metal-phosphorus systems, was omitted in the parameterization process and potential formulation. On the basis of the second-nearest-neighbor modified embedded-atom method (2NN MEAM) interatomic potential formalism applicable to both covalent and metallic materials, a potential that can describe various fundamental physical properties of a wide range of allotropic or transformed crystalline structures of pure phosphorus could be developed. The potential was then extended to the Fe-P binary system describing various physical properties of intermetallic compounds, bcc and liquid alloys, and also the segregation tendency of phosphorus on grain boundaries of bcc iron, in good agreement with experimental information. The suitability of the present potential and the parameterization process for atomic scale investigations about the effects of various non-metallic impurity elements on metal properties is demonstrated. (paper)

Surface modification of ceramics and metals by ion implantation combined with plasma irradiation

International Nuclear Information System (INIS)

Miyagawa, Soji; Miyagawa, Yoshiko; Nakao, Setsuo; Ikeyama, Masami; Saitoh, Kazuo

2000-01-01

To develop a new surface modification technique using ion implantation combined with plasma irradiation, thin film formation by IBAD (Ion Beam Assisted Deposition) and atom relocation processes such as radiation enhanced diffusion and ion beam mixing under high dose implantation have been studied. It was confirmed that the computer simulation code, dynamic-SASAMAL (IBAD version) developed in this research, is quite useful to evaluate ballistic components in film formation by high dose implantation on ceramics and metals, by ion beam mixing of metal-ceramics bi-layer and by the IBAD method including hydrocarbon deposition. Surface modification process of SiC by simultaneous irradiation of ions with a radical beam has also been studied. A composite of SiC and β-Si 3 N 4 was found to be formed on a SiC surface by hot implantation of nitrogen. The amount of β- Si 3 N 4 crystallites increased with increasing the dosage of the hydrogen radical beam during nitrogen implantation. (author)

Trapping of point defects and segregation at the free surfaces of a metal sheet under irradiation

International Nuclear Information System (INIS)

Sarce, Alicia

2003-01-01

The migration of irradiation produced vacancies and interstitials to the free surfaces of a sheet of thickness d (pure metal and binary alloys AB of hcp structure) is calculated. For alloys, the irradiation temperature when no segregation exists (critical temperature) is obtained. The anisotropy of the diffusion of point defects in the hcp lattice is explicitly included in the calculations. (author)

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

Science.gov (United States)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

Multiscale models of metal behaviour and structural change under the action of high-current electron irradiation

International Nuclear Information System (INIS)

Mayer, A E; Krasnikov, V S; Mayer, P N; Pogorelko, V V

2017-01-01

We present our models of the tensile fracture of metals in the solid and molten states, the melting and the plastic deformation of the solid metals. Also we discuss implementation of these models for simulation of the high current electron beam impact on metals. The models are constructed in the following way: the atomistic simulations are used at the first stage for investigation of dynamics and kinetics of structural defects in material (voids, dislocations, melting cites); equations describing evolution of such defects are constructed, verified, and their parameters are identified by means of comparison with the atomistic simulation result; finally, the defects evolution equations are incorporated into the continuum model of the substance behaviour on the macroscopic scale. The obtained continuum models with accounting of defects subsystems are tested in comparison with the experimental results known from literature. The proposed models not only allow one to describe the metal behaviour under the conditions of intensive electron irradiation, but they also allow one to determine the structural changes in the irradiated material. (paper)

Degradation of HT9 under simultaneous ion beam irradiation and liquid metal corrosion

Energy Technology Data Exchange (ETDEWEB)

Frazer, D., E-mail: davefrazer@berkeley.edu [Department of Nuclear Engineering, University of California, Berkeley, Berkeley, CA United States (United States); Qvist, S. [Department of Nuclear Engineering, University of California, Berkeley, Berkeley, CA United States (United States); Department of Physics and Astronomy, Uppsala University (Sweden); Parker, S.; Krumwiede, D.L. [Department of Nuclear Engineering, University of California, Berkeley, Berkeley, CA United States (United States); Caro, M.; Tesmer, J.; Maloy, S.A.; Wang, Y.Q. [Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, NM United States (United States); Hosemann, P. [Department of Nuclear Engineering, University of California, Berkeley, Berkeley, CA United States (United States)

2016-10-15

A potentially promising coolant/structural material pair for a liquid-metal-cooled fast reactors is lead bismuth eutectic (LBE) coolant with the ferritic/martensitic steel HT9. The challenge of deploying LBE, however, is the corrosive environment it creates for structural materials. This corrosion can be mitigated with precise oxygen content control in the LBE to allow for the growth of passive protective oxide layers on the surface of the steel. In this paper, results are reported from the Irradiation Corrosion Experiment II (ICE-II), which allowed the simultaneous irradiation of a sample while in contact with LBE. It was found that a characteristic multilayer structure with an outer Fe{sub 3}O{sub 4} oxide and inner FeCr{sub 2}O{sub 4} spinel was grown and the oxidation was significantly larger in the irradiated region when compared to the region that was only exposed to LBE corrosion. Possible mechanisms are discussed to help understand this irradiation enhanced corrosion behavior.

Depth distribution of displacement damage in α-iron under triple beam ion irradiation

International Nuclear Information System (INIS)

Horton, L.L.; Bentley, J.; Jesser, W.A.

1981-01-01

The depth dependence of the defect structures was determined for iron irradiated at 850 0 K with 4 MeV Fe 2+ and energetic helium and deuteron ions to 10 dpa and fusion levels of helium and deuterium. From the damage profiles, a sectioning depth of 0.9 μm was selected for studies of iron and bcc iron alloys, such as ferritic steels, utilizing similar irradiation parameters. A comparison of the experimental damage profile to the deposited energy and deposited ion profiles calculated by E-DEP-1 indicated a possible overestimate of the LSS stopping power of at least 22%

Short-range order clustering in BCC Fe-Mn alloys induced by severe plastic deformation

Science.gov (United States)

Shabashov, V. A.; Kozlov, K. A.; Sagaradze, V. V.; Nikolaev, A. L.; Lyashkov, K. A.; Semyonkin, V. A.; Voronin, V. I.

2018-03-01

The effect of severe plastic deformation, namely, high-pressure torsion (HPT) at different temperatures and ball milling (BM) at different time intervals, has been investigated by means of Mössbauer spectroscopy in Fe100-xMnx (x = 4.1, 6.8, 9) alloys. Deformation affects the short-range clustering (SRC) in BCC lattice. Two processes occur: destruction of SRC by moving dislocations and enhancement of the SRC by migration of non-equilibrium defects. Destruction of SRC prevails during HPT at 80-293 K; whereas enhancement of SRC dominates at 473-573 K. BM starts enhancing the SRC formation at as low as 293 K due to local heating at impacts. The efficiency of HPT in terms of enhancing SRC increases with increasing temperature. The authors suppose that at low temperatures, a significant fraction of vacancies are excluded from enhancing SRC because of formation of mobile bi- and tri-vacancies having low efficiency of enhancing SRC as compared to that of mono vacancies. Milling of BCC Fe100-xMnx alloys stabilises the BCC phase with respect to α → γ transition at subsequent isothermal annealing because of a high degree of work hardening and formation of composition inhomogeneity.

Vibrational entropies in metallic alloys

Science.gov (United States)

Ozolins, Vidvuds; Asta, Mark; Wolverton, Christopher

2000-03-01

Recently, it has been recognized that vibrational entropy can have significant effects on the phase stability of metallic alloys. Using density functional linear response calculations and molecular dynamics simulations we study three representative cases: (i) phase diagram of Al-rich Al-Sc alloys, (ii) stability of precipitate phases in CuAl_2, and (iii) phonon dynamics in bcc Zr. We find large vibrational entropy effects in all cases. In the Al-Sc system, vibrations increase the solid solubility of Sc in Al by decreasing the stability of the L12 (Al_3Sc) phase. This leads to a nearly ten-fold increase in the solid solubility of Sc in Al at T=800 K. In the Cu-Al system, our calculations predict that the tetragonal Laves phase of CuAl2 has 0.35 kB/atom higher vibrational entropy than the cubic CaF_2-type phase (the latter is predicted to be the T=0 K ground state of CuAl_2). This entropy difference causes a structural transformation in CuAl2 precipitates from the fluorite to the tetragonal Laves phase around T=500 K. Finally, we analyze the highly unusual dynamics of anharmonically stabilized bcc Zr, finding large diffuse-scattering intensity streaks between the bcc Bragg peaks.

bcc transition metals under pressure: results from ultrasonic interferometry and diamond-cell experiments

International Nuclear Information System (INIS)

Katahara, K.W.; Manghnani, M.H.; Ming, L.C.; Fisher, E.S.

1976-01-01

Hydrostatic pressure derivatives of the single-crystal elastic moduli, dC/sub ij//dP, have been measured ultrasonically for b.c.c. Nb--Mo and Ta--W solid solutions. The composition dependence of various electronic properties of these alloys is known to be reasonably well approximated by a rigid-electron-band filling model where e/a, the electron per atom ratio, is the primary parameter. The results indicate that the elastic moduli and their pressure derivatives may also be calculated in such a model. In particular, the dC/sub ij//dP show relatively sharp increases at e/a compositions of 5.4 for Nb--Mo and 5.7 for Ta--W. Both compositions correspond to changes in Fermi surface topology, as deduced from existing band calculations and the rigid band assumption. The results are discussed in the light of related electronic properties and possible geophysical applications. A comparison is also made between ultrasonic results and X-ray diffraction data for Nb. Using diamond-anvil pressure cell, compression of Nb was determined by X-ray diffraction up to 55 kbar in a liquid medium under purely hydrostatic conditions, and up to 175 kbar in a solid medium under nonhydrostatic conditions. The data obtained under hydrostatic conditions agree well with the ultrasonic equation of state and shock wave data, whereas the nonhydrostatic results tend to imply either a higher bulk modulus K/sub s/ or a higher (par. deltaK/sub s//par. deltaP)/sub T/

Moessbauer spectroscopy and additional study of neutron irradiated Cr-doped metallic glasses

International Nuclear Information System (INIS)

Miglierini, M.; Sitek, J.; Mihalik, M.; Zentko, A.

1990-01-01

Concentration and fluence dependent tendency of FeNiCrMoSiB metallic glass towards disordering as well as a decrease of the Curie temperature were revealed by Moessbauer and electron-positron annihilation spectroscopies and initial permeability measurements, respectively. The observed changes can be assigned to irradiation-induced defects resulting in fluctuations in chemical and/or topological short-range order. (orig.)

Primary radiation damage characterization of α-iron under irradiation temperature for various PKA energies

Science.gov (United States)

Sahi, Qurat-ul-ain; Kim, Yong-Soo

2018-04-01

The understanding of radiation-induced microstructural defects in body-centered cubic (BCC) iron is of major interest to those using advanced steel under extreme conditions in nuclear reactors. In this study, molecular dynamics (MD) simulations were implemented to examine the primary radiation damage in BCC iron with displacement cascades of energy 1, 5, 10, 20, and 30 keV at temperatures ranging from 100 to 1000 K. Statistical analysis of eight MD simulations of collision cascades were carried out along each [110], [112], [111] and a high index [135] direction and the temperature dependence of the surviving number of point defects and the in-cascade clustering of vacancies and interstitials were studied. The peak time and the corresponding number of defects increase with increasing irradiation temperature and primary knock-on atom (PKA) energy. However, the final number of surviving point defects decreases with increasing lattice temperature. This is associated with the increase of thermal spike at high PKA energy and its long timespan at higher temperatures. Defect production efficiency (i.e., surviving MD defects, per Norgett-Robinson-Torrens displacements) also showed a continuous decrease with the increasing irradiation temperature and PKA energy. The number of interstitial clusters increases with both irradiation temperature and PKA energy. However, the increase in the number of vacancy clusters with PKA energy is minimal-to-constant and decreases as the irradiation temperature increases. Similarly, the probability and cluster size distribution for larger interstitials increase with temperature, whereas only smaller size vacancy clusters were observed at higher temperatures.

In situ TEM observation of the growth and decomposition of monoclinic W18O49 nanowires

International Nuclear Information System (INIS)

Chen, C L; Mori, H

2009-01-01

The growth of monoclinic W 18 O 49 nanowires by heat treatment of a tungsten filament at ∼873 K and the decomposition of these nanowires under 200 keV electron irradiation at ∼1023 K have been investigated using in situ transmission electron microscopy (TEM). In situ TEM observation of the growth confirmed the vapor-solid growth mechanism of the monoclinic W 18 O 49 nanowires. In situ irradiation experiments revealed the formation of metallic bcc tungsten from monoclinic W 18 O 49 nanowires under 200 keV electron irradiation.

Density functional theory studies of screw dislocation core structures in bcc metals

DEFF Research Database (Denmark)

Frederiksen, Søren Lund; Jacobsen, Karsten Wedel

2003-01-01

The core structures of (I 11) screw dislocations in bee metals are studied using density functional theory in the local-density approximation. For Mo and Fe, direct calculations of the core structures show the cores to be symmetric with respect to 180degrees rotations around an axis perpendicular...... to symmetric core structures for all the studied metals....

Immediate remediation of heavy metal (Cr(VI)) contaminated soil by high energy electron beam irradiation

International Nuclear Information System (INIS)

Zhang, Jing; Zhang, Guilong; Cai, Dongqing; Wu, Zhengyan

2015-01-01

Highlights: • An immediate remediation method for Cr(VI) contaminated soil (CCS) was developed. • High energy electron beam (HEEB) irradiation could reduce Cr(VI) in CCS to Cr(III). • This effect was attributed to electrons, hydrated electrons, and reductive radicals. • This remediation method was effective, environmentally friendly, and low-cost. - Abstract: This work developed an immediate and high-performance remediation method for Cr(VI) contaminated soil (CCS) using high energy electron beam (HEEB) irradiation. The result indicated that, compared with γ-ray irradiation, HEEB irradiation displayed a significant reduction efficiency on Cr(VI) in CCS to Cr(III) with substantially lower toxicity, which was mainly attributed to the reduction effects of electrons, hydrated electrons, and reductive radicals generated in the irradiation process of HEEB. This work could provide a one-step and effective method for the remediation of heavy metal contaminated soil (HMCS)

Immediate remediation of heavy metal (Cr(VI)) contaminated soil by high energy electron beam irradiation

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jing; Zhang, Guilong [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences and Anhui Province, Hefei 230031 (China); Bioenergy Forest Research Center of State Forestry Administration, Hefei 230031 (China); Cai, Dongqing, E-mail: dqcai@ipp.ac.cn [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences and Anhui Province, Hefei 230031 (China); Bioenergy Forest Research Center of State Forestry Administration, Hefei 230031 (China); Wu, Zhengyan, E-mail: zywu@ipp.ac.cn [Key Laboratory of Ion Beam Bioengineering, Hefei Institutes of Physical Science, Chinese Academy of Sciences and Anhui Province, Hefei 230031 (China); Bioenergy Forest Research Center of State Forestry Administration, Hefei 230031 (China)

2015-03-21

Highlights: • An immediate remediation method for Cr(VI) contaminated soil (CCS) was developed. • High energy electron beam (HEEB) irradiation could reduce Cr(VI) in CCS to Cr(III). • This effect was attributed to electrons, hydrated electrons, and reductive radicals. • This remediation method was effective, environmentally friendly, and low-cost. - Abstract: This work developed an immediate and high-performance remediation method for Cr(VI) contaminated soil (CCS) using high energy electron beam (HEEB) irradiation. The result indicated that, compared with γ-ray irradiation, HEEB irradiation displayed a significant reduction efficiency on Cr(VI) in CCS to Cr(III) with substantially lower toxicity, which was mainly attributed to the reduction effects of electrons, hydrated electrons, and reductive radicals generated in the irradiation process of HEEB. This work could provide a one-step and effective method for the remediation of heavy metal contaminated soil (HMCS)

Anti-irradiation performance against helium bombardment in bulk metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5}

Energy Technology Data Exchange (ETDEWEB)

Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Bin; Dong, Chuang; Gong, Faquan; Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Zhiguang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

2013-07-15

Highlights: ► This paper used He{sup 2+} ion-irradiated metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} and the W metal with the energy of 500 keV. ► There was no significant irradiation damage phenomenon on the surface of metallic glass at different irradiation fluences. ► For irradiated W, the peeling, delamination and flaking appeared numerously at fluences of 1 × 10{sup 18} and 2 × 10{sup 18} ions/cm{sup 2}. ► The resistance to He{sup 2+} irradiation of metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} was superior to the one in W metal. -- Abstract: In order to compare the resistance to He{sup 2+} ion induced irradiation between metallic glass and polycrystal W metal, this paper used different fluences of He{sup 2+} ion-irradiated metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} and polycrystal W with an energy of 500 keV. The SRIM simulation calculation results showed that the range (1.19 μm) of He{sup 2+} in metallic glass was greater than the one (0.76 μm) in polycrystal W. The SEM analysis showed that there was no significant irradiation damage phenomenon on the surface of metallic glass, and there was only a damage layer 1.45 μm away from the surface when the fluence reached 2 × 10{sup 18} ions/cm{sup 2}. For W, there were surface peeling, flaking and other surface damages at a fluence of 1 × 10{sup 18} ions/cm{sup 2}; when the fluence increased to 2 × 10{sup 18} ions/cm{sup 2}, multilayer detachment phenomenon appeared. The surface root mean square roughness of metallic glass (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} first increased and then decreased with the increase of fluence. The surface reflectivity of (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} decreased with the increase of fluence. Through detection by XRD, it was found that (Cu{sub 47}Zr{sub 45}Al{sub 8}){sub 98.5}Y{sub 1.5} always maintained amorphous phase after different fluences of radiation. The

Nucleation and growth of a BCC Fe phase deposited on a single crystal (001) Cu film

International Nuclear Information System (INIS)

Koike, J.

1991-01-01

As a thin film overlayer grows on a substrate with a different structure, the overlayer initially adopts the substrate structure and subsequently transforms to an equilibrium bulk structure. such a growth characteristic has been extensively studied in Fe/Cu bicrystals. An Fe overlayer grown on a Cu substrate is known to have the fcc structure up to a thickness of 2 nm, whereas a thicker Fe overlayer consists of submicrometer grains of the bcc-Cu has been reported in a relatively thick Fe film and was found to consist of the Nishiyama (N), Kurdjumov-Sacks (KS), or Pitsch (P), depending on the orientation of the substrate surface. However, previous studies have not explained how the bcc structure nucleates or how the observed submicrometer polycrystalline grains form. The paper provides an understanding of these two points. Transmission electron microscopy (TEM) was used to study Fe/Cu bicrystals as the Fe thickness was varied systematically. Analysis of moire fringes, which are caused by superposition of different structures, enabled us to determine the orientation relationship between the very thin Fe layer and the Cu substrate. We show that a single variant of the P orientation relationship, which accompanies atomic rearrangement parallel to the interface, predominates at the nucleation stage of the bcc structure. Nucleation of other variants of P, N, and KS occurs with increasing Fe thickness and causes the formation of the submicrometer bcc grains

Dried gamma-irradiated sewage solids use on calcareous soils: crop yields and heavy metals uptake

International Nuclear Information System (INIS)

McCaslin, B.D.; Sivinski, J.S.

1980-01-01

The fertilizer values of gamma-irradiated digested sewage solids (RDSS) and gamma-irradiated undigested sewage solids (RUSS) have been examined on calcareous soils. Previously published data from Sandia Laboratories have shown that approximately 1 mega-rad of gamma-irradiation effectively destroys pathogenic bacteria, parasites and plant seeds in dried sewage solids. Greenhouse experiments directly comparing gamma-irradiated and non-irradiated undigested and digested dried sewage solids as fertilizers indicate little or no effect of 1 mega-rad gamma radiation treatment on plant yield or plant-nutrient uptake and demonstrated considerable benefit from using sewage solids on calcareous soils. Plant response to undigested sewage solids was considerably greater than to digested sewage solids when applied at levels that were isonitrogenous. The calcareous soils in New Mexico typically range in pH from 7.5 to 9.0, limiting the plant-availability of many elements, especially heavy metals. Soils irrigated with sewage-effluent for 40 years demonstrated beneficial use of supplied plant-nutrients with no apparent increase in plant-uptake of heavy metals. RDSS applied to a calcareous soil low in plant-available iron increased plant growth in the greenhouse considerably more than treatments with equal amounts of nitrogen, phosphorus and iron applied as common fertilizer materials. Plant tissue concentrations of Fe, Zn, Mn and Cu showed that RDSS was a good source of these nutrients. Results also indicated that the total soluble salt concentration of the RDSS was the factor most limiting plant growth. Chromium, Cd, Ni and Pd plant-tissue concentrations were apparently not increased by RDSS treatments. (Auth.)

Irradiation of tungsten with metallic diatomic molecular ions: atomic-resolution observations of depleted zones

International Nuclear Information System (INIS)

Pramanik, D.; Seidman, D.N.

1982-08-01

Direct evidence, on an atomic scale, is presented for the enhancement of damage production per projectile ion in diatomic metallic molecular ion (dimer) irradiations of tungsten as compared to monatomic metallic ion (monomer) irradiations. Irradiations were performed in situ at less than or equal to 10 K, in a field-ion microscope, employing 20 keV Ag + or W + monomer ions and the results are compared with 40 keV W 2 + or Ag 2 + dimer ion bombardments; the average energy per ion was 20 keV. First, in the near-surface region the depleted zones produced by the W 2 + dimer ions give rise to void-like contrast effects. The W + monomer ions do not produce this void-like damage. The existence of voids was explained employing a nucleation and diffusion-limited growth model which suggests that the growth can occur on a time scale -9 s, if the effective diffusivity of an atom in the fully-developed collision cascade is > 3 x 10 -4 cm 2 s -1 . Second, by counting the number of vacancies in individual depleted zones, produced by the different ions, it was demonstrated that the number of vacancies produced per incoming ion of the dimer is 1.55 times greater than the number of vacancies produced per monomer ion

Neutron irradiation damage of a stress relieved TZM alloy

International Nuclear Information System (INIS)

Abe, K.; Masuyama, T.; Satou, M.; Hamilton, M.L.

1992-01-01

The objective of this work is to study defect microstructures and irradiation hardening in a stress relieved TZM alloy after irradiation in the Fast Flux Test Facility (FFTF) using the Materials Open Test Assembly (MOTA). Disk specimens of the molybdenum alloy TZM that had been stress relieved at 1199 K (929 C) for 0.9 ks (15 min.) were irradiated in the FFTF/MOTA 1F at 679, 793 and 873 K (406, 520, and 600 C) to a fast fluence of ∼9.6 x 10 22 n/cm 2 . Microstructures were observed in a transmission electron microscope (TEM). Dislocation structures consisted of isolated loops, aggregated loops (rafts) and elongated dislocations. The size of the loops increased with the irradiation temperature. Void swelling was about 1 and 2% at 793 and 873 K (520 and 600 C), respectively. A void lattice was developed in the body centered cubic (bcc) structure with a spacing of 26 - 28 nm. The fine grain size (0.5 - 2 μm) was retained following high temperature irradiation, indicating that the stress relief heat treatment may extend the material's resistance to radiation damage up to high fluence levels. Microhardness measurements indicated that irradiation hardening increased with irradiation temperature. The relationship between the microstructure and the observed hardening was determined

Use of state variables in the description of irradiation creep and deformation of metals

International Nuclear Information System (INIS)

Hart, E.W.; Li, C.Y.

1976-01-01

The understanding of the effects of irradiation on metal creep and deformation are not yet satisfactory, owing in part to the limitations on experimentation in radiation environment. Because of such limitations, theoretical considerations must play a strong role. Virtually all of the theoretical considerations currently employed are based on micro-mechanical models for the deformation behavior. The recent theoretical and experimental development of a plastic equation of state for metal deformation has led to the identification of some of the principal micro-mechanisms in phenomenological terms. The role of the individual mechanisms can be related to the state variables of the description, and those variables are directly accessible measurable quantities. This paper explores how irradiation might affect this description. It is shown that the radiation flux and the radiation fluence are expected to affect different components of the equation of state. The resultant description makes considerable use of the information developed in radiation-free environment. 5 fig

Ion-irradiation studies of cascade damage in metals

International Nuclear Information System (INIS)

Averback, R.S.

1982-03-01

Ion-irradiation studies of the fundamental aspects of cascade damage in metals are reviewed. The emphasis of these studies has been the determination of the primary state of damage (i.e. the arrangement of atoms in the cascade region prior to thermal migration of defects). Progress has been made towards understanding the damage function (i.e. the number of Frenkel pairs produced as a function of primary recoil atom energy), the spatial configuration of vacancies and interstitials in the cascade and the cascade-induced mixing of atoms. It is concluded for these studies that the agitation of the lattice in the vicinity of energetic displacement cascades stimulates the defect motion and that such thermal spike motion induces recombination and clustering of Frenkel defects. 9 figures

The theory of dissipative structures of the kinetic system for defects of nonlinear physical system 'metal+loading+irradiation'. Part 3

International Nuclear Information System (INIS)

Tarasov, V.A.; Borikov, T.L.; Kryzhanovskaya, T.V.; Chernezhenko, S.A.; Rusov, V.D.

2007-01-01

The kinetic system for defects of physical nonlinear system 'metal + load + irradiation' is specified [1, 2, 3]. Developing the approaches offered in [4], where distinctions of mechanisms of radiating creep and areas of their applicability are formalized (depending on external parameters) for fuel and constructional metals, division of kinetic systems for defects of constructional and fuel metals is carrying out. Thus the accent on the autocatalytic features of kinetic system for defects of reactor fuel metals, resulting from the exoenergic autocatalytic character of nuclear fission reactions being the main point defect source is done. In this part of the article the basic attention is given to the kinetic of sink drains for point defects. For kinetic systems of sinks-sources new approaches for the task of boundary conditions are offered. The possible structure of the computer program modelling kinetic system for defects of nonlinear physical system 'metal + load + irradiation' is considered

Optical study of gamma irradiated sodium metaphosphate glasses containing divalent metal oxide MO (ZnO or CdO

Directory of Open Access Journals (Sweden)

E. Nabhan

Full Text Available Sodium metaphosphate glasses containing divalent metal oxide, ZnO or CdO with composition 50 P2O5 – (50 − x Na2O – x MO (ZnO, or CdO where x = 0, 10, 20 (mol% were prepared by conventional melt method. UV/visible spectroscopy and FTIR spectroscopy are measured before and after exposing to successive gamma irradiation doses (5–80 kGy. The optical absorption spectra results of the samples before irradiation reveal a strong UV absorption band at (∼230 nm which is related to unavoided iron impurities. The effects of gamma irradiation on the optical spectral properties of the various glasses have been compared. From the optical absorption spectral data, the optical band gap is evaluated. The main structural groups and the influence of both divalent metal oxide and gamma irradiation effect on the structural vibrational groups are realized through IR spectroscopy. The FTIR spectra of γ-irradiated samples are characterized by the stability of the number and position for the main characteristic band of phosphate groups. To better understood the structural changes during γ-irradiation, a deconvolution of FTIR spectra in the range 650–1450 cm−1 is made. The FTIR deconvolution results found evidence that, the changes occurring after gamma irradiation have been related to irradiation induced structural defects and compositional changes. Keywords: Sodium metaphosphate glass, UV–visible spectra, IR spectra, Deconvolution, Optical band gap, Gamma ray

Interface magnetism of 3d transition metals

DEFF Research Database (Denmark)

Niklasson, A. M. N.; Johansson, B.; Skriver, Hans Lomholt

1999-01-01

The layered resolved magnetic spin moments of the magnetic 3d bilayer interfaces Fe/V bcc, Fe/Co bcc, Fe/Cu bcc, Co/V bcc, Co/Ni fee, Co/Cu fee, Ni/V fee, Ni/Cr fcc, Ni/Cu fee and the magnetic surfaces Fe bcc, Co bcc, Co fee, and Ni fee are calculated for the (001), (011), and (111) orientations...

Structure and creep of Russian reactor steels with a BCC structure

Science.gov (United States)

Sagaradze, V. V.; Kochetkova, T. N.; Kataeva, N. V.; Kozlov, K. A.; Zavalishin, V. A.; Vil'danova, N. F.; Ageev, V. S.; Leont'eva-Smirnova, M. V.; Nikitina, A. A.

2017-05-01

The structural phase transformations have been revealed and the characteristics of the creep and long-term strength at 650, 670, and 700°C and 60-140 MPa have been determined in six Russian reactor steels with a bcc structure after quenching and high-temperature tempering. Creep tests were carried out using specially designed longitudinal and transverse microsamples, which were fabricated from the shells of the fuel elements used in the BN-600 fast neutron reactor. It has been found that the creep rate of the reactor bcc steels is determined by the stability of the lath martensitic and ferritic structures in relation to the diffusion processes of recovery and recrystallization. The highest-temperature oxide-free steel contains the maximum amount of the refractory elements and carbides. The steel strengthened by the thermally stable Y-Ti nanooxides has a record high-temperature strength. The creep rate at 700°C and 100 MPa in the samples of this steel is lower by an order of magnitude and the time to fracture is 100 times greater than that in the oxide-free reactor steels.

Shield gas induced cracks during nanosecond-pulsed laser irradiation of Zr-based metallic glass

Energy Technology Data Exchange (ETDEWEB)

Huang, Hu; Noguchi, Jun; Yan, Jiwang [Keio University, Department of Mechanical Engineering, Faculty of Science and Technology, Yokohama (Japan)

2016-10-15

Laser processing techniques have been given increasing attentions in the field of metallic glasses (MGs). In this work, effects of two kinds of shield gases, nitrogen and argon, on nanosecond-pulsed laser irradiation of Zr-based MG were comparatively investigated. Results showed that compared to argon gas, nitrogen gas remarkably promoted the formation of cracks during laser irradiation. Furthermore, crack formation in nitrogen gas was enhanced by increasing the peak laser power intensity or decreasing the laser scanning speed. X-ray diffraction and micro-Raman spectroscopy indicated that the reason for enhanced cracks in nitrogen gas was the formation of ZrN. (orig.)

Shield gas induced cracks during nanosecond-pulsed laser irradiation of Zr-based metallic glass

Science.gov (United States)

Huang, Hu; Noguchi, Jun; Yan, Jiwang

2016-10-01

Laser processing techniques have been given increasing attentions in the field of metallic glasses (MGs). In this work, effects of two kinds of shield gases, nitrogen and argon, on nanosecond-pulsed laser irradiation of Zr-based MG were comparatively investigated. Results showed that compared to argon gas, nitrogen gas remarkably promoted the formation of cracks during laser irradiation. Furthermore, crack formation in nitrogen gas was enhanced by increasing the peak laser power intensity or decreasing the laser scanning speed. X-ray diffraction and micro-Raman spectroscopy indicated that the reason for enhanced cracks in nitrogen gas was the formation of ZrN.

Proceedings of the international conference on irradiation behaviour of metallic materials for fast reactor core components

International Nuclear Information System (INIS)

Poirier, J.; Dupouy, J.M.

Radiation effects on metals or alloys used in fast reactor core components are examined in the papers presented at this conference, the accent being put on swelling and irradiation creep of steels and nickel alloys

Hydrogen storage in TiCr1.2(FeV)x BCC solid solutions

International Nuclear Information System (INIS)

Santos, Sydney F.; Huot, Jacques

2009-01-01

The Ti-V-based BCC solid solutions have been considered attractive candidates for hydrogen storage due to their relatively large hydrogen absorbing capacities near room temperature. In spite of this, improvements of some issues should be achieved to allow the technological applications of these alloys. Higher reversible hydrogen storage capacity, decreasing the hysteresis of PCI curves, and decrease in the cost of the raw materials are needed. In the case of vanadium-rich BCC solid solutions, which usually have large hydrogen storage capacities, the search for raw materials with lower cost is mandatory since pure vanadium is quite expensive. Recently, the substitutions of vanadium in these alloys have been tried and some interesting results were achieved by replacing vanadium by commercial ferrovanadium (FeV) alloy. In the present work, this approach was also adopted and TiCr 1.2 (FeV) x alloy series was investigated. The XRD patterns showed the co-existence of a BCC solid solution and a C14 Laves phase in these alloys. SEM analysis showed the alloys consisted of dendritic microstructure and C14 colonies. The amount of C14 phase increases when the amount of (FeV) decreases in these alloys. Concerning the hydrogen storage, the best results were obtained for the TiCr 1.2 (FeV) 0.4 alloy, which achieved 2.79 mass% of hydrogen storage capacity and 1.36 mass% of reversible hydrogen storage capacity

Study of the recrystallisation of irradiated uranium

International Nuclear Information System (INIS)

Bloch, J.; Mustelier, J.P.; Bussy, P.; Blin, J.

1958-01-01

1- Study of the recrystallisation of irradiated uranium. The recrystallisation of uranium irradiated to a burnup level of 220 MWj/t, at a temperature of the order of 350 deg. C, has been investigated. The observations were made chiefly by means of micrography an hardness measurements. If the irradiated metal is compared with a cold-drawn metal showing the same shearing of the twinned crystals, and therefore the same rate of plastic deformation, as the irradiated metal, it is noted that the restoring of the irradiated metal takes place at a considerably higher temperature than that of the cold-drawn metal. Pre-crystallisation is very much delayed. Only, a passage of the α-β transformation point quickly wipes out irradiation effect. 2- Hardening of uranium by irradiation. Using hardness measurements we have studied more especially the effect of very weak irradiations on uranium (integrated flux 16 nvt). The hardness does not increase linearly with the flux, but a period of incubation is observed probably representing the time necessary for saturation of the dislocations. (author) [fr

Hirsutane Sesquiterpenes from Cultures of the Basidiomycete Marasmiellus sp. BCC 22389

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Masahiko Isaka

2016-08-01

Full Text Available Abstract Two new hirsutane sesquiterpenes, marasmiellins A (1 and B (2, were isolated from cultures of the basidiomycete Marasmiellus sp. BCC 22389. The structures were elucidated on the basis of NMR spectroscopic and mass spectrometry data. The absolute configuration of marasmiellin B was determined by application of the modified Mosher’s method. Graphical Abstract

Electron probe microanalysis of a METAPHIX UPuZr metallic alloy fuel irradiated to 7.0 at.% burn-up

Energy Technology Data Exchange (ETDEWEB)

Brémier, S., E-mail: stephan.bremier@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Inagaki, K. [Central Research Institute of Electric Power Industry, Nuclear Technology Research Laboratory, 2-11-1 Iwado-kita, Komae-shi, Tokyo 201-8511 (Japan); Capriotti, L.; Poeml, P. [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany); Ogata, T.; Ohta, H. [Central Research Institute of Electric Power Industry, Nuclear Technology Research Laboratory, 2-11-1 Iwado-kita, Komae-shi, Tokyo 201-8511 (Japan); Rondinella, V.V. [European Commission, Joint Research Centre, Institute for Transuranium Elements, P.O. Box 2340, D-76125 Karlsruhe (Germany)

2016-11-15

The METAPHIX project is a collaboration between CRIEPI and JRC-ITU investigating safety and performance of a closed fuel cycle option based on fast reactor metal alloy fuels containing Minor Actinides (MA). The aim of the project is to investigate the behaviour of this type of fuel and demonstrate the transmutation of MA under irradiation. A UPuZr metallic fuel sample irradiated to a burn-up of 7 at.% was examined by electron probe microanalysis. The fuel sample was extensively characterised qualitatively and quantitatively using elemental X-ray imaging and point analysis techniques. The analyses reveal a significant redistribution of the fuel components along the fuel radius highlighting a nearly complete depletion of Zr in the central part of the fuel. Numerous rare earth and fission products secondary phases are present in various compositions. Fuel cladding chemical interaction was observed with creation of a number of intermediary layers affecting a cladding depth of 15–20 μm and migration of cladding elements to the fuel. - Highlights: • Electron Probe MicroAnalysis of a UPuZr metallic fuel alloy irradiated to 7.0 at.% burn-up. • Significant redistribution of the fuel components along the fuel radius, nearly complete depletion of Zr in the central part of the fuel. • Interactions between the fuel and the cladding with occurrence of a number of intermediary layers and migration of cladding elements to the fuel. • Safe irradiation behaviour of the base alloy fuel.

The lattice distortion around the divacancy in cubic metals using the method of lattice statics

International Nuclear Information System (INIS)

Yoshioki, S.

1976-01-01

The lattice distortion produced by a divacancy in FCC metals (Al, Cu, Ag and Au) and in BCC metals (Fe, Mo and V) has been calculated using the method of lattice statics. The model assumes non-equilibrium pairwise interactions extending out to second nearest neighbours. Roughly speaking, the relaxation volumes associated with the divacancy are twice the values for the isolated vacancy. (author)

Texture formation in metals with bcc lattice during drawing in dead rollers

International Nuclear Information System (INIS)

Gubchevskij, V.P.; Zemlyanskov, V.A.; Zlatoustovskij, D.M.; Nemkina, Eh.D.

1976-01-01

The texture of low-carbon steel, molybdenum and tungsten wires subjected to intermediate and finish drawing were studied to find whether it is common to metals with a body-centered lattice. Experimental data tend to indicate that both the intermediate drawing and the finish drawing give rise to two axial textures, or (110) and (114), parallel to the axis of drawing. It was inferred that the mechanism of the formation of texture in drawing is common to all the metals of a VCC lattice

Irradiation-induced void evolution in iron: A phase-field approach with atomistic derived parameters

International Nuclear Information System (INIS)

Wang Yuan-Yuan; Ding Jian-Hua; Huang Shao-Song; Zhao Ji-Jun; Liu Wen-Bo; Ke Xiao-Qin; Wang Yun-Zhi; Zhang Chi

2017-01-01

A series of material parameters are derived from atomistic simulations and implemented into a phase field (PF) model to simulate void evolution in body-centered cubic (bcc) iron subjected to different irradiation doses at different temperatures. The simulation results show good agreement with experimental observations — the porosity as a function of temperature varies in a bell-shaped manner and the void density monotonically decreases with increasing temperatures; both porosity and void density increase with increasing irradiation dose at the same temperature. Analysis reveals that the evolution of void number and size is determined by the interplay among the production, diffusion and recombination of vacancy and interstitial. (paper)

Clean Grain Boundary Found in C14/Body-Center-Cubic Multi-Phase Metal Hydride Alloys

Directory of Open Access Journals (Sweden)

Hao-Ting Shen

2016-06-01

Full Text Available The grain boundaries of three Laves phase-related body-center-cubic (bcc solid-solution, metal hydride (MH alloys with different phase abundances were closely examined by scanning electron microscopy (SEM, transmission electron microscopy (TEM, and more importantly, electron backscatter diffraction (EBSD techniques. By using EBSD, we were able to identify the alignment of the crystallographic orientations of the three major phases in the alloys (C14, bcc, and B2 structures. This finding confirms the presence of crystallographically sharp interfaces between neighboring phases, which is a basic assumption for synergetic effects in a multi-phase MH system.

Light-ion irradiation experiments in National Research Institute for Metals

International Nuclear Information System (INIS)

Kishimoto, Naoki; Nagakawa, Johsei; Shiraishi, Haruki

1987-01-01

National Research Institute for Metals (NRIM) has primarily focused in the mechanical testings under ion bombardment. (creep, fatigue, and fracture toughness are planned). For the purpose of carrying out those objectives, light ion cyclotron is thought one of the most suitable as an accelerator. NRIM installed AVF-type cyclotron with some modification accomodating to the irradiation testing. From the characteristics of produced particles, NRIM's cyclotron is expected to simulate fusion irradiation environment properly. Irradiation creep experiment was started in 1986. An important and difficult point for the creep measurement is the control of specimen temperature under flucturing beam heating. The problem of this fluctuation was solved by employing forced convection of helium and DC. heating. Fe-25Ni-15Cr and 316 SS have been preliminarily investigated concerning mechanism of the phase stability and the post-helium-implantation creep, etc. Fe-25Ni-15Cr was made into platelets of 0.087 x 2.5 x 20 mm 3 and 316 SS was drawn into wire of 0.8 mm in diameter. Results of preliminary experiments are as follows. For Fe-25Ni-15Cr, 1) Ni of 25 % does not improve creep resistance, 2) Minor element like Ti is important in suppressing the creep, 3) SIPA and PAG model explain the stress dependence of creep qualitatively, and for 316 SS, 4) 0.025 dpa is required to reach steady-state creep, at 2.5 x 10 -7 dpa/s, 300 deg C and 50 MPa, 5) The evolution of irradiation creep is sensitive to the damage rate, particularly in the low dpa range. (Ishimitsu, A.)

An AES Study of the Room Temperature Surface Conditioning of Technological Metal Surfaces by Electron Irradiation

OpenAIRE

Scheuerlein, C; Hilleret, Noël; Taborelli, M; Brown, A; Baker, M A

2002-01-01

The modifications to technological copper and niobium surfaces induced by 2.5 keV electron irradiation have been investigated in the context of the conditioning process occurring in particle accelerator ultra high vacuum systems. Changes in the elemental surface composition have been found using Scanning Auger Microscopy (SAM) by monitoring the carbon, oxygen and metal Auger peak intensities as a function of electron irradiation in the dose range 10-6 to 10-2 C mm-2. The surface analysis resu...

Effects of annealing time on the recovery of Charpy V-notch properties of irradiated high-copper weld metal

International Nuclear Information System (INIS)

Iskander, S.K.; Sokolov, M.A.; Nanstad, R.K.

1994-01-01

One of the options to mitigate the effects of irradiation on reactor pressure vessels is to thermally anneal them to restore the toughness properties that have been degraded by neutron irradiation. An important issue to be resolved is the effect on the toughness properties of reirradiating a vessel that has been annealed. This paper describes the annealing response of irradiated high-copper submerged-arc weld HSSI 73W. For this study, the weld has been annealed at 454 C (850 F) for lengths of time varying between 1 and 14 days. The Charpy V-notch 41-J (30-ft-lb) transition temperature (TT 41J ) almost fully recovered for the longest period studied, but recovered to a lesser degree for the shorter periods. No significant recovery of the TT 41J was observed for a 7-day anneal at 343 C (650 F). At 454 C for the durations studied, the values of the upper-shelf impact energy of irradiated and annealed weld metal exceeded the values in the unirradiated condition. Similar behavior was observed after aging the unirradiated weld metal at 460 and 490 C for 1 week

Nuclear prehistory influence on transfer velocity of 54Mn impurity 'hot' atoms in irradiated metallic iron

International Nuclear Information System (INIS)

Alekseev, I.E.

2007-01-01

Influence of nuclear prehistory on transfer velocity of 54 Mn impurity 'hot'-atoms - got by different nuclear channels: 56 Fe(d, α), 54 Fe(n,p) in irradiated metallic iron - is studied. Irradiation of targets were carried out in U-120 accelerator (energy range 7.3/5.3 MeV, deuteron beam current makes up 5 μA). Mean density of thermal neutron (WWR-M reactor) makes up 8.6·10 13 neutron·cm -2 ·s -1 . It is shown, that transfer velocity of 54 Mn 'hot' atoms is defining by rate of radiation damage of targets in the irradiation process at that a key importance has a bombarding particles type applied for radioactive label getting

The valence state of Yb metal under high pressure determined by XANES measurement up to 34.6 GPa

International Nuclear Information System (INIS)

Fuse, Akinori; Nakamoto, Go; Kurisu, Makio; Ishimatsu, Naoki; Tanida, Hajime

2004-01-01

The purpose of this study was to accurately determine the valency of Yb at high pressure and room temperature and to clarify the relation between the valence state and the crystal structure of Yb metal. L III -edge X-ray absorption near-edge structure (XANES) spectra were measured to determine the valence state of Yb metal in the pressure range from 0 to 34.6 GPa at room temperature, using a diamond anvil cell (DAC) and synchrotron radiation at SPring-8. In the fcc phase, Yb metal exhibits mixed valence (the mean valence ν-bar >2.1). At the fcc-to-bcc phase transition, a 0.1 jump is found in ν-bar. In the bcc phase, ν-bar(P) is an increasing function of pressure with downward curvature, reaching only 2.55 at 26 GPa. The ν-bar is only 2.65 in the hcp phase at 34.6 GPa. A tendency for saturation in ν-bar(P) to values smaller than 3.0 is found

Determination of the mechanical characteristics of irradiated metals from the results of microhardness tests

International Nuclear Information System (INIS)

Hofman, A.

1999-01-01

To predict the possibilities of using structural materials in nuclear and thermonuclear reactors, it is important to have data on changes of the mechanical characteristics and irradiation obtained from full-scale or simulation tests. Materials are irradiated in nuclear reactors with fast neutrons, the sources of high-energy neutrons with an energy of 14 MeV and the accelerators of charged particles. The restricted volumes for irradiation of these specimens in the systems and also the need to test large numbers of specimens under the same conditions make it necessary to reduce the size of irradiated specimens. To solve this problem, work is being carried out to develop various methods of testing miniature specimens, including tension extrusion of disc-shaped micro-specimens, microhardness, and the Charpy Method. In examination of the irradiation hardening of the materials, the main advantage of the microhardness method is that it makes it possible to examine small specimens. In single microhardness tests, only a small area of the irradiated specimens is examined. This makes it possible to increase the radiation dose and carry out subsequent tests of microhardness on the same specimens. The aim of this work was to determine the possibilities of using the microhardness measurement method for evaluating the mechanical characteristics of metallic materials. The comparison of the data, obtained in microhardness tests and in tensile loading specimens of 0Kh18N10Tsteel, irradiated with neutrons, shows the efficiency of the microhardness method as a tool for investigating the irradiation hardening of reactor materials

High-resolution electron microscopy studies of the precipitation of copper under neutron irradiation in an Fe-1.3WT% Cu alloy

International Nuclear Information System (INIS)

Nicol, A. C.

1998-01-01

We have studied by electron microscopy the copper-rich precipitates in an Fe-1.3wt%Cu model alloy irradiated with neutrons to doses of 8.61 x 10 -3 dpa and 6.3 x 10 -2 dpa at a temperature of ∼270 C. In the lower dose material a majority (ca. 60%)of the precipitates visible in high-resolution electron microscopy were timed 9R precipitates of size ∼2-4 nm, while ca. 40% were untwinned. In the higher dose material, a majority (ca. 75%) of visible precipitates were untwinned although many still seemed to have a 9R structure. The average angle α between the herring-bone fringes in the twin variants was measured as 125 degree, not the 129 degree characteristic of precipitates in thermally-aged and electron-irradiated material immediately after the bcc->9R martensitic transformation. We argue that these results imply that the bcc->9R transformation of small (<4 nm) precipitates under neutron irradiation takes place at the irradiation temperature of 270 C rather than after subsequent cooling. Preliminary measurements showed that precipitate sizes did not depend strongly on dose, with a mean diameter of 3.4 ± 0.7 nm for the lower dose material, and 3.0 ± 0.5 nm for the higher dose material. This result agrees with the previous assumption that the lack of coarsening in precipitates formed under neutron irradiation is a consequence of the partial dissolution of larger precipitates by high-energy cascades

Application of constrained equilibrium thermodynamics to irradiated alloy systems

Science.gov (United States)

Holloway, James Paul; Stubbins, James F.

1984-05-01

Equilibrium thermodynamics are applied to systems with an excess of point defects to calculate the relative stability of phases. It is possible to model systems with supersaturation levels of vacancies and interstitials, such as those found under irradiation. The calculations reveal the extent to which phase compositional boundaries could shift when one phase or both in a two phase system contain an excess of point defects. Phase boundary shifts in the Ni-Si, Fe-Ni, Ni-Cr, and Fe-Cr systems are examined as a function of the number of excess defects in each phase. It is also found that the critical temperature of the sigma phase in the Fe-Cr system and the fcc-bcc transition in the Fe-Ni are sensitive to excess defect concentrations. These results may apply to local irradiation-induced phase transformations in the presence of solute segregation.

Study of short range order in alloy of glassy metals and effect of neutron irradiation on them

International Nuclear Information System (INIS)

Habibi, S.; Banaee, N.; Salman, M.; Gupta, A.; Principi, G.

2000-04-01

In this paper, we have studied a series of glassy metals with composition Fe 78-x Ni x Si 8 B 14 with x=0, 15, 25,38,53, 58. We have used Moessbauer spectroscopy to get information about short range order and local structure in these alloys. The specimens are exposed to neutron irradiation to perturb local structure and their short range order. The hyperfine parameters obtained from spectra before and after n-irradiation and are compared

Irradiation of Liquid Fungi Isolated Media from Contaminated Sources with Heavy Metals Additive

International Nuclear Information System (INIS)

Tawfiq, E.; Mohamed, A.A.; El-Kabbany, H.M.

2012-01-01

Occupational lead exposure is an important health issue in Egyptian workers, employees of paint factories, workers of copying centres, drivers, and tile making factories are in higher risk of lead toxicity. Wastewater, particularly from electroplating, paint, leather, metal and tanning industries, contain enormous amount of heavy metals. Microorganisms including fungi have been reported to exclude heavy metals from wastewater through bioaccumulation and bio sorption at low cost and in eco-friendly way. Low level lead exposure can significantly induce motor dis functions and cognitive impairment in children. Seventy six fungal isolates tolerant to heavy metals like Pb, Cd, Cr and Ni were isolated from sewage, sludge and industrial effluents containing heavy metals. Four fungi (Phanerochaete chrysosporium, Aspergillus awamori, Aspergillus flavus, Trichoderma viride) were included in this study. The majority of the fungal isolates were able to tolerate up to 400 ppm concentration of Pb, Cd, Cr and Ni. The most heavy metal tolerant fungi were studied for removal of heavy metals from liquid media at 50 ppm concentration. Results indicated removal of substantial amount of heavy metals by some of the fungi with respect to Pb, Cd, Cr and Ni with maximum uptake of 59.67, 16.25, 0.55 and 0.55 mg/g by fungi Pb 3 (Aspergillus terreus), Trichoderma viride, C r 8 (Trichoderma longibrachiatum), and isolate Ni 27 (A. niger), respectively. This indicated the potential of these fungi as bio sorbent for removal of heavy metals from wastewater and industrial effluents containing higher concentration of heavy metals. The F-ratio was 0.55 and gives non-significant as irradiated

Nucleation path of helium bubbles in metals during irradiation

International Nuclear Information System (INIS)

Morishita, Kazunori

2008-01-01

Thermodynamical formalization is made for description of the nucleation and growth of helium bubbles in metals during irradiation. The proposed formalization is available or evaluating both microstructural changes in fusion first wall materials where helium is produced by (n, α) nuclear transmutation reactions, and those in fusion divertor materials where helium particles with low energy are directly implanted. Calculated nucleation barrier is significantly reduced by the presence of helium, showing that a helium bubble with an appropriate number of helium atoms depending on bubble size can nucleate without any large nucleation barriers, even at a condition where an empty void has very large nucleation barrier without helium. With the proposed thermodynamical formalization, the nucleation and growth process of helium bubbles in iron during irradiation is simulated by the kinetic Monte-Carlo (KMC) technique. It shows the nucleation path of a helium bubble on the (N He , N V ) space as functions of temperatures and the concentration of helium in the matrix, where N He and N V are the number of helium atoms and vacancies in the helium bubble, respectively. Bubble growth rates depend on the nucleation path and suggest that two different mechanisms operate for bubble growth: one is controlled by vacancy diffusion and the other is controlled by interstitial helium diffusion. (author)

Experimental observations elucidating the mechanisms of structural bcc-hcp transformations in ?-Ti alloys

NARCIS (Netherlands)

Van Bohemen, S.M.C.; Sietsma, J.; Van der Zwaag, S.

2006-01-01

The formation mechanisms of two hcp ? phase morphologies in Ti-4.5Fe-6.8Mo-1.5Al have been investigated by optical microscopy (OM), atomic force microscopy (AFM), electron probe microanalysis (EPMA) and dilatometry. At relatively high temperatures primary ? forms predominantly on prior bcc ? grain

Transmission electron microscopy characterization of irradiated U-7Mo/Al-2Si dispersion fuel

International Nuclear Information System (INIS)

Gan, J.; Keiser, D.D.; Wachs, D.M.; Robinson, A.B.; Miller, B.D.; Allen, T.R.

2010-01-01

The plate-type dispersion fuels, with the atomized U(Mo) fuel particles dispersed in the Al or Al alloy matrix, are being developed for use in research and test reactors worldwide. It is found that the irradiation performance of a plate-type dispersion fuel depends on the radiation stability of the various phases in a fuel plate. Transmission electron microscopy was performed on a sample (peak fuel mid-plane temperature ∼109 deg. C and fission density ∼4.5 x 10 27 f m -3 ) taken from an irradiated U-7Mo dispersion fuel plate with Al-2Si alloy matrix to investigate the role of Si addition in the matrix on the radiation stability of the phase(s) in the U-7Mo fuel/matrix interaction layer. A similar interaction layer that forms in irradiated U-7Mo dispersion fuels with pure Al matrix has been found to exhibit poor irradiation stability, likely as a result of poor fission gas retention. The interaction layer for both U-7Mo/Al-2Si and U-7Mo/Al fuels is observed to be amorphous. However, unlike the latter, the amorphous layer for the former was found to effectively retain fission gases in areas with high Si concentration. When the Si concentration becomes relatively low, the fission gas bubbles agglomerate into fewer large pores. Within the U-7Mo fuel particles, a bubble superlattice ordered as fcc structure and oriented parallel to the bcc metal lattice was observed where the average bubble size and the superlattice constant are 3.5 nm and 11.5 nm, respectively. The estimated fission gas inventory in the bubble superlattice correlates well with the fission density in the fuel.

Positron annihilation lifetime study of low temperature irradiated metals

Energy Technology Data Exchange (ETDEWEB)

Kuramoto, Eiichi [Kyushu Univ., Kasuga, Fukuoka (Japan). Research Inst. for Applied Mechanics

1997-11-01

Positron annihilation lifetime measurements have been made for electron and neutron irradiated Fe, Fe-Cr, Fe-Cu, Fe-Si, Fe-16Cr-17Ni specimens, and isochronal annealing behaviors were obtained for these metals and alloys. It was found that vacancies start to migrate at about 200 K in Fe and form microvoids, but by the addition of small amount of alloying elements this behavior was changed depending on the alloying elements. Positron lifetime calculations were made to explain the experimental results using EAM (embedded atom method) type potential for the lattice relaxation and the atomic superposition method for the lifetime calculation. Fairly good agreements were obtained for the positron lifetime in a vacancy in Fe and other alloys. (author)

SCANNING VOLTA POTENTIALS MEASUREMENTS OF METALS IN IRRADIATED AIR.

Energy Technology Data Exchange (ETDEWEB)

ISAACS, H.S.; ADZIC, G.; AND ENERGY SCIENCES AND TECHNOLOGY DEPARTMENT; JEFFCOATE, C.S.

2000-10-22

A method for direct dc measurement of the Volta potential is presented. High intensity synchrotron x-ray beams were used to locally irradiate the atmosphere adjacent to the metal surface and produce a conducting path between a sample and a reference probe. The direct measurements of potential in the ionized air could be made at probe heights of around 1 mm compared to less than 0.1 mm for the Kelvin probe. The measurements were similar to traditional Kelvin probe measurements, but had a poorer spatial resolution. In contrast to the Kelvin probe methods, the approach described allows observation of the current as a function of impressed voltage. Methods to improve the special resolution of the technique and applications to corrosion under coating will be presented.

An analytic n-body potential for bcc Iron

Energy Technology Data Exchange (ETDEWEB)

Pontikis, V. [Commissariat a l' Energie Atomique, DRECAM/LSI, CE de Saclay, Building 524, Room 40B, 91191 Gif-sur-Yvette Cedex (France)]. E-mail: Vassilis.Pontikis@cea.fr; Russier, V. [Centre d' Etudes de Chimie Metallurgique, CNRS UPR2801, 94407 Vitry-sur-Seine (France); Wallenius, J. [Royal Institute of Technology, Department of Nuclear and Reactor Physics, Stockholm (Sweden)

2007-02-15

We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works.

An analytic n-body potential for bcc Iron

International Nuclear Information System (INIS)

Pontikis, V.; Russier, V.; Wallenius, J.

2007-01-01

We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works

Instrumented indentation for characterization of irradiated metals at room and high temperatures

International Nuclear Information System (INIS)

Sacksteder, Irene

2011-01-01

The reliability and sustainability of future fusion power plants will highly depend on the aptitude of materials to withstand severe irradiation conditions induced by the burning plasma in reactors. The so-called reduced-activation ferritic-martensitic (RAFM) steels are the current promising candidates for the structural applications considering the reactor's first wall. These steels exhibit irradiation embrittlement and hardening for defined irradiation conditions that are mainly characterized by the irradiation temperature and the irradiation dose. A proper characterization of such irradiated steels implies the use of adapted mechanical testing tools. In the present study, the instrumented indentation technique makes use of a post-processing tool based on neural networks. This technique has been selected for its ability to examine tensile properties by multistage indents on miniaturized irradiated metallic samples. The steel specimens studied in this project have been neutron-irradiated up to a dose of 15 dpa. They have been subsequently tested at room temperature in a Hot Cell by means of an adapted commercial indentation device. The significant irradiation-induced hardening effect present in the range of 250-350 deg C could be observed in the hardness and material's strength parameters. These two material parameters show a similar evolution with increasing irradiation temperatures. Post-irradiation annealing treatments of Eurofer97 have been realized and leads to a partial recovery of the irradiation damage. Considering the demands for characterization in irradiated steels at high temperature and for post-irradiation annealing experiments, the existing instrumented indentation device has been further developed during this work. A conceptual design has been proposed for an indentation testing machine, operating at up to 650 deg C, while remaining the critical temperature limit for tensile strength of the newly developed oxide dispersion strengthening ferritic

Control of in-plane texture of body centered cubic metal thin films

International Nuclear Information System (INIS)

Harper, J.M.; Rodbell, K.P.; Colgan, E.G.; Hammond, R.H.

1997-01-01

We show that dramatically different in-plane textures can be produced in body centered cubic (bcc) metal thin films deposited on amorphous substrates under different deposition conditions. The crystallographic orientation distribution of polycrystalline bcc metal thin films on amorphous substrates often has a strong left-angle 110 right-angle fiber texture, indicating that {110} planes are parallel to the substrate plane. When deposition takes place under bombardment by energetic ions or atoms at an off-normal angle of incidence, the left-angle 110 right-angle fiber texture develops an in-plane texture, indicating nonrandom azimuthal orientations of the crystallites. Three orientations in Nb films have been observed under different deposition geometries, in which the energetic particle flux coincides with channeling directions in the bcc crystal structure. In-plane orientations in Mo films have also been obtained in magnetron sputtering systems with various configurations. These are described, and an example is given in which the in-plane orientation of Mo films deposited in two different in-line magnetron sputtering systems differs by a 90 degree rotation. In these two cases, there is a strong left-angle 110 right-angle fiber texture, but the in-plane left-angle 100 right-angle direction is oriented parallel to the scan direction in one system, and perpendicular to the scan direction in the other system. The conditions which produce such different in-plane textures in two apparently similar sputtering systems are discussed. copyright 1997 American Institute of Physics

133Xe release during post-irradiation annealing of uranium metal in the presence of a constant volume of air Pt. 1

International Nuclear Information System (INIS)

Marei, S.A.; El-Garhy, M.; El-Bayoumy, S.; Muenze, R.; Hladik, O.

1978-01-01

The fractional release of 133 Xe at different temperatures was studied as a function of time in the presence of air during post-irradiation annealing of uranium metal. The relation between the fractional release and tsup(1/2) was found to be irregular. There is an initial step in the annealing curves (at the temperature range of 400-710 deg C) which decreases by increasing temperature and totally disappears at the high temperature of 800-1000 deg C. The initial step was found to be due to the surface oxidation of uranium metal. The other two parts of the release curves are normal for 133 Xe release from uranium metal. Since in this work the irradiation temperature is low ( 133 Xe. (T.G.)

Radiation clusters formation and evolution in FCC metals at low-temperature neutron irradiation up to small damage fluences

International Nuclear Information System (INIS)

Kozlov, A.V.; Shcherbakov, E.N.; Asiptsov, O.I.; Skryabin, L.A.; Portnykh, I.A.

2006-01-01

Methods of transmission electron microscopy and precision size measurements are used to study the formation of radiation-induced clusters in FCC metals (Ni, Pt, austenitic steels EhI-844, ChS-68) irradiated with fast neutron (E>0.1 MeV) fluences from 7 x 10 21 up to 3.5 x 10 22 m -2 at a temperature of 310 K. Using statistical thermodynamic methods the process of radiation clusters formation and evolution is described quantitatively. The change in the concentration of point defects under irradiation as well as size variations of irradiated specimens on annealing are calculated [ru

Neutron scattering for investigation into the connection between phonons and diffusion in metallic systems

International Nuclear Information System (INIS)

Herzig, C.

1995-01-01

For examining the connection between the diffusion systematics and the lattice dynamics of the body-centered cubic metals, the temperature dependence of the self-diffusion (radiotracer technique) and the phonon dispersion (neutron scattering) have been measured in selected systems. In continuation of previous studies, the goal of the examinations reported was to put the earlier developed phonon-related diffusion model on a broader experimental basis, in order to perform verifying analyses. The phonon dispersion of the group 5 metal Nb has been measured up to high temperatures. In contrast to the values measured for the group 4 (β-Zr) and group 6 (Cr) metals, the dispersion in Nb revealed an only very weak temperature dependence. The exceptional case of the bcc β-Tl has been examined by measuring the diffusion and the dispersion in the β-T 83 In 17 alloy. Significant deviations from the conditions in the bcc transition metals have been found. Self-diffusion has been measured for the first time in Ba and β-Sc. Their diffusion systematics correlate with electron configuration. The influence of the d-electron concentration on the diffusion systematics has been measured in Ti-Mo and Hf-Nb alloys, the results backing the predictions of the phonon-related diffusion model. (orig.) [de

Mesoscale plastic texture in body-centered cubic metals under uniaxial load

Czech Academy of Sciences Publication Activity Database

Gröger, Roman; Vitek, V.; Lookman, T.

2017-01-01

Roč. 1, č. 6 (2017), s. 063601 E-ISSN 2475-9953 R&D Projects: GA MŠk(CZ) LQ1601; GA ČR(CZ) GA16-13797S Institutional support: RVO:68081723 Keywords : dislocations * mesoscale * bcc metals Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

MAPPING FLOW LOCALIZATION PROCESSES IN DEFORMATION OF IRRADIATED REACTOR STRUCTURAL ALLOYS - FINAL REPORT. Nuclear Energy Research Initiative Program No. MSF99-0072. Period: August 1999 through September 2002. (ORNL/TM-2003/63)

Energy Technology Data Exchange (ETDEWEB)

Farrell, K.

2003-09-26

Metals that can sustain plastic deformation homogeneously throughout their bulk tend to be tough and malleable. Often, however, if a metal has been hardened it will no longer deform uniformly. Instead, the deformation occurs in narrow bands on a microscopic scale wherein stresses and strains become concentrated in localized zones. This strain localization degrades the mechanical properties of the metal by causing premature plastic instability failure or by inducing the formation of cracks. Irradiation with neutrons hardens a metal and makes it more prone to deformation by strain localization. Although this has been known since the earliest days of radiation damage studies, a full measure of the connection between neutron irradiation hardening and strain localization is wanting, particularly in commercial alloys used in the construction of nuclear reactors. Therefore, the goal of this project is to systematically map the extent of involvement of strain localization processes in plastic deformation of three reactor alloys that have been neutron irradiated. The deformation processes are to be identified and related to changes in the tensile properties of the alloys as functions of neutron fluence (dose) and degree of plastic strain. The intent is to define the role of strain localization in radiation embrittlement phenomena. The three test materials are a tempered bainitic A533B steel, representing reactor pressure vessel steel, an annealed 316 stainless steel and annealed Zircaloy-4 representing reactor internal components. These three alloys cover the range of crystal structures usually encountered in structural alloys, i.e. body-centered cubic (bcc), face-centered cubic (fcc), and close-packed hexagonal (cph), respectively. The experiments were conducted in three Phases, corresponding to the three years duration of the project. Phases 1 and 2 addressed irradiations and tensile tests made at near-ambient temperatures, and covered a wide range of neutron fluences

Computer simulation of void formation in residual gas atom free metals by dual beam irradiation experiments

International Nuclear Information System (INIS)

Shimomura, Y.; Nishiguchi, R.; La Rubia, T.D. de; Guinan, M.W.

1992-01-01

In our recent experiments (1), we found that voids nucleate at vacancy clusters which trap gas atoms such as hydrogen and helium in ion- and neutron-irradiated copper. A molecular dynamics computer simulation, which implements an empirical embedded atom method to calculate forces that act on atoms in metals, suggests that a void nucleation occurs in pure copper at six and seven vacancy clusters. The structure of six and seven vacancy clusters in copper fluctuates between a stacking fault tetrahedron and a void. When a hydrogen is trapped at voids of six and seven vacancy, a void can keep their structure for appreciably long time; that is, the void do not relax to a stacking fault tetrahedron and grows to a large void. In order to explore the detailed atomics of void formation, it is emphasized that dual-beam irradiation experiments that utilize beams of gas atoms and self-ions should be carried out with residual gas atom free metal specimens. (author)

Crystal structure of actinide metals at high compression

International Nuclear Information System (INIS)

Fast, L.; Soederlind, P.

1995-08-01

The crystal structures of some light actinide metals are studied theoretically as a function of applied pressure. The first principles electronic structure theory is formulated in the framework of density functional theory, with the gradient corrected local density approximation of the exchange-correlation functional. The light actinide metals are shown to be well described as itinerant (metallic) f-electron metals and generally, they display a crystal structure which have, in agreement with previous theoretical suggestions, increasing degree of symmetry and closed-packing upon compression. The theoretical calculations agree well with available experimental data. At very high compression, the theory predicts closed-packed structures such as the fcc or the hcp structures or the nearly closed-packed bcc structure for the light actinide metals. A simple canonical band picture is presented to explain in which particular closed-packed form these metals will crystallize at ultra-high pressure

The lattice dynamics of six prominent B.C.C. transition metals

International Nuclear Information System (INIS)

Brescansin, L.M.; Padial, N.T.; Shukla, M.M.

1975-01-01

The frequency versus wave vector dispersion relations along the three principal symmetry directions, [xi00], [xixi0] and [xixixi], of six prominent body centered cubic transition metals, namely that of molybdenum, α-iron, tungsten, tantalum, niobium and that of chromium, have been computed on the basis of a phenomenological model. The calculated results are in very good agreements to the experimental findings

Atomistic simulations of screw dislocations in bcc tungsten: From core structures and static properties to interaction with vacancies

Energy Technology Data Exchange (ETDEWEB)

Xu, Ke [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Niu, Liang-Liang [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Department of Nuclear Engineering and Radiological Science, University of Michigan, Ann Arbor, MI 48109 (United States); Jin, Shuo, E-mail: jinshuo@buaa.edu.cn [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Shu, Xiaolin [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China); Xie, Hongxian [School of Mechanical Engineering, Hebei University of Technology, Tianjin 300132 (China); Wang, Lifang; Lu, Guang-Hong [School of Physics and Nuclear Energy Engineering, Beihang University, Beijing 100191 (China); Beijing Key Laboratory of Advanced Nuclear Materials and Physics, Beihang University, Beijing 100191 (China)

2017-02-15

Atomistic simulations have been used to investigate the core structures, static properties of isolated 1/2 <1 1 1> screw dislocations, and their interaction with vacancies in bcc tungsten (W) based on three empirical interatomic potentials. Differential displacement maps show that only one embedded atom method potential is able to reproduce the compact non-degenerate core as evidenced by ab initio calculations. The obtained strain energy and stress distribution from atomistic simulations are, in general, consistent with elasticity theory predictions. In particular, one component of the calculated shear stress, which is not present according to elasticity theory, is non-negligible in the core region of our dislocation model. The differences between the results calculated from three interatomic potentials are in details, such as the specific value and the symmetry, but the trend of spatial distributions of static properties in the long range are close to each other. By calculating the binding energies between the dislocations and vacancies, we demonstrate that the dislocations act as vacancy sinks, which may be important for the nucleation and growth of hydrogen bubbles in W under irradiation.

Effect of the size of nanoparticles on their dissolution within metal-glass nanocomposites under sustained irradiation

Energy Technology Data Exchange (ETDEWEB)

Vu, T. H. Y., E-mail: thi-hai-yen.vu@polytechnique.edu; Ramjauny, Y.; Rizza, G.; Hayoun, M. [Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA, Université Paris-Saclay, F-91128 Palaiseau (France)

2016-01-21

We investigate the dissolution law of metallic nanoparticles (NPs) under sustained irradiation. The system is composed of isolated spherical gold NPs (4–100 nm) embedded in an amorphous silica host matrix. Samples are irradiated at room temperature in the nuclear stopping power regime with 4 MeV Au ions for fluences up to 8 × 10{sup 16 }cm{sup −2}. Experimentally, the dependence of the dissolution kinetics on the irradiation fluence is linear for large NPs (45–100 nm) and exponential for small NPs (4–25 nm). A lattice-based kinetic Monte Carlo (KMC) code, which includes atomic diffusion and ballistic displacement events, is used to simulate the dynamical competition between irradiation effects and thermal healing. The KMC simulations allow for a qualitative description of the NP dissolution in two main stages, in good agreement with the experiment. Moreover, the perfect correlation obtained between the evolution of the simulated flux of ejected atoms and the dissolution rate in two stages implies that there exists an effect of the size of NPs on their dissolution and a critical size for the transition between the two stages. The Frost-Russell model providing an analytical solution for the dissolution rate, accounts well for the first dissolution stage but fails in reproducing the data for the second stage. An improved model obtained by including a size-dependent recoil generation rate permits fully describing the dissolution for any NP size. This proves, in particular, that the size effect on the generation rate is the principal reason for the existence of two regimes. Finally, our results also demonstrate that it is justified to use a unidirectional approximation to describe the dissolution of the NP under irradiation, because the solute concentration is particularly low in metal-glass nanocomposites.

The non-pair forces and phonon dispersion in heavy alkali metals

International Nuclear Information System (INIS)

Aradhana, Km.; Rathore, R.P.S.

1990-01-01

Two types of non-pair forces, one from the Born-Mayer and the other from the Morse potential, are derived to discuss the response of electrons in heavy alkali metals, i.e., rubidium and cesium. The potentials are added to the two-body potential of Morse to account also for the ion-ion interactions. The potentials so obtained are employed to predict the phonon dispersion relations in bcc metals, which are also compared with recent precise neutron scattering data. (author). 1 fig, 3 tabs., 24 refs

Stress induced martensitic transformation from bcc to fcc in Ag-Zn

International Nuclear Information System (INIS)

Takezawa, K.; Akamatsu, R.; Marukawa, K.

1995-01-01

The martensitic transformation in Ag-Zn alloys of low-Zn content has been studied by optical and electron microscopic observations and by tensile tests. The β 1 phase of B2 structure transforms to the thermo-elastic martensite having 9R structure similar to Cu-based alloys upon cooling to temperature below Ms. When the β 1 phase is stretched at room temperature, the slip deformation occurs at first and then the stress-induced martensite(SIM) of wedge-like morphology forms. The SIM has the ordered fcc structure containing micro-twins. This direct transformation from bcc to fcc is a unique feature in Ag-Zn alloys. In Cu alloys, martensites of fcc structure appear only after the second transformation from the first transformation product of 9R structure. The critical stress for the martensitic transformation and a degree of order of SIM decrease as the deformation temperature rises. In Ag-Zn alloys, the martensite of disordered fcc is thermally produced also by up-quenching to a higher temperature. In the present study, the relation between martensites of ordered and disordered fcc is discussed through thermodynamical calculations. The condition for the direct transformation from bcc to fcc is also examined. (orig.)

Hydrogen storage in Ti-Mn-(FeV) BCC alloys

International Nuclear Information System (INIS)

Santos, S.F.; Huot, J.

2009-01-01

Recently, the replacement of vanadium by the less expensive (FeV) commercial alloy has been investigated in Ti-Cr-V BCC solid solutions and promising results were reported. In the present work, this approach of using (FeV) alloys is adopted to synthesize alloys of the Ti-Mn-V system. Compared to the V-containing alloys, the alloys containing (FeV) have a smaller hydrogen storage capacity but a larger reversible hydrogen storage capacity, which is caused by the increase of the plateau pressure of desorption. Correlations between the structure and the hydrogen storage properties of the alloys are also discussed.

Determination of uranium metal concentration in irradiated fuel storage basin sludge using selective dissolution

International Nuclear Information System (INIS)

Delegard, C.H.; Sinkov, S.I.; Chenault, J.W.; Schmidt, A.J.; Pool, K.N.; Welsh, T.L.

2014-01-01

Irradiated uranium metal fuel was stored underwater in the K East and K West storage basins at the US Department of Energy Hanford Site. The uranium metal under damaged cladding reacted with water to generate hydrogen gas, uranium oxides, and spalled uranium metal particles which intermingled with other particulates to form sludge. While the fuel has been removed, uranium metal in the sludge remains hazardous. An expeditious routine method to analyze 0.03 wt% uranium metal in the presence of >30 wt% total uranium was needed to support safe sludge management and processing. A selective dissolution method was designed based on the rapid uranium oxide dissolution but very low uranium metal corrosion rates in hot concentrated phosphoric acid. The uranium metal-bearing heel from the phosphoric acid step then is rinsed before the uranium metal is dissolved in hot concentrated nitric acid for analysis. Technical underpinnings of the selective dissolution method, including the influence of sludge components, were investigated to design the steps and define the reagents, quantities, concentrations, temperatures, and times within the selective dissolution analysis. Tests with simulant sludge proved the technique feasible. Tests with genuine sludge showed a 0.0028 ± 0.0037 wt% (at one standard deviation) uranium metal analytical background, a 0.011 wt% detection limit, and a 0.030 wt% quantitation limit in settled (wet) sludge. In tests using genuine K Basin sludge spiked with uranium metal at concentrations above the 0.030 wt% ± 25 % (relative) quantitation limit, uranium metal recoveries averaged 99.5 % with a relative standard deviation of 3.5 %. (author)

Proofs of cluster formation and transitions in liquid metals and alloys

International Nuclear Information System (INIS)

Filippov, E.S.

1985-01-01

Calculational and experimental proofs are presented indicating to existence of clusters in liquid metals and alloys. Systems of liquid alloys both on the base of ferrous metals and non-ferrous metals (Fe-C, Ni-C, Co-C, Fe-Ni, Ni-Mo, Co-Cr, Co-V as well as In-Sn, Bi-Sn, Si-Ge and others) are studied experimentally. It is shown that the general feature of the systems studied is sensitivity of a volume to change in structure, to replacement fcc structure on bcc or to initiation-dissociation of intermetallic compounds AxBy. It is shown that both in pure liquid metals and in their.alloys there are clusters as ordered aggregate of atoms

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

International Nuclear Information System (INIS)

Nakashima, Kenichi; Stoller, Roger E; Xu, Haixuan

2015-01-01

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a 0 to 3.3a 0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a 0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster. (paper)

Co thin film with metastable bcc structure formed on GaAs(111 substrate

Directory of Open Access Journals (Sweden)

Minakawa Shigeyuki

2014-07-01

Full Text Available Co thin films are prepared on GaAs(111 substrates at temperatures ranging from room temperature to 600 ºC by radio-frequency magnetron sputtering. The growth behavior and the detailed resulting film structure are investigated by in-situ reflection high-energy electron diffraction and X-ray diffraction. In early stages of film growth at temperatures lower than 200 ºC, Co crystals with metastable A2 (bcc structure are formed, where the crystal structure is stabilized through hetero-epitaxial growth. With increasing the film thickness beyond 2 nm, the metastable structure starts to transform into more stable A1 (fcc structure through atomic displacements parallel to the A2{110} close-packed planes. The crystallographic orientation relationship between the A2 and the transformed A1 crystals is A1{111} || A2{110}. When the substrate temperature is higher than 400 ºC, Ga atoms of substrate diffuse into the Co films and a Co-Ga alloy with bcc-based ordered structure of B2 is formed.

Vibrational contribution to the thermodynamics of nanosized precipitates: vacancy-copper clusters in bcc-Fe

International Nuclear Information System (INIS)

Talati, Mina; Posselt, Matthias; Al-Motasem, Ahmed; Bergner, Frank; Bonny, Giovanni

2012-01-01

The effects of lattice vibration on the thermodynamics of nanosized coherent clusters in bcc-Fe consisting of vacancies and/or copper are investigated within the harmonic approximation. A combination of on-lattice simulated annealing based on Metropolis Monte Carlo simulations and off-lattice relaxation by molecular dynamics is applied to obtain the most stable cluster configurations at T = 0 K. The most recent interatomic potential built within the framework of the embedded-atom method for the Fe-Cu system is used. The total free energy of pure bcc-Fe and fcc-Cu as well as the total formation free energy and the total binding free energy of the vacancy-copper clusters are determined for finite temperatures. Our results are compared with the available data from previous investigations performed using many-body interatomic potentials and first-principles methods. For further applications in rate theory and object kinetic Monte Carlo simulations, the vibrational effects evaluated in the present study are included in the previously developed analytical fitting formulae. (paper)

Effect of post-weld heat treatment and neutron irradiation on a dissimilar-metal joint between F82H steel and 316L stainless steel

Energy Technology Data Exchange (ETDEWEB)

Fu, Haiying, E-mail: haigirl1983@gmail.com [SOKENDAI - The Graduated University for Advanced Studies, Toki (Japan); Nagasaka, Takuya [SOKENDAI - The Graduated University for Advanced Studies, Toki (Japan); National Institute for Fusion Science, Toki (Japan); Kometani, Nobuyuki [Nagoya University, Nagoya (Japan); Muroga, Takeo [SOKENDAI - The Graduated University for Advanced Studies, Toki (Japan); National Institute for Fusion Science, Toki (Japan); Guan, Wenhai; Nogami, Shuhei; Yabuuchi, Kiyohiro; Iwata, Takuya; Hasegawa, Akira [Tohoku University, Sendai (Japan); Yamazaki, Masanori [International Research Center for Nuclear Materials Science, Institute for Materials Research, Tohoku University (Japan); Kano, Sho; Satoh, Yuhki; Abe, Hiroaki [Institute for Materials Research, Tohoku University, Sendai (Japan); Tanigawa, Hiroyasu [Japan Atomic Energy Agency, Rokkasho (Japan)

2015-10-15

Highlights: • Significant hardening after neutron irradiation at 300 °C for 0.1 dpa was found in the fine-grain HAZ of F82H for the dissimilar-metal joint between F82H and 316L. • The possible hardening mechanism was explained from the viewpoint of carbon behavior. • However, the significant hardening did not degrade the impact property significantly. - Abstract: A dissimilar-metal joint between F82H steel and 316L stainless steel was fabricated by using electron beam welding (EBW). By microstructural analysis and hardness test, the heat-affected zone (HAZ) of F82H was classified into interlayer area, fine-grain area, and coarse-carbide area. Post-weld heat treatment (PWHT) was applied to control the hardness of HAZ. After PWHT at 680 °C for 1 h, neutron irradiation at 300 °C with a dose of 0.1 dpa was carried out for the joint in Belgian Reactor II (BR-II). Compared to the base metals (BMs) and weld metal (WM), significant irradiation hardening up to 450HV was found in the fine-grain HAZ of F82H. However, the impact property of F82H-HAZ specimens, which was machined with the root of the V-notch at HAZ of F82H, was not deteriorated obviously in spite of the significant irradiation hardening.

Facile conversion of bulk metal surface to metal oxide single-crystalline nanostructures by microwave irradiation: Formation of pure or Cr-doped hematite nanostructure arrays

International Nuclear Information System (INIS)

Cho, Seungho; Jeong, Haeyoon; Lee, Kun-Hong

2010-01-01

We report a method for converting the surfaces of bulk metal substrates (pure iron or stainless steel) to metal oxide (hematite or Cr-doped hematite) nanostructures using microwave irradiation. When microwave radiation (2.45 GHz, single-mode) was applied to a metal substrate under the flow of a gas mixture containing O 2 and Ar, metal oxide nanostructures formed and entirely covered the substrate. The nanostructures were single crystalline, and the atomic ratios of the substrate metals were preserved in the nanostructures. When a pure iron sheet was used as a substrate, hematite nanowires (1000 W microwave radiation) or nanosheets (1800 W microwave radiation) formed on the surface of the substrate. When a SUS410 sheet was used as a substrate, slightly curved rod-like nanostructures were synthesized. The oxidation states of Fe and Cr in these nanorods were Fe 3+ and Cr 3+ . Quantitative analyses revealed an average Fe/Cr atomic ratio of 9.2, nearly identical to the ratio of the metals in the SUS410 substrate.

A new parameterization for ice cloud optical properties used in BCC-RAD and its radiative impact

International Nuclear Information System (INIS)

Zhang, Hua; Chen, Qi; Xie, Bing

2015-01-01

A new parameterization of the solar and infrared optical properties of ice clouds that considers the multiple habits of ice particles was developed on the basis of a prescribed dataset. First, the fitting formulae of the bulk extinction coefficient, single-scatter albedo, asymmetry factor, and δ-function forward-peak factor at the given 65 wavelengths as a function of effective radius were created for common scenarios, which consider a greater number of wavelengths and are more accurate than those used previously. Then, the band-averaged volume extinction and absorption coefficients, asymmetry factor and forward-peak factor of ice cloud were derived for the BCC-RAD (Beijing Climate Center radiative transfer model) using a parameter reference table. Finally, the newly developed and the original schemes in the BCC-RAD and the commonly used Fu Scheme of ice cloud were all applied to the BCC-RAD. Their influences on radiation calculations were compared using the mid-latitude summer atmospheric profile with ice clouds under no-aerosol conditions, and produced a maximum difference of approximately 30.0 W/m 2 for the radiative flux, and 4.0 K/d for the heating rate. Additionally, a sensitivity test was performed to investigate the impact of the ice crystal density on radiation calculations using the three schemes. The results showed that the maximum difference was 68.1 W/m 2 for the shortwave downward radiative flux (for the case of perpendicular solar insolation), and 4.2 K/d for the longwave heating rate, indicating that the ice crystal density exerts a significant effect on radiation calculations for a cloudy atmosphere. - Highlights: • A new parameterization of the radiative properties of ice cloud was obtained. • More accurate fitting formulae of them were created for common scenarios. • The band-averaged of them were derived for our radiation model of BCC-RAD. • We found that there exist large differences of results among different ice schemes. • We found

He–He and He–metal interactions in transition metals from first-principles

Energy Technology Data Exchange (ETDEWEB)

Zhang, Pengbo, E-mail: zhangpb@dlmu.edu.cn [Department of Physics, Dalian Maritime University, Dalian 116026 (China); Zou, Tingting [Information Science and Technology College, Dalian Maritime University, Dalian 116026 (China); Zhao, Jijun, E-mail: zhaojj@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China)

2015-12-15

We investigated the atomistic mechanism of He–He and He–metal interactions in bcc transition metals (V, Nb, Ta, Cr, Mo, W, and Fe) using first-principles methods. We calculated formation energy and binding energy of He–He pair as function of distance within the host lattices. The strengths of He–He attraction in Cr, Mo, W, and Fe (0.37–1.11 eV) are significantly stronger than those in V, Nb, and Ta (0.06–0.17 eV). Such strong attractions mean that He atoms would spontaneously aggregate inside perfect Cr, Mo, W, and Fe host lattices in absence of defects like vacancies. The most stable configuration of He–He pair is <100> dumbbell in groups VB metals, whereas it adopts close <110> configuration in Cr, Mo, and Fe, and close <111> configuration in W. Overall speaking, the He–He equilibrium distances of 1.51–1.55 Å in the group VIB metals are shorter than 1.65–1.70 Å in the group VB metals. Moreover, the presence of interstitial He significantly facilitates vacancy formation and this effect is more pronounced in the group VIB metals. The present calculations help understand the He-metal/He–He interaction mechanism and make a prediction that He is easier to form He cluster and bubbles in the groups VIB metals and Fe.

Dynamics of the HCP/BCC phase transition and of the diffusion in zirconium: a model based on a tight-binding potential

International Nuclear Information System (INIS)

Willaime, F.

1991-09-01

We have developed an N-body interatomic potential, based on the second moment approximation of the tight-binding scheme, by fitting its four adjustable parameters to the cohesive energy, atomic volume, and elastic constants of hcp-Zr. We then showed that various properties of this potential compare favorably with those of zirconium in both the low temperatures hcp phase and the high temperature bcc phase. Such is the case in particular for the elastic constants, the phonon dispersion curves, the thermal expansion, and the melting temperature. We reproduced by molecular dynamics (MD) simulations on this potential the hcp/bcc phase transformation in both ways. It indeed occurs following the mechanism predicted by Burgers. We find a vibrational entropy of transformation equal to 0.13 k B . Our calculations suggest that in real zirconium the electronic contribution to the transformation entropy is important. We show that some interatomic potential lead to a higher value of the vibrational entropy in the hcp phase than in the bcc phase. We specified the dynamics of the vacancy migration in the bcc phase. The atomic jumps are almost exclusively nearest neighbour ones. The walk of the vacancy becomes strongly correlated at high temperatures. The vacancy jump frequency is very large and has a perfectly arrhenian behaviour. There is no evicence of a dynamical lowering of the vacancy migration barrier: the static and dynamic values of the vacancy migration energy are almost equal, both being unusually small (0.3 eV). The self diffusion coefficent of our model for the vacancy mechanism reproduces an anomalous fast diffusion close to that measured experimentally in bcc-Zr. In our model at high temperatures the time interval between successive jumps is almost equal to the time of flight. The migration events will therefore influence the formation of the vacancies [fr

Investigation of the structural and hydrogenation properties of disordered Ti-V-Cr-Mo BCC solid solutions

International Nuclear Information System (INIS)

Raufast, C.; Planté, D.; Miraglia, S.

2014-01-01

Highlights: • Materials synthesis and structural analysis of selected compositions of TiVCr(Mo) bcc samples. • Extraction of the thermodynamics relevant parameters for hydride formation and dissociation state of Ti 0.3 V 1.7 Cr 0.7 Mo 0.3 sample. • Discussion of the hydrides practicability. - Abstract: Selected compositions in the Ti-Cr-V-Mo system (with the BCC structure-type) have been synthesized and characterized for structural (crystalline structure, solidification microstructure) and thermodynamic properties (equilibrium and reversible hydrogen storage capacity). We present as well the effect of co-melting with a so-called activating phase that results in a secondary phase development and a subsequent enhancement of the hydrogen sorption kinetics. Ageing properties and applicability of such materials for hybrid hydrogen storage systems are also discussed

A systematic study on the interfacial energy of O-line interfaces in fcc/bcc systems

International Nuclear Information System (INIS)

Dai, Fuzhi; Zhang, Wenzheng

2013-01-01

Habit planes between face-centered cubic (fcc)/body-centered cubic (bcc) phases usually exhibit irrational orientations, which often agree with the O-line criterion. Previously, energy calculation was made to test whether the habit planes were energetically favorable, but the values of the energy were found very sensitive to the initial atomic configuration in an irrationally orientated interface. In this paper, under the O-line condition, simple selection criteria are proposed to define and remove interfacial interstitials and vacancies in the initial atomic configuration. The criteria are proved to be effective in obtaining robust energy results. Interfacial energies of two types of O-line interfaces in fcc/bcc systems are calculated following the criteria. The observed transformation crystallography of precipitates in Ni–Cr and Cu–Cr systems can be explained consistently as the irrational habit plane in each system is associated with the lowest energy O-line interface. (paper)

Multiple fracture planes in deuteron irradiated metals

International Nuclear Information System (INIS)

Jones, W.R.; Johnson, P.B.

1987-01-01

Evidence has been found of multiple fracture planes in the blistering and flaking of metals observed at room temperature following irradiation at 120 K with 200 keV deuterons. In particular, two fracture planes are identified in copper, gold and stainless steel and three in aluminium. In nickel only one fracture plane is found. Qualitative models are proposed which explain the different fracture planes that are observed. In these models it is proposed that several mechanisms are important. (i) High levels of compressional stress in the implanted layer inhibits bubble nucleation and bubble growth in the depth region near the maxima in the damage and gas deposition profiles. (ii) The lateral stress varies from compression in the implant region to tension in the material below. In the region of tension bubble growth is enhanced. The vertical gradient in the lateral stress may also assist gas to move deeper into the target to further enhance bubble growth in this region. (iii) Shear resulting from differential expansion due to a combination of radiation induced swelling and localised heating is an important mechanism leading to fracture. (orig.)

Impact of Intragranular Substructure Parameters on the Forming Limit Diagrams of Single-Phase B.C.C. Steels

Directory of Open Access Journals (Sweden)

Gérald Franz

2013-11-01

Full Text Available An advanced elastic-plastic self-consistent polycrystalline model, accounting for intragranular microstructure development and evolution, is coupled with a bifurcation-based localization criterion and applied to the numerical investigation of the impact of microstructural patterns on ductility of single-phase steels. The proposed multiscale model, taking into account essential microstructural aspects, such as initial and induced textures, dislocation densities, and softening mechanisms, allows us to emphasize the relationship between intragranular microstructure of B.C.C. steels and their ductility. A qualitative study in terms of forming limit diagrams for various dislocation networks, during monotonic loading tests, is conducted in order to analyze the impact of intragranular substructure parameters on the formability of single-phase B.C.C. steels.

{sup 55}Co separation from proton irradiated metallic nickel

Energy Technology Data Exchange (ETDEWEB)

Valdovinos, H. F., E-mail: hvaldovinos@wisc.edu; Graves, S., E-mail: hvaldovinos@wisc.edu; Barnhart, T., E-mail: hvaldovinos@wisc.edu; Nickles, R. J., E-mail: hvaldovinos@wisc.edu [Department of Medical Physics, University of Wisconsin - Madison, Madison, WI (United States)

2014-11-07

{sup 55}Co with > 97% radionuclidic purity 24 hours after end of bombardment (EoB) was produced from the {sup 58}Ni(p,α) reaction using proton irradiations of 16 MeV on natural nickel. Two-hour irradiations with 25 μA on a 254 μm thick nickel foil generate 0.18 ± 0.01 GBq (n = 3) 24 hours after EoB. The separation of cobalt from the target material and other metallic contaminants present at trace levels is accomplished in HCl medium by two rounds of anion exchange chromatography (AG1-X8) using an automated module driven by a peristaltic pump. 80 ± 5 % (n = 3) of the activity generated at EoB is ready for labeling in 0.1 M HCl one hour after the start of separation. Using 99.999% pure Ni, the reactivity (decay corrected to EoB) with the bifunctional chelator (BFC) DOTA was 8.5 GBq/μmol; enough for radiolabeling BFC conjugated biomolecules at a nmol scale with > 90% yield. Using 99.9% pure Ni the reactivity with DOTA and NOTA was 0.19 +/− 0.09 GBq/μmol and 2.9 +/− 1.7 GBq/μmol (n = 2), respectively. Both cobalt complexes showed 100% in vitro stability in PBS and mouse serum over 41 hours at room temperature. MicroPET images of a miniature Derenzo phantom show excellent resolution where rods of 1.5 mm were separated by two times their diameter.

Limitations of BCC_CSM's ability to predict summer precipitation over East Asia and the Northwestern Pacific

KAUST Repository

Gong, Zhiqiang; Dogar, Muhammad Mubashar; Qiao, Shaobo; Hu, Po; Feng, Guolin

2017-01-01

This study examines the ability of the Beijing Climate Center Climate System Model (BCC_CSM) to predict the meridional pattern of summer precipitation over East Asia-Northwest Pacific (EA-NWP) and its East Asia-Pacific (EAP) teleconnection

Photodegradation of malachite green dye catalyzed by Keggin-type polyoxometalates under visible-light irradiation: Transition metal substituted effects

Science.gov (United States)

Liu, Chun-Guang; Zheng, Ting; Liu, Shuang; Zhang, Han-Yu

2016-04-01

In the present paper, Keggin-type polyoxometalates (POMs) (NH4)3[PW12O40] and its mono-transition-metal-substituted species (NH4)5[{PW11O39}MII(H2O)] (M = Mn, Fe, Co, Ni, Cu, Zn) have been synthesized and used as photocatalyst to activate O2 for the degradation of dye molecule under visible-light irradiation. Because of the strong adsorption on the surface of POM catalyst, malachite green (MG) molecule was employed as a molecular probe to test their photocatalytic activity. The photodegradation study shows that introduction of transition metal ion leads to an increase in the degradation of MG in the following order: Mn < Fe < Co < [PW12O40]3- < Ni < Cu < Zn, which indicates that the photocatalytic activity of these POMs is sensitive to the transition metal substituted effects. Electronic structure analysis based on the density functional theory calculations shows that a moderate decrease of oxidizing ability of POM catalyst may improve the photocatalytic activity in the degradation of dye molecule under visible-light irradiation. Meanwhile, intermediate products about the photocatalytic oxidation of MG molecule were proposed on the basis of gas chromatograph mass spectrometer analysis.

Primary Damage Characteristics in Metals Under Irradiation in the Cores of Thermal and Fast Reactors

International Nuclear Information System (INIS)

Pechenkin, V.A.

2012-01-01

For an analysis and forecasting of radiation-induced phenomena in structural materials of WWERs, PWRs and BN reactors the fast neutron fluence is usually used (for structural materials of the reactor cores and internals the fluence of neutrons with energy > 0.1 MeV, for WWER and PWRs vessel steels the fluence of neutrons with energy > 0.5 MeV in Russia and East Europe, and with energy > 1.0 MeV in USA and France). Displacements per atom (dpa) seem to be a more appropriate correlation parameter, because it allows comparing the results of materials irradiation in different neutron energy spectra or with different types of particles (neutrons, ions, fast electrons). Energy spectra of primary knocked atoms (PKA) and 'effective' dpa, which are introduced to take into account the point defect recombination during the relaxation stage of a displacement cascade, can be still better representation of the effect of irradiation on material properties. In this work the results of calculating dose rates (dpa/s, NRT-model), PKA energy spectra and PKA mean energies in metals under irradiation in the cores of Russian reactors WWER-440, WWER-1000 (both power thermal reactors) and BN-600 (power fast reactor) and BR-10 (test fast reactor) are presented. In all the reactors Fe and Zr are considered, with addition of Ti and W in BN-600. 'Effective' dose rates in these metals are calculated. Limitations and uncertainties in the standard dpa formulation (the NRT-dpa) are discussed. IPPE activities in the fields related to the TM subject are considered

Anomalous diffusion in body-centred and face-centred cubic metals

International Nuclear Information System (INIS)

Zanghi, J.-P.

1975-10-01

The initial rates of contraction due to self-irradiation damage at 4.2K in three PuSc alloys (5, 12, 18 at % Sc) stabilized in f.c.c. delta-phase were measured. The high negative value of the formation volume of a Frenkel pair which is deduced by extrapolating for pure Pu, can only be explained by assuming that the interstitial Pu may partly recover its distortion energy by creating bonds with its neighbours, by a localized enhancement of the d.f. hybridization and especially by provoking the formation of bonds between its very neighbours. It is shown that about twenty atoms around the interstitial Pu are affected by these bonds. The self-irradiation at 4.2K of a b.c.c. UPuMo alloy was also studied. The activation volume for self-diffusion of Pu in b.c.c. PuZr alloys (10 and 40 at % Zr) was determined. So the validity of Nachtrieb's melting-diffusion correlation could be checked. Indeed, in the Pu 40 at % Zr alloy, which has a pressure temperature diagram the liquidus of which has a positive slope, a positive activation volume was found, whereas in pure epsilon Pu which as a negative slope, the activation volume is negative. A self-diffusion mechanism in PuZr alloys is proposed. A study of the diffusion of Am in these alloys showed that Am and Pu likely diffuse by the same mechanism [fr

Point defect stability in a semicoherent metallic interface

Science.gov (United States)

González, C.; Iglesias, R.; Demkowicz, M. J.

2015-02-01

We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

Gas Generation from K East Basin Sludges and Irradiated Metallic Uranium Fuel Particles Series III Testing

International Nuclear Information System (INIS)

Schmidt, Andrew J.; Delegard, Calvin H.; Bryan, Samuel A.; Elmore, Monte R.; Sell, Rachel L.; Silvers, Kurt L.; Gano, Susan R.; Thornton, Brenda M.

2003-01-01

The path forward for managing of Hanford K Basin sludge calls for it to be packaged, shipped, and stored at T Plant until final processing at a future date. An important consideration for the design and cost of retrieval, transportation, and storage systems is the potential for heat and gas generation through oxidation reactions between uranium metal and water. This report, the third in a series (Series III), describes work performed at the Pacific Northwest National Laboratory (PNNL) to assess corrosion and gas generation from irradiated metallic uranium particles (fuel particles) with and without K Basin sludge addition. The testing described in this report consisted of 12 tests. In 10 of the tests, 4.3 to 26.4 g of fuel particles of selected size distribution were placed into 60- or 800-ml reaction vessels with 0 to 100 g settled sludge. In another test, a single 3.72-g fuel fragment (i.e., 7150-mm particle) was placed in a 60 ml reaction vessel with no added sludge. The twelfth test contained only sludge. The fuel particles were prepared by crushing archived coupons (samples) from an irradiated metallic uranium fuel element. After loading the sludge materials (whether fuel particles, mixtures of fuel particles and sludge, or sludge-only) into reaction vessels, the solids were covered with an excess of K Basin water, the vessels closed and connected to a gas measurement manifold, and the vessels back-flushed with inert neon cover gas. The vessels were then heated to a constant temperature. The gas pressures and temperatures were monitored continuously from the times the vessels were purged. Gas samples were collected at various times during the tests, and the samples analyzed by mass spectrometry. Data on the reaction rates of uranium metal fuel particles with water as a function of temperature and particle size were generated. The data were compared with published studies on metallic uranium corrosion kinetics. The effects of an intimate overlying sludge layer

Atomic scale modeling of defect production and microstructure evolution in irradiated metals

Energy Technology Data Exchange (ETDEWEB)

Diaz de la Rubia, T.; Soneda, N.; Shimomura, Y. [Lawrence Livermore National Lab., CA (United States)] [and others

1997-04-01

Irradiation effects in materials depend in a complex way on the form of the as-produced primary damage state and its spatial and temporal evolution. Thus, while collision cascades produce defects on a time scale of tens of picosecond, diffusion occurs over much longer time scales, of the order of seconds, and microstructure evolution over even longer time scales. In this report the authors present work aimed at describing damage production and evolution in metals across all the relevant time and length scales. They discuss results of molecular dynamics simulations of displacement cascades in Fe and V. They show that interstitial clusters are produced in cascades above 5 keV, but not vacancy clusters. Next, they discuss the development of a kinetic Monte Carlo model that enables calculations of damage evolution over much longer time scales (1000`s of s) than the picosecond lifetime of the cascade. They demonstrate the applicability of the method by presenting predictions on the fraction of freely migrating defects in {alpha}Fe during irradiation at 600 K.

Atomic scale modeling of defect production and microstructure evolution in irradiated metals

International Nuclear Information System (INIS)

Diaz de la Rubia, T.; Soneda, N.; Shimomura, Y.

1997-01-01

Irradiation effects in materials depend in a complex way on the form of the as-produced primary damage state and its spatial and temporal evolution. Thus, while collision cascades produce defects on a time scale of tens of picosecond, diffusion occurs over much longer time scales, of the order of seconds, and microstructure evolution over even longer time scales. In this report the authors present work aimed at describing damage production and evolution in metals across all the relevant time and length scales. They discuss results of molecular dynamics simulations of displacement cascades in Fe and V. They show that interstitial clusters are produced in cascades above 5 keV, but not vacancy clusters. Next, they discuss the development of a kinetic Monte Carlo model that enables calculations of damage evolution over much longer time scales (1000's of s) than the picosecond lifetime of the cascade. They demonstrate the applicability of the method by presenting predictions on the fraction of freely migrating defects in αFe during irradiation at 600 K

Preparation of the Nanostructured Radioisotope Metallic Oxide by Neutron Irradiation for Use as Radiotracers

Directory of Open Access Journals (Sweden)

Sang-Ei Seo

2017-10-01

Full Text Available Metallic oxides manganese dioxide (MnO2, samarium oxide (Sm2O3, and dysprosium oxide (Dy2O3 with nanorod-like structures were synthesized by the hydrothermal synthesis method, respectively. Subsequently, the nanostructured radioisotopes MnO2 with Mn-56, Sm2O3 with Sm-153, and Dy2O3 with Dy-165 were prepared by neutron irradiation from the HANARO research reactor, respectively. The three different elements, Mn, Sm, and Dy, were selected as radiotracers because these elements can be easily gamma-activated from neutrons (activation limits: 1 picogram (Dy, 1–10 picogram (Mn, 10–100 picogram (Sm. Furthermore, the synthesized radioisotopes can be used as radiotracers in Prompt Gamma Neutron Activation Analysis as the rare earth metals Dy and Sm were not present in the Korean environment. The successful synthesis of the radioisotope metallic oxides was confirmed by Transmission Electron Microscopy (TEM, Energy Dispersive X-ray Spectrometry (EDS, X-ray Diffraction (XRD analysis, and gamma spectroscopy analysis. The synthesized nanostructured radioisotope metallic oxides may be used as radiotracers in scientific, environmental, engineering, and industrial fields.

Evaluation of heavy metal content in irradiated sludge, chicken manure and fertilized soil in Indonesia

International Nuclear Information System (INIS)

Hilmy, N.; Suwirma, S.; Surtipanti, S.; Harsojo

1997-01-01

The contents of heavy metals, Hg, Cd, Cr, Cu, Ni, Pb, Zn and Co, were determined in two irradiated sludges, chicken manure and fertilized soil. Sludge I was collected from a treatment plant in Jakarta city, Sludge II from a sludge reservoir in a Jakarta suburb, chicken manure was obtained from a farm south of Jakarta, and the soil had been treated with phosphate fertilizer since 1967. The sludges and chicken manure were collected during the rainy and dry seasons, and the heavy-metal contents were determined by atomic-absorption spectrometry and neutron-activation analysis. The results obtained are compared with data from Canada, and are discussed in terms of permissible limits in the environment. (author)

Synthesis of phthalide-fused indoline by microwave irradiation and preliminary binding study with metal cations

Science.gov (United States)

Ling, Sheryn Wong Shue; Latip, Jalifah; Hassan, Nurul Izzaty; Hasbullah, Siti Aishah

2018-04-01

An efficient and green method of synthesizing phthalide-fused indoline, 3-[(1,3,3-trimethylindolin-2-ylidene)methyl]isobenzofuran-1(3H)-one (3) has been developed by the coupling reaction of 1,3,3-trimethyl-2-methyleneindoline, 1 and phthalaldehydic acid, 2 under solvent-free domestic microwave irradiation. The compound was produced with an excellent yield (98 %) and at a shorter reaction time (5 min) as compared to the conventional method. Compound 3 was fully characterized by analytical and spectral methods. Preliminary binding study of 3 towards different types of metal cations was done by "naked eye" colorimetric detection and UV-vis spectrophotometer. Compound 3 exhibits good selectivity and sensitivity for Sn2+ compared to other metal cations.

About oxide dispersion particles chemical compatibility with areas coherent dissipation/sub-grains of bcc-alloys in Fe - (Cr, V, Mo, W systems

Directory of Open Access Journals (Sweden)

Udovsky A.

2016-01-01

Full Text Available A concept of partial magnetic moments (PMM of the iron atoms located in the first ч four coordination spheres (1÷4 CS for bcc lattice have been introduced based on analysis of results obtained by quantum-mechanical calculations (QMC for volume dependence of the average magnetic moment ferromagnetic (FM Fe. The values of these moments have been calculated for pure bcc Fe and bcc - Fe-Cr alloys. This concept has been used to formulate a three sub-lattice model for binary FM alloys of the Fe-M systems (M is an alloying paramagnetic element. Physical reason for sign change dependence of the short-range order and mixing enthalpy obtained by QMCs for Fe-(Cr, V bcc phases has been found. Using this model it has been predicted that static displacements of Fe - atoms in alloy matrix increase with increasing the of CS number and result in reducing of the area of coherent dissipation (ACD size with growth of the dimension factor (DF in the Fe-(Cr, V, Mo, W systems in agreement with the X-ray experiments. It has been shown theoretically that anisotropy of spin- density in bcc lattice Fe and DF in binary Fe - (Cr, V, Mo, W systems is main factor for origins of segregations on small angle boundaries of ACD and sub-grains boundaries To prevent the coagulation of both ACD and sub-grains, and to increase the strength of alloys, it is advisable to add oxide dispersion particles into ferrite steel taking into account their chemical compatibility and coherent interfacing with the crystalline lattice of a ferrite matrix. Application of phase diagrams for binary and ternary the Fe-(Y, Zr-O systems to verify chemical compatibility of oxide dispersion particles with ferrite matrix have been discussed

bcc-to-hcp transformation pathways for iron versus hydrostatic pressure: Coupled shuffle and shear modes

Science.gov (United States)

Liu, J. B.; Johnson, D. D.

2009-04-01

Using density-functional theory, we calculate the potential-energy surface (PES), minimum-energy pathway (MEP), and transition state (TS) versus hydrostatic pressure σhyd for the reconstructive transformation in Fe from body-centered cubic (bcc) to hexagonal closed-packed (hcp). At fixed σhyd , the PES is described by coupled shear (γ) and shuffle (η) modes and is determined from structurally minimized hcp-bcc energy differences at a set of (η,γ) . We fit the PES using symmetry-adapted polynomials, permitting the MEP to be found analytically. The MEP is continuous and fully explains the transformation and its associated magnetization and volume discontinuity at TS. We show that σhyd (while not able to induce shear) dramatically alters the MEP to drive reconstruction by a shuffle-only mode at ≤30GPa , as observed. Finally, we relate our polynomial-based results to Landau and nudge-elastic-band approaches and show they yield incorrect MEP in general.

X-ray studies of irradiation induced dislocation loops in metals

International Nuclear Information System (INIS)

Larson, B.C.

1975-01-01

Theoretical and experimental progress has resulted in the increased use of x-rays for the study of defects and defect clusters in crystals. An outline of the theoretical framework associated with Huang, Stokes-Wilson and integral diffuse scattering from dislocation loops is presented, and an account of recent experiments on radiation induced loops is given. These studies include low temperature, ambient temperature, and elevated temperature irradiations of metals with electrons, neutrons, and accelerated ions, and pertain to the study of the thermal annealing characteristics as well as the as-produced damage structure. The information obtained by x-rays as to the type, size and concentrations of dislocation loops is contrasted with existing electron microscopy, electrical resistivity, and lattice parameter data in order to establish correlations and identify areas of disagreement

Impurity Trapping of Positive Muons in Metals

CERN Multimedia

2002-01-01

Polarized positive muons are implanted into metal samples. In an applied magnetic field the muon spin precession is studied. The line width in the precession frequency spectrum gives information about the static and dynamic properties of muons in a metal lattice. At temperatures where the muon is immobile within its lifetime the line width gives information about the site of location. At temperatures where the muon is mobile, the line width gives information on the diffusion process. It is known from experiments on quasi-elastic neutron scattering on hydrogen in niobium that interstitial impurities like nitrogen tend to act as traps for hydrogen. These trapping effects have now been studied systematically for muons in both f.c.c. metals (aluminium and copper) and b.c.c. metals (mainly niobium). Direct information on the trapping rates and the nature of the diffusion processes can be obtained since the muonic lifetime covers a time range where many of these processes occur.\\\\ \\\\ Mathematical models are set up ...

Quantum-mechanical approach to the state of hydrogen in b. c. c. metals

Energy Technology Data Exchange (ETDEWEB)

Fukai, Y; Sugimoto, H

1980-01-01

A first step towards consistent understanding of various properties of interstitial hydrogen in b.c.c. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include the nature of self-trapped states, the relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

Quantum-mechanical approach to the state of hydrogen in B. C. C. metals

Energy Technology Data Exchange (ETDEWEB)

Fukai, Y; Sugimoto, H [Chuo Univ., Tokyo (Japan). Dept. of Physics

1980-01-01

A first step towards consistent understanding of various properties of interstitial hydrogen in B.C.C. metals has been made by solving a Schroedinger equation for hydrogen atoms in the field of interaction with surrounding metal atoms. Properties investigated include a nature of self-trapped states, a relative stability of self-trapped configurations, the average stress field (P-tensor), the excitation energy to be determined by neutron spectroscopy, etc. Calculations were performed on hydrogen isotopes (H, D, T) in group-V metals (V, Nb, Ta), and good agreement was obtained with many different kinds of observations. Some predictions and tentative explanations are also presented.

Curie temperatures of fcc and bcc Nickel and Permalloy: Supercell and Green's function methods

Czech Academy of Sciences Publication Activity Database

Yu, P.; Jin, X.F.; Kudrnovský, Josef; Wang, D. S.; Bruno, P.

2008-01-01

Roč. 77, č. 5 (2008), 054431/1-054431/8 ISSN 1098-0121 R&D Projects: GA MŠk OC 150; GA AV ČR IAA100100616 Institutional research plan: CEZ:AV0Z10100520 Keywords : fcc - and bcc-Ni * Permalloy * magnetic moments * Curie temperatures Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

Ion-beam-mixing in metal-metal systems and metal-silicon systems

International Nuclear Information System (INIS)

Hung, L.

1984-01-01

The influence of energetic ion bombardment on the composition and structure of thin film materials and utilization of ion-beam-mixing techniques to modify interfacial reactions are reported in this thesis. The phase formation in metals by using ion mixing techniques has been studied. Upon ion irradiation of Al/Pt, Al/Pd and Al/Ni thin films, only the simplest intermetallic compounds of PdAl and NiAl were formed in crystalline structure, while the amorphous phase has been observed over a large range of composition. Ion mixing of Au/Cu bilayers resulted in the formation of substitutional solid solutions with no trace of ordered compounds. The formation of the ordered compound CuAu was achieved either by irradiation of bilayers with Ar ions at elevated substrate temperature or by irradiation of the mixed layers with He ions at relatively low temperature. In the Au/Al system several crystal compounds existed in the as-deposited samples. These phases remained crystalline or transformed into other equilibrium compounds upon ion irradiation. The results suggest that the phase formation by ion mixing is dependent on the high quench rate in the collision cascade region and the atomic mobility at the irradiation temperature. The argument can be applied to silicide forming systems. With near-noble metals, the mixed atoms are mobile and form metallurgically distinct phases. With refractory metals, amorphous phases are formed due to lack of atomic mobility

BDA: A novel method for identifying defects in body-centered cubic crystals.

Science.gov (United States)

Möller, Johannes J; Bitzek, Erik

2016-01-01

The accurate and fast identification of crystallographic defects plays a key role for the analysis of atomistic simulation output data. For face-centered cubic (fcc) metals, most existing structure analysis tools allow for the direct distinction of common defects, such as stacking faults or certain low-index surfaces. For body-centered cubic (bcc) metals, on the other hand, a robust way to identify such defects is currently not easily available. We therefore introduce a new method for analyzing atomistic configurations of bcc metals, the BCC Defect Analysis (BDA). It uses existing structure analysis algorithms and combines their results to uniquely distinguish between typical defects in bcc metals. In essence, the BDA method offers the following features:•Identification of typical defect structures in bcc metals.•Reduction of erroneously identified defects by iterative comparison to the defects in the atom's neighborhood.•Availability as ready-to-use Python script for the widespread visualization tool OVITO [http://ovito.org].

An AES Study of the Room Temperature Surface Conditioning of Technological Metal Surfaces by Electron Irradiation

CERN Document Server

Scheuerlein, C; Taborelli, M; Brown, A; Baker, M A

2002-01-01

The modifications to technological copper and niobium surfaces induced by 2.5 keV electron irradiation have been investigated in the context of the conditioning process occurring in particle accelerator ultra high vacuum systems. Changes in the elemental surface composition have been found using Scanning Auger Microscopy (SAM) by monitoring the carbon, oxygen and metal Auger peak intensities as a function of electron irradiation in the dose range 10-6 to 10-2 C mm-2. The surface analysis results are compared with electron dose dependent secondary electron and electron stimulated desorption yield measurements. Initially the electron irradiation causes a surface cleaning through electron stimulated desorption, in particular of hydrogen. During this period both the electron stimulated desorption and secondary electron yield decrease as a function of electron dose. When the electron dose exceeds 10-4 C mm-2 electron stimulated desorption yields are reduced by several orders of magnitude and the electron beam indu...

The behavior of hydrogen in metals

International Nuclear Information System (INIS)

Hirabayashi, Makoto

1975-01-01

Explanation is made on the equilibrium diagrams of metal-hydrogen systems and the state of hydrogen in metals. Some metals perform exothermic reaction with hydrogen, and the others endothermic reaction. The former form stable hydrides and solid solutions over a wide range of composition. Hydrogen atoms in fcc and bcc metals are present at the interstitial positions of tetrahedron lattice and octahedron lattice. For example, hydrogen atoms in palladium are present at the intersititial positions of octahedron. When the ratio of the composition of hydrogen and palladium is 1:1, the structure becomes NaCl type. Hydrogen atoms in niobium and vanadium and present interstitially in tetrahedron lattice. Metal hydrides with high hydrogen concentration are becoming important recently as the containers of hydrogen. Hydrogen atoms diffuse in metals quite easily. The activation energy of the diffusion of hydrogen atoms in Nb and V is about 2-3 kcal/g.atom. The diffusion coefficient is about 10 -5 cm 2 /sec in alpha phase at room temperature. The number of jumps of a hydrogen atom between neighboring lattice sites is 10 11 --10 12 times per second. This datum is almost the same as that of liquid metals. Discussion is also made on the electronic state of hydrogen in metals. (Fukutomi, T.)

Atomic structure of radiation damages in FCC-metals after neutron irradiation

International Nuclear Information System (INIS)

Popova, E.V.; Ivchenko, V.A.; Kozlov, A.V.

2005-01-01

Full text: Radiation clusters, formed at a neutron irradiation, are a product of evolution of cascade areas. The quantitative information about clusters can be used for verification of calculations of cascade damage ability, in particular, cascade efficiency. Data about concentration clusters and an average of the vacancies containing in them, allow to receive total of the vacancies reserved in them and to use them for comparison to results of calculations of cascade damage ability. A correctness of such comparison by that above, than below temperature of a neutron irradiation. The purpose of work was experimental studying radiation clusters formed in FCC-metals at a low temperature neutron irradiation methods of dilatometry, field ion (FIM) and transmission electronic microscopy (TEM). Radiation clusters were studied: in industrial austenite steel C0.05Crl6Nil5Mo2Mnl, irradiated in reactor Rw-2a at temperature 310 K up to fluence intermediate and fast neutrons (with E > 0,1 MeV) 6.7·l0 21 m -2 ; in a modelling material - Pt (cleanliness of 99.99 %) with the same - FCC-structure in an initial condition and after an irradiation in reactor RWW-2M at temperature 310 K up to fluence intermediate and fast neutrons (with E > 0.1 MeV) 3.5·10 22 m -2 . As a result of an irradiation of steel and pure Pt, in these materials by methods FIM and TEM many radiation clusters, the accelerated neutrons initiated by interaction with substance was revealed. It is established that these damage areas represent the depleted zones containing separate vacancies, and also small vacancy complexes, with the 'belt' interstitial atoms. The quantitative estimation of the sizes of such radiating defects is lead and their density in volume is experimentally established. So the neutron irradiation of steel at temperature 310 K up to fluence 6.7·10 21 m -2 causes formation radiation clusters which average diameter according to TEM makes 3 nanometers. Observable by methods FIM clusters have the

Dislocations in materials with mixed covalent and metallic bonding

International Nuclear Information System (INIS)

Nguyen-Manh, D.; Cawkwell, M.J.; Groeger, R.; Mrovec, M.; Porizek, R.; Pettifor, D.G.; Vitek, V.

2005-01-01

Environment-dependent bond-order potentials have been developed for L1 0 TiAl, bcc Mo and fcc Ir. They comprise both the angular character of bonding and the screening effect of nearly free electrons. These potentials have been employed in atomistic studies of screw dislocations that revealed the non-planar character of their cores. It is argued that both covalent as well as metallic character of bonding govern these structures, which in turn control the mechanical behaviour

A concise design o the irradiation of U-10Zr metallic fuel at a very low burnup

International Nuclear Information System (INIS)

Guo, Hai Bing; Zhou, Wei; Sun, Yong; Qian, Dazhi; Ma, Jimin; Leng, Jun; Huo, Hyoung; Wang, Shaohua

2017-01-01

In order to investigate the swelling behavior and fuel–cladding interaction mechanism of U–10Zr alloy metallic fuel at very low burnup, an irradiation experiment was concisely designed and conducted on the China Mianyang Research Reactor. Two types of irradiation samples were designed for studying free swelling without restraint and the fuel–cladding interaction mechanism. A new bonding material, namely, pure aluminum powder, was used to fill the gap between the fuel slug and sample shell for reducing thermal resistance and allowing the expansion of the fuel slug. In this paper, the concise irradiation rig design is introduced, and the neutronic and thermal–hydraulic analyses, which were carried out mainly using MCNP (Monte Carlo N-Particle) and FLUENT codes, are presented. Out-of-pile tests were conducted prior to irradiation to verify the manufacturing quality and hydraulic performance of the rig. Nondestructive postirradiation examinations using cold neutron radiography technology were conducted to check fuel cladding integrity and swelling behavior. The results of the preliminary examinations confirmed the safety and effectiveness of the design

Influence of irradiated chitosan on rice plants growing in hydroponic medium contaminated with salt and heavy metals

International Nuclear Information System (INIS)

Lam, N.D.; Diep, T.B.; Kume, Tamikazu

2000-01-01

Effect of chitosan and radiation-degraded chitosan on rice seedlings of a Vietnam's original variety was investigated. Potential of irradiated chitosan in plant tolerance for several stress factors (salt, zinc, and vanadium) also was studied as well. Chitosan represented in hydroponic medium clearly inhibited the growth of rice seedlings at concentrations arranging from 50 ppm. Radiation processing of chitosan with dose higher than 100 kGy reduced toxicity of chitosan and the efficacy was of dose proportion. Rice plant of 203 origin was almost normally grown in hydroponic solution containing chitosan that has been irradiated with dose of 150 and 200 kGy. Irradiated chitosan increased plant resistance to environmental stress caused by vanadium (V); thereby the seedlings could be recovered completely, even gained in biomass. This effect was not appeared when applied chitosan to rice in media contaminated by zinc (Zn) and salt (NaCl). The selectness of irradiated chitosan on various stress factors partly clarified the assistant action of chitosan in the vanadium intoxication because chelating with metal ions could not be evaluated as main mechanism. (author)

A concise design o the irradiation of U-10Zr metallic fuel at a very low burnup

Energy Technology Data Exchange (ETDEWEB)

Guo, Hai Bing; Zhou, Wei; Sun, Yong; Qian, Dazhi; Ma, Jimin; Leng, Jun; Huo, Hyoung; Wang, Shaohua [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang (China)

2017-06-15

In order to investigate the swelling behavior and fuel–cladding interaction mechanism of U–10Zr alloy metallic fuel at very low burnup, an irradiation experiment was concisely designed and conducted on the China Mianyang Research Reactor. Two types of irradiation samples were designed for studying free swelling without restraint and the fuel–cladding interaction mechanism. A new bonding material, namely, pure aluminum powder, was used to fill the gap between the fuel slug and sample shell for reducing thermal resistance and allowing the expansion of the fuel slug. In this paper, the concise irradiation rig design is introduced, and the neutronic and thermal–hydraulic analyses, which were carried out mainly using MCNP (Monte Carlo N-Particle) and FLUENT codes, are presented. Out-of-pile tests were conducted prior to irradiation to verify the manufacturing quality and hydraulic performance of the rig. Nondestructive postirradiation examinations using cold neutron radiography technology were conducted to check fuel cladding integrity and swelling behavior. The results of the preliminary examinations confirmed the safety and effectiveness of the design.

Contribution to the study of metallic impurities diffusion in a polymer film (KAPTON) under and out of irradiation

International Nuclear Information System (INIS)

Marin, N.

1995-01-01

The main topic of this work is the diffusion behaviour in the polymer film Kapton, under and out of irradiation, of metallic coatings with different reactivity (copper, nickel, titanium) deposited by sputtering. The analysis of diffusion profiles has been performed by backscattering spectrometry, which, in association with cross-section microscopy, allows to connect the diffusion behaviour to the microscopic structure of the metal/Kapton interface. Generally speaking, the study under thermal annealing shows the importance of peculiarities of commercials polymers. In particular, additional elements they contain are liable to modify their surface characteristics and, as a consequence, diffusion. So, unlike observations in model polyimides, we show that even weakly reactive metals do not diffuse inside the polymer. Besides, there exists an energy threshold of Ar + used for sputtering, above which copper layers become very stable and so come up to industry's expectation. The study under irradiation gives evidence for copper diffusion under irradiation, resulting in 15 mn mean radius spherical clusters inside the modified polymer. This fast diffusion is shown to be due to the concomitant effect of nuclear collisions and temperature. This study is also the opportunity to show dramatic radiation-induced effects in Kapton, more particularly a large modification of mechanical and optical properties with the loss of more volatile elements (H, N,O). With regard to methodology, this study shows the strong ambiguity in the RBS spectrum interpretation in the case of lateral non-uniformity, and we propose a model giving access to the statistical distribution of the non-uniform property of the target. (author). 262 refs., 99 figs., 8 appends

Bond-order potential for magnetic body-centered-cubic iron and its transferability

Science.gov (United States)

Lin, Yi-Shen; Mrovec, M.; Vitek, V.

2016-06-01

different less symmetric structures and phonons. The results of these calculations are compared with either experiments or calculations based on the density functional theory (DFT), and they all show very good agreement. Importantly, the lowest energy configuration of SIAs agrees with DFT calculations that show that it is an exception within bcc transition metals controlled by magnetism. Moreover, the migration energy of interstitials is significantly lower than that of vacancies, which is essential for correct analysis of the effects of irradiation. Finally, the core structure and glide of ½ screw dislocations that control the plastic flow in single crystals of bcc metals was explored. The results fully agree with available DFT based studies and with experimental observations of the slip geometry of bcc iron at low temperatures.

3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron

Czech Academy of Sciences Publication Activity Database

Uhnáková, Alena; Machová, Anna; Hora, Petr

2011-01-01

Roč. 33, č. 9 (2011), s. 1182-1188 ISSN 0142-1123 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : 3D molecular dynamics * fatigue * bcc iron * mode I Subject RIV: JG - Metallurgy Impact factor: 1.546, year: 2011 http://www.sciencedirect.com/science/article/pii/S0142112311000600

Quantum-based Atomistic Simulation of Transition Metals

International Nuclear Information System (INIS)

Moriarty, J A; Benedict, L X; Glosli, J N; Hood, R Q; Orlikowski, D A; Patel, M V; Soderlind, P; Streitz, F H; Tang, M; Yang, L H

2005-01-01

First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in d-electron transition metals within density-functional quantum mechanics. In mid-period bcc metals, where multi-ion angular forces are important to structural properties, simplified model GPT or MGPT potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect and mechanical properties at both ambient and extreme conditions of pressure and temperature. Recent algorithm improvements have also led to a more general matrix representation of MGPT beyond canonical bands allowing increased accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed, and the current development of temperature-dependent potentials

Development of a production scale purification of Ge-68 from irradiated gallium metal

Energy Technology Data Exchange (ETDEWEB)

Fitzsimmons, Jonathan M.; Mausner, Leonard [Brookhaven National Laboratory, Upton, NY (United States)

2015-05-01

Germanium-68 (Ge-68) is produced by proton irradiation of a gallium metal target and purified by organic extraction. The Ge-68 can be used in a medical isotope generator to produce Gallium-68 (Ga-68) which can be used to radiolabel PET imaging agents. The emerging use of Ge-68 in the Ga-68 medical isotope generator has caused us to develop a new purification method for Ge-68 that does not use toxic solvents. The purpose of this work was to develop a production scale separation of Ge-68 that utilizes a leaching step to remove a bulk of the gallium metal, followed by purification with Sephadex {sup copyright} G25. Production scale (300 mCi) purification was performed with the new method. The purified Ge-68 contained the highest radioactivity concentration of Ge-68 produced at BNL; the sample meet Department of Energy specifications and the method had an excellent recovery of Ge-68.

Final report on neutron irradiation at low temperature to investigate plastic instability and at high temperature to study caviation

DEFF Research Database (Denmark)

Singh, B.N; Eldrup, Morten Mostgaard; Golubov, D.J.

2005-01-01

Effects of neutron irradiation on defect accumulation and physical and mechanical properties of pure iron and F82H and EUROFER 97 ferritic-martensitic steels have been investigated. Tensile specimens were neutron irradiated to a dose level of 0,23 dpa at333 and 573 K. Electrical resistivity......, based on the production bias model (PBM) were carried out to study the details of evolution of cavitieswith and without helium generation. The phenomena of dislocation decoration and raft formation, which are important for understanding radiation hardening and plastic flow localization, have been...... studied using the Kinetic Monte Carlo (KMC) code during arealistic dynamic irradiation of bcc iron at 300 K. Molecular dynamics (MD) simulations have been carried out to study the stress dependencies of dislocation velocity and drag coefficient for an edge dislocation decorated with small SIA loops...

Study of Fe-Ni-Cr-Mo-Si-B metallic glasses after neutron irradiation

International Nuclear Information System (INIS)

Sitek, J.; Miglierini, M.; Lipka, J.; Toth, I.

1992-01-01

Chromium containing metallic glasses are studied by transmission 57 Fe Moessbauer spectroscopy after neutron irradiation. Increasing number of non-magnetic chromium atoms causes a compositional dependence of Curie temperature. The unirradiated samples are fully paramagnetic for x≥10 at.% Cr at room temperature. Radiation induced changes in the magnetic structure imply a decrease of the Curie temperature. Ferromagnetic-to-paramagnetic transition is observed at room temperature for 8 at.% Cr after the exposure with 10 19 n/cm 2 . Using low temperature measurements, the Curie temperature for the sample containing 10 at.% Cr is estimated to be about 270 K. (orig.)

Complications related to conventional self-expandable metal stent insertion and internal irradiation stent insertion in patients with advanced esophageal carcinoma: an analysis of 32 cases

International Nuclear Information System (INIS)

Xu Xingwen; Di Haiting; Zhu Jun; Shi Jian

2011-01-01

Objective: To compare the occurrence of complications between conventional self-expandable metal stent and internal irradiation stent insertion in treating patients with advanced esophageal carcinomas. Methods: A total of 32 patients with advanced esophageal carcinoma were randomly divided into irradiation stent group (n=15) and conventional stent group (n=17). Internal irradiation stent loaded with 125 I seeds was employed in patients of irradiation stent group, while conventional self-expandable metal stent was used in patients of conventional stent group. After the treatment, clinical follow-up was regularly conducted. Postoperative complications such as fever, severe chest pain, cough, esophageal perforation, pneumonia, hemorrhage, stent migration and restenosis, etc. were observed. Results: No significant difference in the occurrence of fever, severe chest pain, esophageal perforation and hemorrhage existed between the two groups (P>0.05). The difference in the occurrence of long-term complications such as stent migration or restenosis between the two groups was out statistically significant (P>0.05). However, the restenosis in irradiation stent group occurred obviously much later than that in conventional stent group. Conclusion: For the treatment of advanced esophageal carcinomas, the insertion of internal irradiation esophageal stent is safe. It dose not increase the incidence of postoperative complications. Therefore, it is worth popularizing this technique in clinical practice. (authors)

Atomic defects and diffusion in metals

International Nuclear Information System (INIS)

Siegel, R.W.

1981-11-01

The tracer self-diffusion data for fcc and refractory bcc metals are briefly reviewed with respect to (i) the available monovacancy formation and migration properties and (ii) the high-temperature diffusion enhancement above that expected for mass transport via atomic exchange with monovacancies. While the atomic-defect mechanism for low-temperature self-diffusion can be reliably attributed to monovacancies, the mechanisms responsible for high-temperature mass transport are not so easily defined at this time; both divacancies and interstitials must be seriously considered. Possibilities for improving our understanding in this area are discussed. 68 references, 7 figures

Modification of Structure and Tribological Properties of the Surface Layer of Metal-Ceramic Composite under Electron Irradiation in the Plasmas of Inert Gases

Science.gov (United States)

Ovcharenko, V. E.; Ivanov, K. V.; Mohovikov, A. A.; Yu, B.; Xu, Yu; Zhong, L.

2018-01-01

Metal-ceramic composites are the main materials for high-load parts in tribomechanical systems. Modern approaches to extend the operation life of tribomechanical systems are based on increasing the strength and tribological properties of the surface layer having 100 to 200 microns in depth. The essential improvement of the properties occurs when high dispersed structure is formed in the surface layer using high-energy processing. As a result of the dispersed structure formation the more uniform distribution of elastic stresses takes place under mechanical or thermal action, the energy of stress concentrators emergence significantly increases and the probability of internal defects formation reduces. The promising method to form the dispersed structure in the surface layer is pulse electron irradiation in the plasmas of inert gases combining electron irradiation and ion bombardment in one process. The present work reports upon the effect of pulse electron irradiation in plasmas of different inert gases with different atomic mass and ionization energy on the structure and tribological properties of the surface layer of TiC/(Ni-Cr) metal-ceramic composite with the volume ratio of the component being 50:50. It is experimentally shown that high-dispersed heterophase structure with a fraction of nanosized particles is formed during the irradiation. Electron microscopy study reveals that refining of the initial coarse TiC particles occurs via their dissolution in the molten metal binder followed by the precipitation of secondary fine particles in the interparticle layers of the binder. The depth of modified layer and the fraction of nanosized particles increase when the atomic number of the plasma gas increases and ionization energy decreases. The wear resistance of metal-ceramic composite improves in accordance to the formation of nanocrystalline structure in the surface layer.

ZnO synthesized in air by fs laser irradiation on metallic Zn thin films

Science.gov (United States)

Esqueda-Barrón, Y.; Herrera, M.; Camacho-López, S.

2018-05-01

We present results on rapid femtosecond laser synthesis of nanostructured ZnO. We used metallic Zn thin films to laser scan along straight tracks, until forming nanostructured ZnO. The synthesis dependence on laser irradiation parameters such as the per pulse fluence, integrated fluence, laser scan speed, and number of scans were explored carefully. SEM characterization showed that the morphology of the obtained ZnO is dictated by the integrated fluence and the laser scan speed; micro Raman and XRD results allowed to identify optimal laser processing conditions for getting good quality ZnO; and cathodoluminescence measurements demonstrated that a single laser scan at high per pulse laser fluence, but a medium integrated laser fluence and a medium laser scan speed favors a low density of point-defects in the lattice. Electrical measurements showed a correlation between resistivity of the laser produced ZnO and point-defects created during the synthesis. Transmittance measurements showed that, the synthesized ZnO can reach down to the supporting fused silica substrate under the right laser irradiation conditions. The physical mechanism for the formation of ZnO, under ultrashort pulse laser irradiation, is discussed in view of the distinct times scales given by the laser pulse duration and the laser pulse repetition rate.

Tensile property changes of metals and irradiated to low doses with fission, fusion and spallation neutrons

International Nuclear Information System (INIS)

Heinisch, H.L.; Hamilton, M.L.; Sommer, W.F.; Ferguson, P.D.

1992-01-01

The objective of this work is to investigate the effects of the neutron energy spectrum in low dose irradiations on the microstructures and mechanical properties of metals. Radiation effects due to low doses of spallation neutrons are compared directly to those produced by fission and fusion neutrons. Yield stress changes of pure Cu, alumina-dispersion-strengthened Cu and AISI 316 stainless steel irradiated at 36-55 C in the Los Alamos Spallation Radiation Effects Facility (LASREF) are compared with earlier results of irradiations at 90 C using 14 MeV D-T fusion neutrons at the Rotating Target Neutron Source and fission reactor neutrons in the Omega West Reactor. At doses up to 0.04 displacements per atom (dpa), the yield stress changes due to the three quite different neutron spectra correlate well on the basis of dpa in the stainless steel and the Cu alloy. However, in pure Cu, the measured yield stress changes due to spallation neutrons were anomalously small and should be verified by additional irradiations. With the exception of pure Cu, the low dose, low temperature experiments reveal no fundamental differences in radiation hardening by fission, fusion or spallation neutrons when compared on the basis of dpa

Dried gamma-irradiated sewage solids use on calcareous soils: crop yeilds and heavy metals uptake

International Nuclear Information System (INIS)

McCaslin, B.D.; Sivinski, J.S.

1979-01-01

Experiments designed to examine gamma-radiation effects on extractable and plant-available sludge elements and to examine the response of crops to sludge applications on two typical, calcareous soils in New Mexico are summarized. Information has been given indicating that the radiation process of reducing pathogens in sewage products being developed by Sandia Laboratories, does not significantly increase the chemical extractability and plant uptake of a broad range of nutrients and heavy metals. However, radiation treatment greatly facilitates handling sewage for experimentation, because pathogen contamination precautions are eliminated and weed seeds killed. Studies on the effects of sludge irradiation on plant nutrient uptake revealed no concentration increases, agreeing with results presented herein. Sewage products may have special potential for use on calcareous soils, such as in New Mexico. For instance, in New Mexico the lack of potassium in sewage products is not a problem and the naturally high pH of New Mexico soil greatly reduces plant availability of many problem heavy metals. Dramatic increases in yield are typified by the greenhouse and field results presented herein, especially for the known micronutrient deficient soils of New Mexico. Results indicate that sewage sludge is an excellent Zn and Fe fertilizer. More research needs to be done before the economics of sludge application can be calculated and more field information is needed before irradiated sewage products are used indiscriminately

Dried gamma-irradiated sewage solids use on calcareous soils: crop yeilds and heavy metals uptake

Energy Technology Data Exchange (ETDEWEB)

McCaslin, B.D.; Sivinski, J.S.

1979-01-01

Experiments designed to examine gamma-radiation effects on extractable and plant-available sludge elements and to examine the response of crops to sludge applications on two typical, calcareous soils in New Mexico are summarized. Information has been given indicating that the radiation process of reducing pathogens in sewage products being developed by Sandia Laboratories, does not significantly increase the chemical extractability and plant uptake of a broad range of nutrients and heavy metals. However, radiation treatment greatly facilitates handling sewage for experimentation, because pathogen contamination precautions are eliminated and weed seeds killed. Studies on the effects of sludge irradiation on plant nutrient uptake revealed no concentration increases, agreeing with results presented herein. Sewage products may have special potential for use on calcareous soils, such as in New Mexico. For instance, in New Mexico the lack of potassium in sewage products is not a problem and the naturally high pH of New Mexico soil greatly reduces plant availability of many problem heavy metals. Dramatic increases in yield are typified by the greenhouse and field results presented herein, especially for the known micronutrient deficient soils of New Mexico. Results indicate that sewage sludge is an excellent Zn and Fe fertilizer. More research needs to be done before the economics of sludge application can be calculated and more field information is needed before irradiated sewage products are used indiscriminately. (ERB)

Softening of metals under hydrogen ion irradiation

International Nuclear Information System (INIS)

Guseva, M.I.; Korshunov, S.N.; Martynenko, Yu.V.; Skorlupkin, I.D.

2005-01-01

Experimental study results are presented on steel type 18-10 creep under hydrogen ion irradiation. The Irradiation of annealed specimens is accomplished by 15 keV H 2 + ions with a dose up to 10 22 m -2 at current density of 0.6 A/m 2 at temperatures of 570-770 K. Creep tests show that the irradiation at T = 770 K results in a sharp increase of creep rate. At t 570 K the effect of ion-induced creep in steel 18-10 is not observed. The model is proposed which explains the ion-induced creep by accumulation of hydrogen along grain boundaries, their weakening and removal of obstacles to sliding [ru

A calculation of the surface recombination rate constant for hydrogen isotopes on metals

International Nuclear Information System (INIS)

Baskes, M.J.

1980-01-01

The surface recombination rate constant for hydrogen isotopes on a metal has been calculated using a simple model whose parameters may be determined by direct experimental measurements. Using the experimental values for hydrogen diffusivity, solubility, and sticking coefficient at zero surface coverage a reasonable prediction of the surface recombination constant may be made. The calculated recombination constant is in excellent agreement with experiment for bcc iron. A heuristic argument is developed which, along with the rate constant calculation, shows that surface recombination is important in those metals in which hydrogen has an exothermic heat of solution. (orig.)

Experimental identification for physical mechanism of fiber-form nanostructure growth on metal surfaces with helium plasma irradiation

Energy Technology Data Exchange (ETDEWEB)

Takamura, S., E-mail: takamura@aitech.ac.jp [Faculty of Engineering, Aichi Institute of Technology, Yakusa-cho, Toyota 470-0392 (Japan); Uesugi, Y. [Faculty of Electrical and Computer Engineering, Institute of Science and Engineering, Kanazawa University, Kanazawa 920-1192 (Japan)

2015-11-30

Highlights: • Initial growth process of fiber-form nanostructure on metal surfaces under helium ion irradiation is given based on experimental knowledge, where the pitting of original surface and forming nano-walls and/or loop-like nanostructure works as precursors. • The physical mechanism of fiber growth is discussed in terms of shear modulus of metals influenced by helium content as well as surface temperature. • The physical model explains the reason why tantalum does not make sufficiently grown nano-fibers, and the temperature dependence of surface morphology of titanium. - Abstract: The initial stage of fiber-form nanostructure growth on metal surface with helium plasma irradiation is illustrated, taking recent research knowledge using a flux gradient technique, and including loop-like nano-scale structure as precursors. The growth mechanism of fibers is discussed in terms of the shear modulus of various materials that is influenced by the helium content as well as the surface temperature, and the mobility of helium atoms, clusters and/or nano-bubbles in the bulk, loops and fibers. This model may explain the reason why tantalum does not provide fiber-form nanostructure although the loop-like structure was identified. The model also suggests the mechanism of an existence of two kinds of nanostructure of titanium depending on surface temperature. Industrial applications of such nanostructures are suggested in the properties and the possibilities of its growth on other basic materials.

A new code for predicting the thermo-mechanical and irradiation behavior of metallic fuels in sodium fast reactors

Energy Technology Data Exchange (ETDEWEB)

Karahan, Aydin, E-mail: karahan@mit.ed [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology (United States); Buongiorno, Jacopo [Center for Advanced Nuclear Energy Systems, Nuclear Science and Engineering Department, Massachusetts Institute of Technology (United States)

2010-01-31

An engineering code to predict the irradiation behavior of U-Zr and U-Pu-Zr metallic alloy fuel pins and UO{sub 2}-PuO{sub 2} mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named Fuel Engineering and Structural analysis Tool (FEAST). FEAST has several modules working in coupled form with an explicit numerical algorithm. These modules describe fission gas release and fuel swelling, fuel chemistry and restructuring, temperature distribution, fuel-clad chemical interaction, and fuel and clad mechanical analysis including transient creep-fracture for the clad. Given the fuel pin geometry, composition and irradiation history, FEAST can analyze fuel and clad thermo-mechanical behavior at both steady-state and design-basis (non-disruptive) transient scenarios. FEAST was written in FORTRAN-90 and has a simple input file similar to that of the LWR fuel code FRAPCON. The metal-fuel version is called FEAST-METAL, and is described in this paper. The oxide-fuel version, FEAST-OXIDE is described in a companion paper. With respect to the old Argonne National Laboratory code LIFE-METAL and other same-generation codes, FEAST-METAL emphasizes more mechanistic, less empirical models, whenever available. Specifically, fission gas release and swelling are modeled with the GRSIS algorithm, which is based on detailed tracking of fission gas bubbles within the metal fuel. Migration of the fuel constituents is modeled by means of thermo-transport theory. Fuel-clad chemical interaction models based on precipitation kinetics were developed for steady-state operation and transients. Finally, a transient intergranular creep-fracture model for the clad, which tracks the nucleation and growth of the cavities at the grain boundaries, was developed for and implemented in the code. Reducing the empiricism in the constitutive models should make it more acceptable to extrapolate FEAST-METAL to new fuel compositions and higher burnup, as envisioned in advanced sodium

A new code for predicting the thermo-mechanical and irradiation behavior of metallic fuels in sodium fast reactors

International Nuclear Information System (INIS)

Karahan, Aydin; Buongiorno, Jacopo

2010-01-01

An engineering code to predict the irradiation behavior of U-Zr and U-Pu-Zr metallic alloy fuel pins and UO 2 -PuO 2 mixed oxide fuel pins in sodium-cooled fast reactors was developed. The code was named Fuel Engineering and Structural analysis Tool (FEAST). FEAST has several modules working in coupled form with an explicit numerical algorithm. These modules describe fission gas release and fuel swelling, fuel chemistry and restructuring, temperature distribution, fuel-clad chemical interaction, and fuel and clad mechanical analysis including transient creep-fracture for the clad. Given the fuel pin geometry, composition and irradiation history, FEAST can analyze fuel and clad thermo-mechanical behavior at both steady-state and design-basis (non-disruptive) transient scenarios. FEAST was written in FORTRAN-90 and has a simple input file similar to that of the LWR fuel code FRAPCON. The metal-fuel version is called FEAST-METAL, and is described in this paper. The oxide-fuel version, FEAST-OXIDE is described in a companion paper. With respect to the old Argonne National Laboratory code LIFE-METAL and other same-generation codes, FEAST-METAL emphasizes more mechanistic, less empirical models, whenever available. Specifically, fission gas release and swelling are modeled with the GRSIS algorithm, which is based on detailed tracking of fission gas bubbles within the metal fuel. Migration of the fuel constituents is modeled by means of thermo-transport theory. Fuel-clad chemical interaction models based on precipitation kinetics were developed for steady-state operation and transients. Finally, a transient intergranular creep-fracture model for the clad, which tracks the nucleation and growth of the cavities at the grain boundaries, was developed for and implemented in the code. Reducing the empiricism in the constitutive models should make it more acceptable to extrapolate FEAST-METAL to new fuel compositions and higher burnup, as envisioned in advanced sodium reactors

Metastable Structural Phases of Metals in Columns IVB to Vib, and Rows 4 TO 6 OF the Periodic Table

Science.gov (United States)

Nnolim, Neme; Tyson, Trevor

2002-03-01

Total energy calculations as a function of strain along the direction have been carried out for the bcc metals V, Nb, Ta, Cr, Mo and W, and the hcp metals Ti, Zr and Hf, all in the block of the periodic table defined by columns IVB to VIB, and rows 4 to 6. Since strain along the direction corresponds to variation of the c lattice constant with respect to the a lattice constant, the total energy per unit cell has being calculated as a function of the c/a ratio. The highly accurate FP-LAPW (Full Potential Linearized Augmented Plane Wave) band structure method in the DFT (Density Functional Theory) formalism has been used for the calculations. In all cases except for the hcp column IVB elements, Zr, Hf and Ti, a metastable state was predicted from the calculations. Electronic properties are computed for all structures and are correlated with electrical and mechanical properties of metastable phases that have been observed experimentally. Properties of metastable phases, which were predicted in this work but which as of yet have not been observed experimentally, have also been predicted. Special attention is paid to the phases of tantalum and calculated transport properties are used to show that the observed high resistivity of the beta phase of tantalum relative to the alpha bcc phase cannot be explained solely by simple tetragonal distortions of the bcc phase.

Stability of void lattices under irradiation: a kinetic model

International Nuclear Information System (INIS)

Benoist, P.; Martin, G.

1975-01-01

Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice

Stability of void lattices under irradiation: a kinetic model

International Nuclear Information System (INIS)

Benoist, P.; Martin, G.

1975-01-01

Voids are imbedded in a homogeneous medium where point defects are uniformly created and annihilated. As shown by a perturbation calculation, the proportion of the defects which are lost on the cavities goes through a maximum, when the voids are arranged on a translation lattice. If a void is displaced from its lattice site, its growth the rate becomes anisotropic and is larger in the direction of the vacant site. The relative efficiency of BCC versus FCC void lattices for the capture of point defects is shown to depend on the relaxation length of the point defects in the surrounding medium. It is shown that the rate of energy dissipation in the crystal under irradiation is maximum when the voids are ordered on the appropriate lattice [fr

Itinerant-electron antiferromagnetism and superconductivity in bcc Cr-Re alloys

International Nuclear Information System (INIS)

Nishihara, Y.; Yamaguchi, Y.; Kohara, T.; Tokumoto, M.

1985-01-01

The magnetic and superconducting properties of bcc Cr-Re alloys with up to 40 at. % Re were studied via measurements of the magnetic susceptibility, electrical resistivity, and nuclear magnetic resonance of the Re nuclei. Antiferromagnetic order coexists with superconductivity above 18 at. % Re. The results were analyzed with the coexistence model of spin-density waves and superconductivity. In the Re-concentration range greater than 18 at. %, about 10% of the Fermi surface satisfies the nesting condition and the rest of it contributes to form the superconducting gap. This model also explains the increase in the superconducting transition temperature and the decrease in the magnetic susceptibility by annealing as a competing effect between spin-density waves and superconductivity

Phase stability and microstructures of high entropy alloys ion irradiated to high doses

Energy Technology Data Exchange (ETDEWEB)

Xia, Songqin [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing, 100083 (China); Gao, Michael C. [National Energy Technology Laboratory, 1450 Queen Ave SW, Albany, OR, 97321 (United States); AECOM, P.O. Box 1959, Albany, OR, 97321 (United States); Yang, Tengfei [State Key Laboratory of Nuclear Physics and Technology, Center for Applied Physics and Technology, Peking University, Beijing, 100871 (China); Liaw, Peter K. [Department of Materials Science and Engineering, The University of Tennessee, Knoxville, TN, 37996 (United States); Zhang, Yong, E-mail: drzhangy@ustb.edu.cn [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing, 100083 (China)

2016-11-15

The microstructures of Al{sub x}CoCrFeNi (x = 0.1, 0.75 and 1.5 in molar ratio) high entropy alloys (HEAs) irradiated at room temperature with 3 MeV Au ions at the highest fluence of 105, 91, and 81 displacement per atom, respectively, were studied. Transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) analyses show that the initial microstructures and phase composition of all three alloys are retained after ion irradiation and no phase decomposition is observed. Furthermore, it is demonstrated that the disordered face-centered cubic (FCC) and disordered body-centered cubic (BCC) phases show much less defect cluster formation and structural damage than the NiAl-type ordered B2 phase. This effect is explained by higher entropy of mixing, higher defect formation/migration energies, substantially lower thermal conductivity, and higher atomic level stress in the disordered phases.

Converting hcp Mg-Al-Zn alloy into bcc Mg-Li-Al-Zn alloy by electrolytic deposition and diffusion of reduced lithium atoms in a molten salt electrolyte LiCl-KCl

International Nuclear Information System (INIS)

Lin, M.C.; Tsai, C.Y.; Uan, J.Y.

2007-01-01

A body-centered cubic (bcc) Mg-12Li-9Al-1Zn (wt.%) alloy was fabricated in air by electrolysis from LiCl-KCl molten salt at 500 deg. C. Electrolytic deposition of Li atoms on cathode (Mg-Al-Zn alloy) and diffusion of the Li atoms formed the bcc Mg-Li-Al-Zn alloy with 12 wt.% Li and only 0.264 wt.% K. Low K concentration in the bcc Mg alloy strip after the electrolysis process resulted from 47% atomic size misfit between K and Mg atoms and low solubility of K in Mg matrix

Data collection on the effect of irradiation on the mechanical properties of austenitic stainless steels and weld metals

International Nuclear Information System (INIS)

Picker, C.; Wareing, J.; Tavassoli, A.A.

1995-01-01

Data on the influence of low dose irradiation on the mechanical properties of structural steels (Types 304, 316, 316L, 316H and 316L(N) and associated weld metals) at temperatures from 20 deg. C to 750 deg. C, have been compiled from published literature and the results of British, Dutch, French and German Laboratories. The preliminary results, which cover the dose range from 0 to 5 displacements per atom (and/or up to 2 appm helium) are presented as comparisons between irradiated and unirradiated control data, covering a range of strength and cyclic properties. The results show that low dose irradiation can have a significant influence on the properties ranging from increases in 0.2% proof stress to decreases in stress rupture strength and ductility. More detailed investigations of the significant factors on the individual properties will be completed in the future. (author). 13 figs, 1 tab

Temperature dependent magnon-phonon coupling in bcc Fe from theory and experiment.

Science.gov (United States)

Körmann, F; Grabowski, B; Dutta, B; Hickel, T; Mauger, L; Fultz, B; Neugebauer, J

2014-10-17

An ab initio based framework for quantitatively assessing the phonon contribution due to magnon-phonon interactions and lattice expansion is developed. The theoretical results for bcc Fe are in very good agreement with high-quality phonon frequency measurements. For some phonon branches, the magnon-phonon interaction is an order of magnitude larger than the phonon shift due to lattice expansion, demonstrating the strong impact of magnetic short-range order even significantly above the Curie temperature. The framework closes the previous simulation gap between the ferro- and paramagnetic limits.

Radiation effects on BCC metals and alloys. Final report, March 1, 1970 to August 31, 1980

International Nuclear Information System (INIS)

Moteff, J.

1980-12-01

To contribute to more meaningful and self-consistent deformation and/or strengthening models, use was made of quantitative transmission electron microscopy to obtain the number density and size distribution of the various defect states in the irradiated material. With this information, the influence of defects on dislocation mobility and deformation modes was determined. In addition, by means of high temperature anneals for different time intervals, the original defect states was significantly changed so that the above dislocation-defect interaction models may be tested under many different conditions. Combinations of time at temperature and appied stress has been shown to be extremely important in the dislocation channeling phenomenon, a circumstance that is closely associated with irradiation induced embrittlement. Detailed resistivity measurements, a technique for determining defect thermal stability and recovery kinetics, was used to establish critical test temperatures

A review of recent theoretical developments in the understanding of the migration of helium in metals and its interaction with lattice defects

International Nuclear Information System (INIS)

Reed, D.J.

1977-01-01

Recent theoretical calculations of the properties of rare gases, and in particular helium, in the common f.c.c. and b.c.c. metals, are reviewed from the viewpoint of the investigator concerned with the behaviour of rare gas in such radiation damage processes as surface blistering and void swelling. Particular attention is paid to mechanisms by which helium may migrate in a damaged metal lattice during irradiation and to the properties of small gas and vacancy clusters which may represent bubble or void nuclei. Initially the proposed rapid migration of interstitial helium is discussed together with the substitutional de-trapping mechanism, whereby thermally activated helium jumps from a substitutional to an interstitial position. This enables a mechanism of substitutional helium diffusion to be proposed which may proceed at temperatures below those of self-diffusion. The formation, binding, migration and dissociation energies of gas-vacancy clusters have been reviewed. The relevance of the predicted trend towards the optimum stability of clusters composed of equal numbers of gas atoms and vacancies is discussed. The limited data available concerned with the binding of a helium atom to a pure dislocation line is presented together with comments on the possible nature of the interaction of helium with the dislocation jog. (author)

Crack-induced stress, dislocations and acoustic emission by 3-D atomistic simulation in bcc iron

Czech Academy of Sciences Publication Activity Database

Spielmannová, Alena; Machová, Anna; Hora, Petr

2009-01-01

Roč. 57, č. 14 (2009), s. 4065-4073 ISSN 1359-6454 R&D Projects: GA ČR GA101/09/1630; GA AV ČR KJB200760802; GA ČR(CZ) GA101/07/0789 Institutional research plan: CEZ:AV0Z20760514 Keywords : bcc iron * crack * dislocation emisision Subject RIV: JG - Metallurgy Impact factor: 3.760, year: 2009

Use of microhardness to determine the strengthening and microstructural alterations of 14-MeV-neutron-irradiated metals

International Nuclear Information System (INIS)

Panayotou, N.F.

1982-02-01

Microhardness has been found to be an effective post-irradiation analytical tool. The hardening of recrystallized copper and type 316 stainless steel irradiated up to 1 x 10 18 n/cm 2 , E = 14 MeV, at the Rotating Target Neutron Source (RTNS)-II has been studied. It was determined that for these metals the increase in hardness varies directly with the measured increase in the 0.2 percent offset yield strength. Furthermore the coupled use of microhardness and transmission electron microscope techniques provides an estimate of the defect population which was not resolved by TEM. This estimate in turn, was used to evaluate the magnitude of the proportionality constant used in the strong barrier model of radiation induced hardening

Assessment and correction of BCC_CSM's performance in capturing leading modes of summer precipitation over North Asia

KAUST Repository

Gong, Zhiqiang; Dogar, Muhammad Mubashar; Qiao, Shaobo; Hu, Po; Feng, Guolin

2017-01-01

in the tropical East Pacific. Nevertheless, BCC_CSM exhibits limited prediction skill over most part of NA and presents a deficiency in reproducing the EOF1's and EOF2's spatial pattern over central NA and EOF2's interannual variability. This can be attributed

Standard Guide for Simulation of Helium Effects in Irradiated Metals

CERN Document Server

American Society for Testing and Materials. Philadelphia

1996-01-01

1.1 This guide provides advice for conducting experiments to investigate the effects of helium on the properties of metals where the technique for introducing the helium differs in some way from the actual mechanism of introduction of helium in service. Simulation techniques considered for introducing helium shall include charged particle implantation, exposure to α-emitting radioisotopes, and tritium decay techniques. Procedures for the analysis of helium content and helium distribution within the specimen are also recommended. 1.2 Two other methods for introducing helium into irradiated materials are not covered in this guide. They are the enhancement of helium production in nickel-bearing alloys by spectral tailoring in mixed-spectrum fission reactors, and isotopic tailoring in both fast and mixed-spectrum fission reactors. These techniques are described in Refs (1-5). Dual ion beam techniques (6) for simultaneously implanting helium and generating displacement damage are also not included here. This lat...

Irradiation damage

International Nuclear Information System (INIS)

Howe, L.M.

2000-01-01

There is considerable interest in irradiation effects in intermetallic compounds from both the applied and fundamental aspects. Initially, this interest was associated mainly with nuclear reactor programs but it now extends to the fields of ion-beam modification of metals, behaviour of amorphous materials, ion-beam processing of electronic materials, and ion-beam simulations of various kinds. The field of irradiation damage in intermetallic compounds is rapidly expanding, and no attempt will be made in this chapter to cover all of the various aspects. Instead, attention will be focused on some specific areas and, hopefully, through these, some insight will be given into the physical processes involved, the present state of our knowledge, and the challenge of obtaining more comprehensive understanding in the future. The specific areas that will be covered are: point defects in intermetallic compounds; irradiation-enhanced ordering and irradiation-induced disordering of ordered alloys; irradiation-induced amorphization

Irradiation damage

Energy Technology Data Exchange (ETDEWEB)

Howe, L.M

2000-07-01

There is considerable interest in irradiation effects in intermetallic compounds from both the applied and fundamental aspects. Initially, this interest was associated mainly with nuclear reactor programs but it now extends to the fields of ion-beam modification of metals, behaviour of amorphous materials, ion-beam processing of electronic materials, and ion-beam simulations of various kinds. The field of irradiation damage in intermetallic compounds is rapidly expanding, and no attempt will be made in this chapter to cover all of the various aspects. Instead, attention will be focused on some specific areas and, hopefully, through these, some insight will be given into the physical processes involved, the present state of our knowledge, and the challenge of obtaining more comprehensive understanding in the future. The specific areas that will be covered are: point defects in intermetallic compounds; irradiation-enhanced ordering and irradiation-induced disordering of ordered alloys; irradiation-induced amorphization.

The grain boundary segregation of phosphorus in thermally aged and irradiated C-Mn submerged-are weld metal

International Nuclear Information System (INIS)

Mendes, C.M.

1999-01-01

The segregation of free phosphorus atoms to grain boundaries in C-Mn steels has been identified as an embrittlement mechanism. A change in the brittle fracture mechanism from transgranular to intergranular has been observed for materials with higher phosphorus grain boundary coverage. The grain boundary segregation of phosphorus in various steels used in the nuclear power industry has been thermodynamically and kinetically modelled mostly with the Langmuir-McLean model. Recent publications have also suggested that neutron irradiation can affect segregation and various attempts at modelling this are currently under way. The present paper describes a data base assembled on phosphorus grain boundary coverage measured by Auger electron spectroscopy on thermally aged and irradiated C-Mn submerged-arc weld specimens. Software tools were developed to evaluate the changes in phosphorus grain boundary coverage associated with instantaneous temperature changes and temperature gradients. The phosphorus free energy change associated with grain boundary segregation was modelled from the thermally aged data and used with the software to determine the phosphorus segregation in submerged-arc weld metals following the post weld stress relief heat treatments received prior to plant operation. The phosphorus grain boundary coverage changes arising from the thermal history of submerged-arc weld materials during irradiation were also modelled and found to compare well with data obtained on irradiated materials. It was concluded that under the irradiation conditions sampled, phosphorus grain boundary segregation in submerged-arc weld materials can be modelled successfully using only the thermal term without appealing to an irradiation induced segregation process. (author)

Preparation and adsorption behavior for metal ions and humic acid of chitosan derivatives crosslinked by irradiation

International Nuclear Information System (INIS)

Zhao Long; Wasikiewicz, J.M.; Mitomo, H.; Nagasawa, N.; Yoshii, F.

2007-01-01

This article deals with the determination of the adsorption properties of metal ions and humic acid in wa- ter on crosslinked chitosan derivatives (carboxymethylchitosan) which were formed using the irradiation technique without any additives. The solubility test of these crosslinked materials were investigated in acidic, alkaline media, distilled water, and certain organic solvents. Scanning electron microscopic (SEM) images showed that the crosslinked chitosan derivatives possessed a porous morphological structure. Charged characteristic analyses demonstrated typically pH-dependent properties of the crosslinked materials. The adsorption studies were carded out by the batch method at room temperature. Adsorption of heavy metal ions (such as Cu 2+ , Cd 2+ ) and humic acid onto crosslinked samples was found to be strongly pH-dependent. Adsorption kinetic studies indicated the rapid removal of metal ions, and humic acid from the aqueous solutions. Moreover, isothermal adsorption data revealed that Cu 2+ , Cd 2+ , and humic acid were removed by these crosslinked materials with high efficiency. Adsorption isothermal data were interpreted well by the Langmuir equation. These crosslinked carboxymethylated chitosan derivatives indicate favorable adsorption of metal ions and humic acid. (authors)

Modelling of initial stages of interstitial solid solution decomposition in bcc metals

Energy Technology Data Exchange (ETDEWEB)

Blanter, M S

1982-01-01

By means of a model of deformation interaction of interstitial atoms added by interlocking of the nearest positions the configuration of cluster of alien atoms intruded into octahedral ..cap alpha..-Fe, V, Nb and Ta interstitially sites is computerized. The cluster structure is determined by elastic properties, of the crystal lattice of the metal-solvent. Clusters in ..cap alpha..-Fe have a plate form in a plane (001) of half lattice period width, in V, Nb and Ta - of monatomic plate in a plane (110). Clusters of interstitials must be sufficiently stable and arise even in solutions low concentration.

Emergence of the bcc Phase and Phase Transition in Be through Phonon Quasiparticle Calculations

Science.gov (United States)

Zhang, D. B., Sr.; Wentzcovitch, R. M.

2016-12-01

Beryllium (Be) is an important material with applications in a number of areas ranging from aerospace components to X-ray equipment. Yet a precise understanding of the phase diagram of Be remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticle properties. We find that the hcp to bcc transition occurs near the melting curve at 0

Preparation and adsorption behavior for metal ions and humic acid of chitosan derivatives crosslinked by irradiation

International Nuclear Information System (INIS)

Zhao Long; Mitomo, H.; Yoshii, F.

2006-01-01

Introduction: Removing metal ions and humic acid from water in water treatment has attracted much environment and health interests. Adsorbents, derived from a nature polymer, are desired in the viewpoints of environment-conscious technologies. Recently, some nature materials such as chitin, chitosan and their derivatives have been identified as an attractive option due to their distinctive properties. For an insoluble adsorbent based on these polymers to be obtained over a broad pH range, modification through crosslinking is required. Crosslinking agents such as glutaric dialdehyde and ethylene glycol diglycidyl ether are frequently used for modification. However, these crosslinking agents are not preferred because of their physiological toxicity. Radiation-crosslinking without any additive in the fabrication process results in a high-purity product. In a previous work, we applied ionizing radiation to induce the crosslinking of carboxymethylchitosan under highly concentrated paste-like conditions. The aim of this study is to investigate the adsorption behavior of metal ions, humic acid on irradiation-crosslinked carboxymethylchitosan. Experimental: Irradiation of chitosan samples at paste-like state was done with an electron beam. The solubility test of these crosslinked materials were investigated in acidic, alkaline media, and some organic solvents. Swelling and charged characteristic analyses demonstrated typically pH-sensitive properties of these crosslinked materials. Scanning electron microscopic images showed that the crosslinked samples possessed porous morphological structure. The adsorption studies were carried out by the batch method at room temperature. Adsorption of heavy metal ions (such as Cu 2+ , Cd 2+ ) and humic acid onto crosslinked samples was found to be strongly pH-dependent. Adsorption kinetic studies indicated the rapid removal of metal ions, and humic acid from the aqueous solutions. Also, isothermal adsorption data revealed that Cu 2

Investigation of the effects of high-energy proton-beam irradiation on metal-oxide surfaces by using methane adsorption isotherms

International Nuclear Information System (INIS)

Kim, Euikwoun; Lee, Junggil; Kim, Jaeyong; Kim, Kyeryung

2012-01-01

The creation of possible local defects on metal-oxide surfaces due to irradiation with a high-energy proton beam was investigated by using a series of gas adsorption isotherms for methane (CH 4 ) on a MgO powder surface. After a MgO powder surface having only a (100) surface had been irradiated with a 35-MeV proton beam, the second atomic layer of methane had completely disappeared while two distinct atomic layers were found in a layer-by-layer fashion on the surfaces of unirradiated samples. This subtle modification of the surface is evidenced by a change of the contrasts in the morphologies measured a using a transmission electron microscopy. Combined results obtained from an electron microscopy and methane adsorption isotherms strongly suggest that the high-energy proton-beam irradiation induced a local surface modification by imparting kinetic energy to the sample. The calculation of the 2-dimensional compressibility values, which are responsible for the formation of the atomic layers, confirmed the surface modification after irradiating surface-clean MgO powders with a proton beam.

Evaluate and Analysis Efficiency of Safaga Port Using DEA-CCR, BCC and SBM Models-Comparison with DP World Sokhna

Science.gov (United States)

Elsayed, Ayman; Shabaan Khalil, Nabil

2017-10-01

The competition among maritime ports is increasing continuously; the main purpose of Safaga port is to become the best option for companies to carry out their trading activities, particularly importing and exporting The main objective of this research is to evaluate and analyze factors that may significantly affect the levels of Safaga port efficiency in Egypt (particularly the infrastructural capacity). The assessment of such efficiency is a task that must play an important role in the management of Safaga port in order to improve the possibility of development and success in commercial activities. Drawing on Data Envelopment Analysis(DEA)models, this paper develops a manner of assessing the comparative efficiency of Safaga port in Egypt during the study period 2004-2013. Previous research for port efficiencies measurement usually using radial DEA models (DEA-CCR), (DEA-BCC), but not using non radial DEA model. The research applying radial - output oriented (DEA-CCR), (DEA-BCC) and non-radial (DEA-SBM) model with ten inputs and four outputs. The results were obtained from the analysis input and output variables based on DEA-CCR, DEA-BCC and SBM models, by software Max DEA Pro 6.3. DP World Sokhna port higher efficiency for all outputs were compared to Safaga port. DP World Sokhna position is below the southern entrance to the Suez Canal, on the Red Sea, Egypt, makes it strategically located to handle cargo transiting through one of the world's busiest commercial waterways.

Effect of the coupling between electronic structure and crystalline structure on some properties of transition metals

International Nuclear Information System (INIS)

Nastar, M.

1994-01-01

The elastic constants, energetic stabilities and vacancy formation energies in transition metals are calculated within a Tight Binding model. In order to outline the effect of the electronic structure, these properties are represented as functions of band filling. The variation of the shear elastic constants of hexagonal close packed (HCP), body centered cubic (BCC) and face centered cubic (FCC) structures, is in contrast with the roughly parabolic behavior of bulk modulus. The general trends are in very good agreement with available experimental and 'ab initio' data. The vacancy formation energy in the BCC structure shows strong deviations from bell shape behavior with a maximum corresponding approximately to the band filling of group 6. This band filling effect contributes to the noticeable decrease of the self diffusion rate between group 4 and group 6. We demonstrate that the abrupt increase of the C' elastic constant, the NT 1 (0.-1.1) phonon frequency, the energy differences between BCC and HCP and between FCC and HCP as well as the vacancy formation energy, that occurs when going from Zr to Mo, is related to the presence of a pseudo-gap in the density of states of the BCC structure. Using the recursion method, we show that the general trends of these properties are correctly reproduced when considering only a few moments of the density of states (about 6). On the other hand, details such as the elastic constant singularities, are displayed only with an exact calculation of the density of states. (Author). 173 refs., 84 figs., 5 tabs

Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

Science.gov (United States)

Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

2017-09-01

The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (family of 〈 hkl 〉 loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the 〈 111 〉 crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

Geometric factors in f.c.c. and b.c.c. metal-on-metal epitaxy

International Nuclear Information System (INIS)

Bruce, L.A.; Jaeger, H.

1978-01-01

Deposits of Ni, Au and Ag formed by condensing metal vapour in U.H.V. onto (001)W, held at a temperature Tsub(s) in the range 300K< Tsub(s)<1200 K, always form epitaxial layers. However, while Au and Ag form (001) epitaxial layers of f.c.c. single crystals, (001)d parallel to (001)s with, say, [110]d parallel to [010]s, Ni and Cu occur in two orthogonal domains, each characterized by an exclusive set of fault (or twin) planes. Within a fault plane, atoms are hexagonally close-packed and, within a domain, fault planes are normal to either [1-1-0]s or [1-10]s and a close-packed direction in the planes is normal to the substrate. The lateral stacking of the fault planes may range from random at low values of Tsub(s) to that of, say, (11-1-) planes in heavily faulted and/or twinned (110) epitaxed f.c.c. material, or of basal planes in (110) epitaxed h.c.p. material at high values of Tsub(s). The results are readily explained on the basis of a growth model developed for deposits of Ni and Cu on (001) Ag. (author)

First-principles calculation for the effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron

International Nuclear Information System (INIS)

Itakura, Mitsuhiro; Kaburaki, Hideo; Yamaguchi, Masatake; Endo, Tatsuro; Higuchi, Kenji; Ogata, Shigenobu; Kimizuka, Hajime

2012-01-01

Effect of hydrogen atoms on the mobility of a screw dislocation in BCC iron has been evaluated using the first-principles calculation. The stable position of a hydrogen atom is found to be near the screw dislocation core and inside the core respectively when the dislocation is at the easy-core or hard-core configuration in BCC iron. The intrinsically unstable hard-core configuration of the screw dislocation is stabilized when a hydrogen atom is trapped inside the core. On the basis of this first-principles result, an elastic string model of a dislocation is developed to predict the kink motion in the presence of a hydrogen atom. It is found that a double-kink formation is facilitated when a hydrogen atom is located near a dislocation line, however, a kink motion is retarded when a hydrogen atom is behind the kink. (author)

Combined action of taurine and cations of certain metals on post-irradiation survival of SOC cell culture

International Nuclear Information System (INIS)

Yartsev, E.I.; Aldonyasov, V.I.; Yakovlev, V.G.

1975-01-01

Effects of combined application of taurine and metals (potassium, magnesium, calcium and zinc) on the cell level have been studied. It has been found that various concentrations of taurine and potassium and zinc salts increase the survival of irradiated SOC cells up to 40% while addition of magnesium and calcium salts does not affect the taurine effectiveness. The highest effectiveness is obtained when potassium and taurine are added in equimolar amounts to the incubation medium

DAMAGE IN MOLYBDENUM ASSOCIATED WITH NEUTRON IRRADIATION AND SUBSEQUENT POST-IRRADIATION ANNEALING

Energy Technology Data Exchange (ETDEWEB)

Mastel, B.

1963-07-23

Molybdemum containing carbon was studied in an attempt to establish the combined effect of impurity content and neutron irradiation on the properties and structure of specific metals. Molybdenum foils were punched into discs and heat treated in vacuum. They were then slow-cooled and irradiated. After irradiation and subsequent decay of radioactivity to a low level the foils were subjected to x-ray diffraction measurements. Cold-worked foils with less than 10 ppm carbon showed no change in microstructure due to irradiation. Molybdenum foils that were annealed prior to irradiation showed spot defects. In foils containing up to 500 ppm carbon, it was concluded that the small loops present after irradiation are due to the clustering of point defects at interstitial carbon atoms, followed by collapse to form a dislocation loop. The amount of lattice expansion after irradiation was strongly dependent on impurity content. Neutron irradiation was found to reduce the number of active slip systems. (M.C.G.)

Resistance to He{sup 2+} induced irradiation damage in metallic glass Zr{sub 64}Cu{sub 17.8}Ni{sub 10.7}Al{sub 7.5}

Energy Technology Data Exchange (ETDEWEB)

Wang, Bin [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Mei, Xianxiu, E-mail: xxmei@dlut.edu.cn [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Zhang, Hongran; Hou, Wenjing; Wang, Younian [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China); Wang, Zhiguang [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Dong, Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024 (China)

2014-01-15

Graphical abstract: This paper used TEM for the analysis of the microstructure, helium bubble distribution and helium bubble growth process of Zr-based metallic glass after the irradiation at maximum fluence. Fig. a shows the cross-sectional TEM sample morphology image of Zr-based metallic glass. It could be observed that a large number of helium bubbles were distributed on the topmost surface of Zr-based metallic glass (Zone A in Fig.a). The helium bubbles on the surface were mostly round, except for a small number of irregular-shape bubbles, with the sizes ranging from several nanometers to several tens of nanometers. The helium bubble diameter became gradually smaller downwardly from Zone A. As shown in Fig.a, the helium bubble size was small within the range of 0.3–1.2 μm below the surface (Zone B), and a large number of helium bubbles with a diameter of several nanometers were uniformly distributed in the area close to Zone A and Zone C; as shown in Fig.b, a helium bubble layer appeared within the range of 1.2–1.5 μm (Zone C) away from the surface, and it was found that the helium bubble size was larger in the vicinity of 1.3 μm away from the surface. Fig.b shows the atom vacancy distribution curves in Zr-based metallic glass before and after the helium ion irradiation obtained through SRIM program simulation. It could be observed that vacancy concentration peaks appeared at the ion range of 1.2 μm, and a large number of vacancies were concentrated at the end of the range. The vacancies of the sample were very easy to capture helium atoms and were conducive to the formation and growth of helium bubbles. -- Highlights: • Metallic glass could maintain amorphous state at different irradiation fluences. • A damage layer appeared in Zr{sub 64}Cu{sub 17.8}Ni{sub 10.7}Al{sub 7.5} at a fluence of 2 × 10{sup 18} ions/cm{sup 2}. • Peeling and delamination appeared numerously in W at a fluence of 1 × 10{sup 18} ions/cm{sup 2}. • Lots of helium bubbles

Path-integral Monte Carlo study of phonons in the bcc phase of Helium-3

OpenAIRE

Sorkin, V.; Polturak, E.; Adler, Joan

2006-01-01

Using Path Integral Monte Carlo and the Maximum Entropy method, we calculate the dynamic structure factor of solid He-3 in the bcc phase at a finite temperature of T = 1.6 K and a molar volume of 21.5 cm^3. From the single phonon dynamic structure factor, we obtain both the longitudinal and transverse phonon branches along the main crystalline directions, [001], [011] and [111]. Our results are compared with other theoretical predictions and available experimental data.

High Strain Rate and Shock-Induced Deformation in Metals

Science.gov (United States)

Ravelo, Ramon

2012-02-01

Large-scale non-equilibrium molecular Dynamics (MD) simulations are now commonly used to study material deformation at high strain rates (10^9-10^12 s-1). They can provide detailed information-- such as defect morphology, dislocation densities, and temperature and stress profiles, unavailable or hard to measure experimentally. Computational studies of shock-induced plasticity and melting in fcc and bcc single, mono-crystal metals, exhibit generic characteristics: high elastic limits, large directional anisotropies in the yield stress and pre-melting much below the equilibrium melt temperature for shock wave propagation along specific crystallographic directions. These generic features in the response of single crystals subjected to high strain rates of deformation can be explained from the changes in the energy landscape of the uniaxially compressed crystal lattice. For time scales relevant to dynamic shock loading, the directional-dependence of the yield strength in single crystals is shown to be due to the onset of instabilities in elastic-wave propagation velocities. The elastic-plastic transition threshold can accurately be predicted by a wave-propagation stability analysis. These strain-induced instabilities create incipient defect structures, which can be quite different from the ones, which characterize the long-time, asymptotic state of the compressed solid. With increase compression and strain rate, plastic deformation via extended defects gives way to amorphization associated with the loss in shear rigidity along specific deformation paths. The hot amorphous or (super-cooled liquid) metal re-crystallizes at rates, which depend on the temperature difference between the amorphous solid and the equilibrium melt line. This plastic-amorphous transition threshold can be computed from shear-waves stability analyses. Examples from selected fcc and bcc metals will be presented employing semi-empirical potentials of the embedded atom method (EAM) type as well as

Plasticity enhancement mechanisms in refractory metals and intermetallics

International Nuclear Information System (INIS)

Gibala, R.; Chang, H.; Czarnik, C.M.; Edwards, K.M.; Misra, A.

1993-01-01

Plasticity enhancement associated with surface films and precipitates or dispersoids in bcc refractory metals is operative in ordered intermetallic compounds. Some results are given for NiAl and MoSi 2 -based materials. The monotonic and cyclic plasticity of NiAl at room temperature can be enhanced by surface films. Ductile second phases also enhance the plasticity of NiAl. MoSi 2 exhibits similar effects of surface films and dispersoids, but primarily at elevated temperatures. The plasticity enhancement is associated with enhanced dislocation generation from constrained deformation at the film-substrate or precipitate/dispersoid-matrix interface of the composite systems

ELECTROCHEMICAL STUDIES OF URANIUM METAL CORROSION MECHANISM AND KINETICS IN WATER

International Nuclear Information System (INIS)

Boudanova, Natalya; Maslennikov, Alexander; Peretroukhine, Vladimir F.; Delegard, Calvin H.

2006-01-01

During long-term underwater storage of low burn-up uranium metal fuel, a corrosion product sludge forms containing uranium metal grains, uranium dioxide, uranates and, in some cases, uranium peroxide. Literature data on the corrosion of non-irradiated uranium metal and its alloys do not allow unequivocal prediction of the paragenesis of irradiated uranium in water. The goal of the present work conducted under the program 'CORROSION OF IRRADIATED URANIUM ALLOYS FUEL IN WATER' is to study the corrosion of uranium and uranium alloys and the paragenesis of the corrosion products during long-term underwater storage of uranium alloy fuel irradiated at the Hanford Site. The elucidation of the physico-chemical nature of the corrosion of irradiated uranium alloys in comparison with non-irradiated uranium metal and its alloys is one of the most important aspects of this work. Electrochemical methods are being used to study uranium metal corrosion mechanism and kinetics. The present part of work aims to examine and revise, where appropriate, the understanding of uranium metal corrosion mechanism and kinetics in water

An overview on the Bauschinger effect in metallic materials

International Nuclear Information System (INIS)

Wang Yanfeng; Li Cong; Ling Xuyu; Shen Baoluo; Gao Shengji

2002-01-01

The Bauschinger effect in metallic materials including f.c.c. (face-centered cubic) and b.c.c. (body-centered cubic) materials such as pure alloys, casting alloys, copper alloys, aluminium alloys and metal matrix composite materials, and h.c.p. (hexagonal close packed) materials such as zirconium alloys and titanium alloys have been summarized comprehensively. The mechanism of Bauschinger effect is reviewed from the point of dislocation theory and internal stress (or back stress) that is responsible for the effect. Based upon these theories, the methods for calculating internal stress and models for simulating the effect are described briefly, which could explain the effect quantitatively. Finally, the measures to reduce or eliminate the effect have been pointed out, along with the issues to be researched in the future

Anharmonic correlated Debye model high-order expanded interatomic effective potential and Debye-Waller factors of bcc crystals

Energy Technology Data Exchange (ETDEWEB)

Van Hung, Nguyen, E-mail: hungnv@vnu.edu.vn [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Hue, Trinh Thi [Department of Physics, Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi (Viet Nam); Khoa, Ha Dang [School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet, Hanoi (Viet Nam); Vuong, Dinh Quoc [Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh (Viet Nam)

2016-12-15

High-order expanded interatomic effective potential and Debye-Waller factors (DWFs) for local vibrational amplitudes in X-ray absorption fine structure (XAFS) of bcc crystals have been studied based on the anharmonic correlated Debye model. DWFs are presented in terms of cumulant expansion up to the fourth order and the many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contribution approach used in the derivations of the anharmonic effective potential and XAFS cumulants where Morse potential is assumed to describe the single-pair atomic interaction. Analytical expressions for the dispersion relation, correlated Debye frequency and temperature and four first temperature-dependent XAFS cumulants have been derived based on the many-body perturbation approach. Thermodynamic properties and anharmonic effects in XAFS of bcc crystals described by the obtained cumulants have been in detail discussed. The advantage and efficiency of the present theory are illustrated by good agreement of the numerical results for Mo, Fe and W with experiment.

Huang scattering from self-interstitials in electron-irradiated Fe-40 at % Al ordered alloy

International Nuclear Information System (INIS)

Guillot, J.P.; Riviere, J.P.; Beaufort-Richard, M.F.

1983-01-01

A single crystal of Fe-40 at % Al ordered alloy has been irradiated with 2.5 MeV electrons at liquid hydrogen temperature, and diffuse X-ray scattering (MoKα 1 ) near Bragg reflections has been studied after annealing the sample up to 300 K. The characteristic diffuse scattering from point defects with weak displacement fields (Huang diffusion) has been observed near the (200) Bragg reflection in the directions [011] and [100] and near the (110) reflection in the directions [110] and [110]. This Huang scattering has been attributed to self interstitials since under the same irradiations conditions, electrical resistivity measurements indicate that the long range migration of self interstitials by annihilation at vacancies would occur only for temperatures higher than 300 K. The comparison of the experimental results with the different simple intertitial configurations proposed for b.c.c. crystals suggest that the most probable configuration should be the [110] split interstitial with orthorhombic symmetry [fr

Irradiation characteristics of metal-cluster-complex ions containing diverse multi-elements with large mass differences

International Nuclear Information System (INIS)

Fujiwara, Yukio; Kondou, Kouji; Teranishi, Yoshikazu; Nonaka, Hidehiko; Saito, Naoaki; Fujimoto, Toshiyuki; Kurokawa, Akira; Ichimura, Shingo; Tomita, Mitsuhiro

2007-01-01

Tetrairidium dodecacarbonyl, Ir 4 (CO) 12 , is a metal cluster complex which has a molecular weight of 1104.9. Using a metal-cluster-complex ion source, the interaction between Ir 4 (CO) n + ions (n=0-12) and silicon substrates was studied at a beam energy ranging from 2keV to 10keV at normal incidence. By adjusting Wien-filter voltage, the influence of CO ligands was investigated. Experimental results showed that sputtering yield of silicon bombarded with Ir 4 (CO) n + ions at 10keV decreased with the number of CO ligands. In the case of 2keV, deposition tended to be suppressed by removing CO ligands from the impinging cluster ions. The influence of CO ligands was explained by considering changes in surface properties caused by the irradiation of Ir 4 (CO) n + ions. It was also found that the bombardment with Ir 4 (CO) 7 + ions at 2.5keV caused deposition on silicon target

Increase in the temperature of a laser plasma formed by two-frequency UV - IR irradiation of metal targets

International Nuclear Information System (INIS)

Antipov, A A; Grasyuk, Arkadii Z; Efimovskii, S V; Kurbasov, Sergei V; Losev, Leonid L; Soskov, V I

1998-01-01

An experimental investigation was made of a laser plasma formed by successive irradiation of a metal target with 30-ps UV and IR laser pulses. The UV prepulse, of 266 nm wavelength, was of relatively low intensity (∼ 10 12 W cm -2 ), whereas the intensity of an IR pulse, of 10.6 μm wavelength, was considerably higher (∼3 x 10 14 W cm -2 ) and it was delayed by 0 - 6 ns (the optimal delay was 2 ns). Such two-frequency UV - IR irradiation produced a laser plasma with an electron temperature 5 times higher than that of a plasma created by singe-frequency IR pulses of the same (∼3 x 10 14 W cm -2 ) intensity. (interaction of laser radiation with matter. laser plasma)

Atomistic modeling of carbon Cottrell atmospheres in bcc iron

Science.gov (United States)

Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

2013-01-01

Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

Properties of grain boundaries in BCC iron and iron-based alloys

International Nuclear Information System (INIS)

Terentyev, D.; He, Xinfu

2010-01-01

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Properties of grain boundaries in BCC iron and iron-based alloys

Energy Technology Data Exchange (ETDEWEB)

Terentyev, D.; He, Xinfu

2010-08-15

The report contains a summary of work done within the collaboration established between SCK-CEN and CIEA, performed during the internship of Xinfu He (CIAE) in the period of September 2009 to June 2010. In this work, we have carried out an atomistic study addressing the properties of grain boundaries in BCC Fe and Fe-Cr alloys. Throughout this work we report on the structural and cohesive properties of grain boundaries; thermal stability; interaction of grain boundaries with He and diffusivity of He in the core of the grain boundaries; equilibrium segregation of Cr near the grain boundary zone; cleavage fracture of grain boundaries; influence of the Cr precipitates, voids and He bubbles on the structure and strength of grain boundaries.

Neutron irradiation effects of iron alloys and ceramics

International Nuclear Information System (INIS)

Kuramoto, Eiichi; Takenaka, Minoru; Hasegawa, Masayuki.

1991-01-01

Positron annihilation angular correlation measurements have been performed for the neutron irradiated various metals and ceramics in order to obtain the information of the microvoids and positronium formation in them. Positronium (Ps) formation was observed in Nb containing a small amount of oxygen and Fe-15%Cr-16%Ni-0.006%B 10 . In practical steels such as JPCA and JFMS no Ps formation was observed. High temperature deformation might induce microvoids into metals, but the positron annihilation angular correlation measurements could not confirm this. In non-metallic materials neutron irradiated no Ps formation has so far been observed. (author)

Refractory metal particles in refractory inclusions in the Allende meteorite

International Nuclear Information System (INIS)

Fuchs, L.H.; Blander, M.

1980-01-01

An examination of refractory metal particles in five calcium-aluminum-rich inclusions in the Allende meteorite indicates a complex variety of compositions and large departures from equilibrium. These particles appear to have been primordial condensates which were isolated from the nebula and from each other at different times by cocondensing oxides. Selective diffusion and/or oxidation of the more oxidizable metals (Mo, W, Fe and Ni), phase segregations into different alloy phases (fcc, bcc, hcp and perhaps ordered phases) and the formation of metastable condensates appears to have been involved in the modification of these materials to their present state. Only a small fraction of our observations cannot be reconciled with this picture because of a lack of knowledge of some of the phase equilibria which might have bee involved

Growth of a brittle crack (001) in 3D bcc iron crystal with a Cu nano-particle

Czech Academy of Sciences Publication Activity Database

Uhnáková, Alena; Machová, Anna; Hora, Petr; Červená, Olga

2014-01-01

Roč. 83, February (2014), s. 229-234 ISSN 0927-0256 R&D Projects: GA ČR GA101/09/1630 Institutional support: RVO:61388998 Keywords : brittle crack extension * 3D * mode I * bcc iron * Cu nano-particle * molecular dynamics * acoustic emission Subject RIV: JG - Metallurgy Impact factor: 2.131, year: 2014 http://www.sciencedirect.com/science/article/pii/S0927025613006575

SCC, Bowen's disease and BCC arising on chronic radiation dermatitis due to radiation therapy for tinea pedis

International Nuclear Information System (INIS)

Aoki, Eri; Aoki, Mikako; Ikemura, Akiko; Igarashi, Tsukasa; Suzuki, Kayano; Kawana, Seiji

2000-01-01

We reported a case who developed three different types of skin cancers: SCC, BCC, and Bowen's disease, on the chronic radiation dermatitis. He had been treated for his tinea pedis et palmaris with radiotherapy in 1940's. It is very ratre that three different types of skin cancers arise in the same patient. This is a second case reported in Japan. (author)

Calculation simulation of equivalent irradiation swelling for dispersion nuclear fuel

International Nuclear Information System (INIS)

Cai Wei; Zhao Yunmei; Gong Xin; Ding Shurong; Huo Yongzhong

2015-01-01

The dispersion nuclear fuel was regarded as a kind of special particle composites. Assuming that the fuel particles are periodically distributed in the dispersion nuclear fuel meat, the finite element model to calculate its equivalent irradiation swelling was developed with the method of computational micro-mechanics. Considering irradiation swelling in the fuel particles and the irradiation hardening effect in the metal matrix, the stress update algorithms were established respectively for the fuel particles and metal matrix. The corresponding user subroutines were programmed, and the finite element simulation of equivalent irradiation swelling for the fuel meat was performed in Abaqus. The effects of the particle size and volume fraction on the equivalent irradiation swelling were investigated, and the fitting formula of equivalent irradiation swelling was obtained. The results indicate that the main factors to influence equivalent irradiation swelling of the fuel meat are the irradiation swelling and volume fraction of fuel particles. (authors)

Smelting of Scandium by Microwave Irradiation

Directory of Open Access Journals (Sweden)

Satoshi Fujii

2017-09-01

Full Text Available Scandium is being explored as an alloying element for aluminum alloys, which are gaining importance as high-performance lightweight structural alloys in the transportation industry. A few years ago, Sc was also found to be suitable for use in electrical devices. High-Sc-content ScAlN thin films have attracted significant attention because of their strong piezoelectricity. The piezoelectric response of ScAlN suggests that ScAlN thin films formed on a hard substrate would be suitable surface acoustic wave wideband filters for next-generation wireless communication systems. However, it is often difficult to use ScAlN thin films in MEMS devices—including acoustic ones—because of the extremely high price of metallic Sc, given the difficulty associated with smelting it. Here, we propose a novel process for smelting Sc metal by microwave irradiation. Sc metal was able to be obtained successfully from ScF3 through a microwave-irradiation-based carbon reduction reaction. The reaction temperature for this reduction process was approximately 880°C, which is half of that for the conventional smelting process involving reduction with Ca. Thus, the proposed microwave irradiation process has significant potential for use in the smelting of Sc metal.

Pre-melting hcp to bcc Transition in Beryllium: A Study by First-Principles Phonon Quasiparticle Approach

Science.gov (United States)

Zhang, D. B., Sr.

2017-12-01

Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0

Electronic structure of metastable bcc Cu–Cr alloy thin films: Comparison of electron energy-loss spectroscopy and first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Liebscher, C.H.; Freysoldt, C. [Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf (Germany); Dennenwaldt, T. [Institute of Condensed Matter Physics and Interdisciplinary Center for Electron Microscopy, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne (Switzerland); Harzer, T.P.; Dehm, G. [Max-Planck-Institut für Eisenforschung GmbH, 40237 Düsseldorf (Germany)

2017-07-15

Metastable Cu–Cr alloy thin films with nominal thickness of 300 nm and composition of Cu{sub 67}Cr{sub 33} (at%) are obtained by co-evaporation using molecular beam epitaxy. The microstructure, chemical phase separation and electronic structure are investigated by transmission electron microscopy (TEM). The thin film adopts the body-centered cubic crystal structure and consists of columnar grains with ~50 nm diameter. Aberration-corrected scanning TEM in combination with energy dispersive X-ray spectroscopy confirms compositional fluctuations within the grains. Cu- and Cr-rich domains with composition of Cu{sub 85}Cr{sub 15} (at%) and Cu{sub 42}Cr{sub 58} (at%) and domain size of 1–5 nm are observed. The alignment of the interface between the Cu- and Cr-rich domains shows a preference for {110}-type habit plane. The electronic structure of the Cu–Cr thin films is investigated by electron energy loss spectroscopy (EELS) and is contrasted to an fcc-Cu reference sample. The experimental EEL spectra are compared to spectra computed by density functional theory. The main differences between bcc-and fcc-Cu are related to differences in van Hove singularities in the electron density of states. In Cu–Cr solid solutions with bcc crystal structure a single peak after the L{sub 3}-edge, corresponding to a van Hove singularity at the N-point of the first Brillouin zone is observed. Spectra computed for pure bcc-Cu and random Cu–Cr solid solutions with 10 at% Cr confirm the experimental observations. The calculated spectrum for a perfect Cu{sub 50}Cr{sub 50} (at%) random structure shows a shift in the van Hove singularity towards higher energy by developing a Cu–Cr d-band that lies between the delocalized d-bands of Cu and Cr. - Highlights: • Compositional fluctuations on the order of 1–5 nm in Cu- and Cr-rich domains are observed. • EELS determines a single van Hove singularity for bcc Cu–Cr solid solutions. • The electronic structure is dominated by d

Crystallographic phase transitions in actinide metals as a function of pressure

International Nuclear Information System (INIS)

Eriksson, O.; Soederlind, P.; Melsen, J.; Ahuja, R.; Johansson, B.

1993-01-01

We present first-principles calculations of the equilibrium volumes and crystal structures of the light actinides (Th--Pu). The calculated equilibrium volumes for fcc Th, bct Pu, α-U, and β-Np are found to agree reasonably well with the experimental data, and when comparing the total energies of the bcc, fcc, bct, α-U, and β-Np structures we obtain the correct crystal structures for all studied systems. Equilibrium volumes for Th--Pu, using a hypothetical fcc structure, have been calculated; although spin-orbit coupling is included in these calculations, the calculated equilibrium volume of Pu is smaller than for Np, in disagreement with experiment. Moreover, the calculated tetragonal elastic constant, C', is shown to be negative for bcc U, bcc Np, bcc Pu, and fcc Pu. Thus, our zero temperature calculations suggest that the bcc structure is unstable for these elements and that fcc Pu is also unstable. This is in conflict with experiment and we are led to the conclusion that temperature effects must be of crucial importance for stabilizing cubic structures in U, Np, and Pu. Further, as a function of decreasing volume we predict a crystal structure sequence fcc → bct → fcc in Th, a sequence α-U → bct → bcc in U, and a sequence β-Np → bct → bcc in Np. Also, a sequence of transitions in Sc as a function of decreasing volume have been calculated, namely hcp → fcc → ω → β-Np → bcc

Thermal-hydraulic study of fixed bed nuclear reactor (FBNR), in FCC, BCC and pseudo-random configurations of the core through CFD method

International Nuclear Information System (INIS)

Luna, M.; Chavez, I.; Cajas, D.; Santos, R.

2015-01-01

The study of thermal-hydraulic performance of a fixed bed nuclear reactor (FBNR) core and the effect of the porosity was studied by the CFD method with 'SolidWorks' software. The representative sections of three different packed beds arrangements were analyzed: face-centered cubic (FCC), body-centered cubic (BCC), and a pseudo-random, with values of porosity of 0.28, 0.33 and 0.53 respectively. The minimum coolant flow required to avoid the phase change for each one of the configurations was determined. The results show that the heat transfer rate increases when the porosity value decreases, and consequently the minimum coolant flow in each configuration. The results of minimum coolant flow were: 728.51 kg/s for the FCC structure, 372.72 kg/s for the BCC, and 304.96 kg/s for the pseudo-random. Meanwhile, the heat transfer coefficients in each packed bed were 6480 W/m 2 *K, 3718 W/m 2 *K and 3042 W/m 2 *K respectively. Finally the pressure drop was calculated, and the results were 0.588 MPa for FCC configuration, 0.033 MPa for BCC and 0.017 MPa for the pseudo-random one. This means that with a higher porosity, the fluid can circulate easier because there are fewer obstacles to cross, so there are fewer energy losses. (authors)

Coexistence of ductile and brittle fracture in metals

International Nuclear Information System (INIS)

Ohr, S.M.; Chang, S.J.; Park, C.G.; Thomson, R.

1985-01-01

It is well known that semibrittle body-centered cubic (bcc) metals fail at low temperatures by cleavage that is preceded by crack tip deformation. Sinclair and Finnis proposed a mechanism by which crack tip deformation may be combined with brittle crack extension. In this model, edge dislocations are emitted from a crack tip on an inclined plane under pure mode I loading conditions. The authors propose a new mechanism of brittle fracture of semibrittle metals preceded by crack tip deformation by extending the model of Sinclair and Finnis and by incorporating experimental evidence on mixed mode crack propagation observed by transmission electron microscopy (TEM). They have shown experimentally that, even when the orientation of the dislocations in the plastic zone indicated pure mode III crack tip deformation, the crack opening displacement determined from the relative displacement of the crack flanks showed the presence of an additional mode I component. They have also shown that zigzag crack propagation observed in many metals can occur only if mode I cleavage is superimposed to mode II crack tip deformation

3D atomistic simulation of fatigue behavior of a ductile crack in bcc iron loaded in mode II

Czech Academy of Sciences Publication Activity Database

Uhnáková, Alena; Pokluda, J.; Machová, Anna; Hora, Petr

2012-01-01

Roč. 61, AUG 2012 (2012), s. 12-19 ISSN 0927-0256 R&D Projects: GA ČR(CZ) GAP108/10/0698 Institutional research plan: CEZ:AV0Z20760514 Keywords : fatigue * mode II * bcc iron * molecular dynamic simulations Subject RIV: JG - Metallurgy Impact factor: 1.878, year: 2012 http://www.sciencedirect.com/science/article/pii/S0927025612001929

Restitution of Energy Metabolism in Irradiated Rats Considering Curcumin Antioxidant Capacity and Metal Biotransformation

International Nuclear Information System (INIS)

Azab, Kh.Sh.; Nada, A.Sh.

2004-01-01

The primary source of energy in living cells is ATP. Creatine kinase attached to the inner mitochondrial membrane (Mi-CK) is a key enzyme catalyzing the reversible phosphoryl transfer form phosphoryl creatine to ADP. The objective of this study was to evaluate the role of curcumin in minimizing the radiation induced alterations in Mi-CK related to the antioxidant status of mitochondria. Curcumin was supplemented daily to rats (45 mg/kg body weight/day); by gavage, 15 days before whole body exposure to 7 Gy gamma radiation. Experimental investigation performed 1,3,10 days after irradiation reveals that curcumin treatment significantly ameliorated the decrease in the activity of Mi-Ck in brain and heart tissues of irradiated rats. Curcumin was also effective in minimizing the radiation induced increase in lipid peroxidation determined as thiobarbituric acid reactive substances (TBARS). Significant amelioration was observed for the changes in superoxide dismutase (SOD) and catalase activities. Furthermore, the data obtained showed that, the decrease of mitochondrial trace metals (Fe, Zn, Cu, Mg and Mn) was less pronounced. According to the results obtained it was concluded that curcumin maintains the integrity of mitochondrial membrane and Mi-CK activity, and plays a role in cellular energy production

Basal cell carcinoma after radiation therapy

International Nuclear Information System (INIS)

Shimbo, Keisuke; Terashi, Hiroto; Ishida, Yasuhisa; Tahara, Shinya; Osaki, Takeo; Nomura, Tadashi; Ejiri, Hirotaka

2008-01-01

We reported two cases of basal cell carcinoma (BCC) that developed after radiation therapy. A 50-year-old woman, who had received an unknown amount of radiation therapy for the treatment of intracranial germinoma at the age of 22, presented with several tumors around the radiation ulcer. All tumors showed BCC. A 33-year-old woman, who had received an unknown amount of radiation therapy on the head for the treatment of leukemia at the age of 2, presented with a black nodule within the area of irradiation. The tumor showed BCC. We discuss the occurrence of BCC after radiation therapy. (author)

Catalytic activity of γ-irradiated transition metal ions in the decomposition of hydrogen peroxide

International Nuclear Information System (INIS)

Arnikar, H.J.; Kapadi, A.H.; Gohad, A.S.; Bhosale, S.B.

1988-01-01

The catalystic decomposition of hydrogen peroxide by transition metal ions, Fe 2+ , Fe 3+ , Co 2+ and Cu 2+ , adsorbed on neutral α-alumina was studied over the temperature range of 295-313 K. γ-irradiation of the catalysts to a dose of 0.12 MGy enhanced markedly the first order decomposition rate. Negligible in the case of Cu 2+ , the radiation effect increased roughly in the order of the number of unpaired d electrons in these ions: Cu(II), Fe(II), Co(II) and Fe(III). Results are explained on the basis of Kremer's mechanism of electron induced heterogeneous decomposition of H 2 O 2 . The radiation effect is attributed to the initial excess of electrons released from traps in the beginning of the reaction

Computational Modeling of Ablation on an Irradiated Target

Science.gov (United States)

Mehmedagic, Igbal; Thangam, Siva

2017-11-01

Computational modeling of pulsed nanosecond laser interaction with an irradiated metallic target is presented. The model formulation involves ablation of the metallic target irradiated by pulsed high intensity laser at normal atmospheric conditions. Computational findings based on effective representation and prediction of the heat transfer, melting and vaporization of the targeting material as well as plume formation and expansion are presented along with its relevance for the development of protective shields. In this context, the available results for a representative irradiation from 1064 nm laser pulse is used to analyze various ablation mechanisms, variable thermo-physical and optical properties, plume expansion and surface geometry. Funded in part by U. S. Army ARDEC, Picatinny Arsenal, NJ.

The glide of screw dislocations in bcc Fe: Atomistic static and dynamic simulations

International Nuclear Information System (INIS)

Chaussidon, Julien; Fivel, Marc; Rodney, David

2006-01-01

We present atomic-scale simulations of screw dislocation glide in bcc iron. Using two interatomic potentials that, respectively, predict degenerate and non-degenerate core structures, we compute the static 0 K dependence of the screw dislocation Peierls stress on crystal orientation and show strong boundary condition effects related to the generation of non-glide stress components. At finite temperatures we show that, with a non-degenerate core, glide by nucleation/propagation of kink-pairs in a {1 1 0} glide plane is obtained at low temperatures. A transition in the twinning region, towards an average {1 1 2} glide plane, with the formation of debris loops is observed at higher temperatures

Improvement of polyethylene by irradiation in artificial joints

International Nuclear Information System (INIS)

Oonishi, H.; Takayama, Y.

1992-01-01

The decrease in socket thickness of several total hip prostheses was measured on X-ray film. The following prostheses were compared: (1) SOM ''28 mm metal head and an ultra-high-molecular-weight-polyethylene (UHMWPE) socket irradiated with 10 8 rad of γ-radiation'', (2) T-28 ''28 mm metal head and a UHMWPE socket not irradiated'', (3) Bioceram ''28 mm alumina head and UHMWPE not irradiated'' and (4) irradiated Bioceram ''28 mm alumina head and UHMWPE socket irradiated with 10 8 rad of γ-radiation''. The average steady state wear rate of SOM, T-28, Bioceram and irradiated Bioceram were 0.076, 0.247, 0.098 and 0.072 mm/year, respectively. The weight bearing portion of the irradiated socket presented a clearly-outlined and irregular pattern of about 0.1 μm thickness having a smooth ripple surface. The scratch and holding phenomenon characteristic of non-irradiated sockets was not observed at all. In our experimental tests using an IS sliding wear test machine, the wear measured as decrease of thickness was smallest at 10 8 rad, although there was an increase in the coefficient of friction. Our experimental and clinical findings suggest that the best total hip prosthesis at present is one with an alumina head and a UHMWPE socket irradiated with 10 8 rad of γ-radiation. (author)

The anti-mycobacterial activity of the cytochrome bcc inhibitor Q203 can be enhanced by small-molecule inhibition of cytochrome bd.

NARCIS (Netherlands)

Lu, P.; Asseri, A.H.O.; Kremer, Martijn; Maaskant, Janneke; Ummels, Roy; Lill, H.; Bald, D.

2018-01-01

Mycobacterial energy metabolism currently attracts strong attention as new target space for development of anti-tuberculosis drugs. The imidazopyridine Q203 targets the cytochrome bcc complex of the respiratory chain, a key component in energy metabolism. Q203 blocks growth of Mycobacterium

Metastable phases in Zr-Excel alloy and their stability under heavy ion (Kr{sup 2+}) irradiation

Energy Technology Data Exchange (ETDEWEB)

Yu, Hongbing, E-mail: 12hy1@queensu.ca [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada); Zhang, Ken; Yao, Zhongwen [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada); Kirk, Mark A. [Material Science Division Argonne National Laboratory, Argonne, IL, 60439 (United States); Long, Fei; Daymond, Mark R. [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, K7L 3N6 (Canada)

2016-02-15

Zr-Excel alloy (Zr-3.5Sn-0.8Nb-0.8Mo, wt.%) has been proposed as a candidate material of pressure tubes in the CANDU-SCWR design. It is a dual-phase alloy containing primary hcp α-Zr and metastable bcc β-Zr. Metastable hexagonal ω-Zr phase could form in β-Zr as a result of aging during the processing of the tube. A synchrotron X-ray study was employed to study the lattice properties of the metastable phases in as-received Zr-Excel pressure tube material. In situ heavy ion (1 MeV Kr{sup 2+}) irradiations were carried out at 200 °C and 450 °C to emulate the stability of the metastable phase under a reactor environment. Quantitative Chemi-STEM EDS analysis was conducted on both un-irradiated and irradiated samples to investigate alloying element redistribution induced by heavy ion irradiation. It was found that no decomposition of β-Zr was observed under irradiation at both 200 °C and 450 °C. However, ω-Zr particles experienced shape changes and shrinkage associated with enrichment of Fe at the β/ω interface during 200 °C irradiation but not at 450 °C. There is a noticeable increase in the level of Fe in the α matrix after irradiation at both 200 °C and 450 °C. The concentrations of Nb, Mo and Fe are increased in the ω phase but decreased in the β phase at 200 °C. The stability of metastable phases under heavy ion irradiation associated with elemental redistribution is discussed.

Portable instrument that integrates irradiation with fluorescence and reflectance spectroscopies during clinical photodynamic therapy of cutaneous disease

Science.gov (United States)

Cottrell, W. J.; Oseroff, A. R.; Foster, T. H.

2006-06-01

We report a portable clinical instrument for delivering photodynamic therapy (PDT) while performing noninvasive spectroscopic monitoring in vivo. Using an off-surface probe, the instrument delivers the treatment beam to a user-defined field on the skin and performs reflectance and fluorescence spectroscopies at two regions within this field. The instrument is being used to monitor photosensitizer fluorescence photobleaching, fluorescent photoproduct kinetics, blood volume, and hemoglobin oxygen saturation during a pilot clinical trial of 5-aminolevulinic acid-PDT treatment of superficial basal cell carcinoma (BCC). Protoporphyrin IX and photoproduct fluorescence excited by the 633nm PDT treatment laser is collected between 655 and 800nm. During a series of brief treatment interruptions at programable time points, white light reflectance spectra between 475 and 800nm are acquired. Fluorescence spectra are corrected for the effects of absorption and scattering, informed by the reflectance measurements, and then decomposed into known fluorophore contributions in real time using a robust singular value decomposition fitting routine. Reflectance spectra additionally provide information on blood volume and hemoglobin oxygen saturation. Monitoring blood oxygenation and implicit dose metrics such as photosensitizer photobleaching during PDT allows the improved interpretation of clinical results and is helping to guide the treatment protocol for an anticipated low-irradiance PDT clinical trial of BCC.

Removal of Heavy Metal Ions by Using Composite of Cement Kiln Dust/Ethylene Glycol co Acrylic Acid Prepared by y-Irradiation

International Nuclear Information System (INIS)

Sokker, H.H.; Abdel-Rahman, H.A.; Khattab, M.M.; Ismail, M.R.

2010-01-01

Various composites of cement kiln dust (CKD) and poly(ethylene glycol co acrylic acid) using y-irradiation was investigated. The samples were prepared using three percentages of cement kiln dust namely, 20, 50 and 75 by wt % and mixed with an equimolar ratio (1:1) of ethylene glycol and acrylic acid then irradiated at doses; 10,20 and 30 kGy of gamma-irradiation. The results showed that (CKD) and poly(ethylene glycol co acrylic acid) composites were formed only at 30 kGy. In addition, CKD alone has the lowest degree of removal of heavy metal ions compared with the prepared composites. A composite containing 75% cement kiln dust by weight percentage, showed the highest degree of removal of cobalt ions, whereas, a composite of 20% CKD showed the highest degree for cadmium ion removal. While the composite of 75% CKD showed a higher selectivity of cobalt ion than cadmium ion in their mixed solution.

Temperature and irradiance influences on cadmium and zinc uptake and toxicity in a freshwater cyanobacterium, Microcystis aeruginosa

International Nuclear Information System (INIS)

Zeng Jin; Wang Wenxiong

2011-01-01

Highlights: → This study is the first to study the influences of temperature and light irradiance, two critical factors for the occurrence of cyanobacterial blooms, on metal uptake, subcellular distribution, and toxicity in a freshwater cyanobacterium commonly blooming in eutrophic lakes. → With increasing metal exposure, both cellular growth rate and photosynthesis became more sensitive to metal toxicity under elevated irradiance and temperature, primarily as a result of increased uptake and accumulation. → Cd in the metal rich granule faction increased under Cd exposure, suggesting that MRG may partially detoxify Cd in the cyanobacterial cells. → This study implies that temperature and irradiance may influence the chemical cycling of metals during cyanobacterial blooming in eutrophic freshwater ecosystems. - Abstract: Temperature and light irradiance are important factors affecting the occurrence of cyanobacterial blooms. In this study, we examined the influences of different temperatures (15, 24, and 30 ° C ) and irradiances (18, 32, and 55 μmol photons m -2 s -1 ) on the uptake and toxicity of cadmium (Cd) and zinc (Zn) in a freshwater cyanobacterium Microcystis aeruginosa. The subcellular distribution of Cd and Zn was analyzed. Enhanced growth rates were observed for the cyanobacterial cells incubated at higher temperature or irradiance conditions with lower metal concentrations. With increasing ambient Cd or Zn concentrations, both cellular growth rate and photosynthesis were significantly inhibited at elevated irradiance conditions. The observed increase in Cd and Zn toxicity might be attributed to the enhanced metal uptake and accumulation in Microcystis. Based on the intracellular Cd concentration, the 50% inhibition concentration (IC 50 ) values were higher at the higher temperature or irradiance treatment. The subcellular distribution demonstrated that Cd in the metal rich granule (MRG) faction increased with elevated [Cd 2+ ] concentration

Abnormal Strain Rate Sensitivity Driven by a Unit Dislocation-Obstacle Interaction in bcc Fe

Science.gov (United States)

Bai, Zhitong; Fan, Yue

2018-03-01

The interaction between an edge dislocation and a sessile vacancy cluster in bcc Fe is investigated over a wide range of strain rates from 108 down to 103 s-1 , which is enabled by employing an energy landscape-based atomistic modeling algorithm. It is observed that, at low strain rates regime less than 105 s-1 , such interaction leads to a surprising negative strain rate sensitivity behavior because of the different intermediate microstructures emerged under the complex interplays between thermal activation and applied strain rate. Implications of our findings regarding the previously established global diffusion model are also discussed.

Apparatus for irradiating a continuous line metallic strip with electron beams

International Nuclear Information System (INIS)

Matsuda, Shozo; Tanaka, Tadashi; Okamoto, Tadaaki; Ueno, Nagaharu.

1970-01-01

The secondary X-rays from an irradiated object are completely shielded by providing direction-change rollers between applicator rollers and irradiation devices. The substrate strip turns its direction of travel by 90 0 through idle rollers and before it enters a front side applicator roller. After the application of coatings, the strip travels over a roller to turn upwardly, so that the applicator is isolated from the following irradiation enclosure. Next, the irradiated strip changes its direction by 90 0 through a roller to enter a bake side coating applicator. After a direction change through a roller, the strip enters the irradiation enclosure. In this way, the applicators can prevent leakage of secondary X-rays. (Iwakiri, K.)

Structural properties and stability of the bcc and omega phases in the Zr-Nb system. Pt. II. Composition dependence of the lattice parameters

International Nuclear Information System (INIS)

Grad, G.B.; Guillermet, A.F.; Pieres, J.J.; Cuello, G.J.; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires; Universidad Nacional del Comahue

1996-01-01

For pt.I see Guillermet, A.F., J. Nucl. Mater., vol.218, p.236-46, 1995. This paper deals with the composition dependence of the lattice parameters of the bcc and omega phases of the Zr-Nb system. The experimental part of the work comprises neutron scattering experiments on a Zr-10 at.% Nb alloy in the as-quenched state and after successive aging treatments at 773 K. This new information is combined with an extensive review of the available data, and a detailed analysis is performed of the effects of composition and heat-treatment upon the lattice parameters a Ω and c Ω of the omega phase and the lattice-parameter relations between bcc and omega. A striking behaviour is detected in the variation of a Ω with composition in low-Nb alloys. (orig.)

Dislocation Line Tensions in the Noble Metals, the Alkali Metals and beta-Brass

Energy Technology Data Exchange (ETDEWEB)

Pettersson, B; Malen, K

1971-06-15

The line tension for a straight partial dislocation which can produce the necessary slip for a martensitic phase transformation of the bcc-fcc or bcc-hcp type has been calculated in ordered 6-brass and in Li, Na and K. Also the line tension for a Shockley partial dislocation in Cu, Ag and Au has been calculated. Negative line tension is found for certain dislocation directions, and the possible influence of this on the stability of a stacking fault bounded by these partials is discussed

Evolution of anisotropy in bcc Fe distorted by interstitial boron

Science.gov (United States)

Gölden, Dominik; Zhang, Hongbin; Radulov, Iliya; Dirba, Imants; Komissinskiy, Philipp; Hildebrandt, Erwin; Alff, Lambert

2018-01-01

The evolution of magnetic anisotropy in bcc Fe as a function of interstitial boron atoms was investigated in thin films grown by molecular beam epitaxy. The thermodynamic nonequilibrium conditions during film growth allowed one to stabilize an interstitial boron content of about 14 at .% accompanied by lattice tetragonalization. The c /a ratio scaled linearly with the boron content up to a maximum value of 1.05 at 300 °C substrate growth temperature, with a room-temperature magnetization of. In contrast to nitrogen interstitials, the magnetic easy axis remained in-plane with an anisotropy of approximately -5.1 ×106erg /cm3 . Density functional theory calculations using the measured lattice parameters confirm this value and show that boron local ordering indeed favors in-plane magnetization. Given the increased temperature stability of boron interstitials as compared to nitrogen interstitials, this study will help to find possible ways to manipulate boron interstitials into a more favorable local order.

Food irradiation and packaging

International Nuclear Information System (INIS)

Kilcast, David

1988-01-01

This outline review was written for 'Food Manufacture'. It deals with the known effects of irradiation on current packaging materials (glass, cellulosics, organic polymers and metals), and their implications for the effective application of the process. (U.K.)

Contribution to the study of metallic impurities diffusion in a polymer film (KAPTON) under and out of irradiation; Contribution a l`etude de la diffusion d`impuretes metalliques dans un film polymere (KAPTON) sous et hors irradiation

Energy Technology Data Exchange (ETDEWEB)

Marin, N

1995-12-18

The main topic of this work is the diffusion behaviour in the polymer film Kapton, under and out of irradiation, of metallic coatings with different reactivity (copper, nickel, titanium) deposited by sputtering. The analysis of diffusion profiles has been performed by backscattering spectrometry, which, in association with cross-section microscopy, allows to connect the diffusion behaviour to the microscopic structure of the metal/Kapton interface. Generally speaking, the study under thermal annealing shows the importance of peculiarities of commercials polymers. In particular, additional elements they contain are liable to modify their surface characteristics and, as a consequence, diffusion. So, unlike observations in model polyimides, we show that even weakly reactive metals do not diffuse inside the polymer. Besides, there exists an energy threshold of Ar{sup +} used for sputtering, above which copper layers become very stable and so come up to industry`s expectation. The study under irradiation gives evidence for copper diffusion under irradiation, resulting in 15 mn mean radius spherical clusters inside the modified polymer. This fast diffusion is shown to be due to the concomitant effect of nuclear collisions and temperature. This study is also the opportunity to show dramatic radiation-induced effects in Kapton, more particularly a large modification of mechanical and optical properties with the loss of more volatile elements (H, N,O). With regard to methodology, this study shows the strong ambiguity in the RBS spectrum interpretation in the case of lateral non-uniformity, and we propose a model giving access to the statistical distribution of the non-uniform property of the target. (author). 262 refs., 99 figs., 8 appends.

Effect of irradiation decontamination on the qualities of green tea

International Nuclear Information System (INIS)

Zhu Jiating; Liu Chunquan; Yu Gang; Zhao Yongfu; Ji Ping; Jin Jie; Gu Guiqiang

2005-01-01

The purpose of this study was to analyze the effects of irradiation on the main chemical components, such as heavy metal elements, pesticide residues as well as sensory qualities of green tea. The results indicated that irradiation had no significant impact on proteins, tea polyphenols, theine and heavy metal elements, slight differences in the contents of soluble sugar and amino acids. The content of cypermethrin reduced with the increase of irradiation dose. The color, liquor color, flavor and aroma of the tea decoction changed slightly when irradiated at the dose lower than 5 kGy. It was concluded that the optimal doses for the purpose of green team decontamination was at the range of 3-5 kGy according to the analysis of various quality factors. (authors)

Moessbauer study of defects in molybdenum and chromium irradiated with ions

International Nuclear Information System (INIS)

Troyan, V.A.; Bogdanov, V.V.; Ivanyushkin, E.M.; Pen'kov, Yu.P.

1980-01-01

Effects of ion irradiation of monocrystalline molybdenum and polycrystalline chromium with Co-57 impurity were studied by Moessbauer effect. Molybdenum specimens were irradiated by He + ions at accelerators with 40 keV energy. Chromium specimens were irradiated by hydrogen ions with 1.2 MeV energy up to integral 2x10 17 -2x10 19 ion/cm 2 doses. It is shown, that defect introduction into the source matrix by irradiation results in change of gamma-resonance line form and effect value. The observed effects of defect influence on spectrum parameters are discussed. It is concluded, that study of Moessbauer spectra parameters of diluted Co-57 solutions in matrices of different metals permits to determine dynamics of movement of impurity atoms and defects in metals irradiated with ions [ru

Ab initio calculations of mechanical properties of bcc W-Re-Os random alloys: effects of transmutation of W.

Science.gov (United States)

Li, Xiaojie; Schönecker, Stephan; Li, Ruihuan; Li, Xiaoqing; Wang, Yuanyuan; Zhao, Jijun; Johansson, Börje; Vitos, Levente

2016-06-03

To examine the effect of neutron transmutation on tungsten as the first wall material of fusion reactors, the elastic properties of W 1-x-y  Re x  Os y (0  ⩽  x, y  ⩽  6%) random alloys in body centered cubic (bcc) structure are investigated systematically using the all-electron exact muffin-tin orbitals (EMTO) method in combination with the coherent-potential approximation (CPA). The calculated lattice constant and elastic properties of pure W are consistent with available experiments. Both Os and Re additions reduce the lattice constant and increase the bulk modulus of W, with Os having the stronger effect. The polycrystalline shear modulus, Young's modulus and the Debye temperature increase (decrease) with the addition of Re (Os). Except for C 11 , the other elastic parameters including C 12 , C 44 , Cauchy pressure, Poisson ratio, B/G, increase as a function of Re and Os concentration. The variations of the latter three parameters and the trend in the ratio of cleavage energy to shear modulus for the most dominant slip system indicate that the ductility of the alloy enhances with increasing Re and Os content. The calculated elastic anisotropy of bcc W slightly increases with the concentration of both alloying elements. The estimated melting temperatures of the W-Re-Os alloy suggest that Re or Os addition will reduce the melting temperature of pure W solid. The classical Labusch-Nabarro model for solid-solution hardening predicts larger strengthening effects in W 1-y  Os y than in W 1-x  Re x . A strong correlation between C' and the fcc-bcc structural energy difference for W 1-x-y  Re x  Os y is revealed demonstrating that canonical band structure dictates the alloying effect on C'. The structural energy difference is exploited to estimate the alloying effect on the ideal tensile strength in the [0 0 1] direction.

Low temperature irradiation effects on iron boron based amorphous metallic alloys

International Nuclear Information System (INIS)

Audouard, A.

1982-09-01

Three Fe-B amorphous alloys (Fe 80 B 20 , Fe 27 Mo 2 B 20 and Fe 75 B 25 ) and the crystallized Fe 3 B alloy have been irradiated at the temperature of liquid hydrogen. Electron irradiation and irradiation by 10 B fission fragments induce point defects in amorphous alloys. These defects are characterized by an intrinsic resistivity and a formation volume. The threshold energy for the displacement of iron atoms has also been calculated. Irradiation by 235 U fission fragments induces some important structural modifications in the amorphous alloys [fr

Production of pure metals

Science.gov (United States)

Philipp, W. H.; Marsik, S. J.; May, C. E. (Inventor)

1974-01-01

A process for depositing elements by irradiating liquids is reported. Ultra pure elements are precipitated from aqueous solutions or suspensions of compounds. A solution of a salt of a metal to be prepared is irradiated, and the insoluble reaction product settles out. Some chemical compounds may also be prepared in this manner.

Preparation of metallic nanoparticles by irradiation in starch aqueous solution

Energy Technology Data Exchange (ETDEWEB)

Nemţanu, Monica R., E-mail: monica.nemtanu@inflpr.ro; Braşoveanu, Mirela, E-mail: monica.nemtanu@inflpr.ro; Iacob, Nicuşor, E-mail: monica.nemtanu@inflpr.ro [National Institute for Lasers, Plasma and Radiation Physics, Electron Accelerators Laboratory, 409 Atomiştilor St., PO Box MG-36, 077125, Bucharest-Măgurele (Romania)

2014-11-24

Colloidal silver nanoparticles (AgNPs) were synthesized in a single step by electron beam irradiation reduction of silver ions in aqueous solution containing starch. The nanoparticles were characterized by spectrophotocolorimetry and compared with those obtained by chemical (thermal) reduction method. The results showed that the smaller sizes of AgNPs were prepared with higher yields as the irradiation dose increased. The broadening of particle size distribution occurred by increasing of irradiation dose and dose rate. Chromatic parameters such as b* (yellow-blue coordinate), C* (chroma) and ΔE{sub ab} (total color difference) could characterize the nanoparticles with respect of their concentration. Hue angle h{sup o} was correlated to the particle size distribution. Experimental data of the irradiated samples were also subjected to factor analysis using principal component extraction and varimax rotation in order to reveal the relation between dependent variables and independent variables and to reduce their number. The radiation-based method provided silver nanoparticles with higher concentration and narrower size distribution than those produced by chemical reduction method. Therefore, the electron beam irradiation is effective for preparation of silver nanoparticles using starch aqueous solution as dispersion medium.

Vacancy-mediated fcc/bcc phase separation in Fe1 -xNix ultrathin films

Science.gov (United States)

Menteş, T. O.; Stojić, N.; Vescovo, E.; Ablett, J. M.; Niño, M. A.; Locatelli, A.

2016-08-01

The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 ∘C ,Fe0.70Ni0.30 films on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the diffusing species in forming the chemical heterogeneity. The experimentally determined energy barrier of 1.59 ±0.09 eV is identified as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separation process is attributed to vacancy creation without interstitials.

Study of the multiple exchange frequencies in bcc 3He by thermodynamic measurements

International Nuclear Information System (INIS)

Bernier, M.; Suaudeau, E.; Roger, M.

1987-08-01

To study the multiple exchange hamiltonian of solid 3 He we measured the contribution of the spin exchange to the pressure of bcc solid in various magnetic fields (O≤ H≤ 7.5T). Due to the nature of the atomic exchange of a fermion system this contribution is a strong function of the spin polarization. The characteristic frequencies of the exchange hamiltonian are obtained by fitting the pressure measurements with the results of a statistical calculation using a high temperature series expansion of the hamiltonian in a temperature range where both the magnetic effect is significant and the expansion converges (7mK < T < 30mK). We discuss the results obtained for two molar volumes

Study of the embedded atom method of atomistic calculations for metals and alloys: Progress report, March 1, 1987-February 28, 1988

International Nuclear Information System (INIS)

Johnson, R.A.

1987-11-01

The relationships between the physical input and output of the Embedded Atom Method (EAM) used in atomistic calculations for metals and alloys and the model functions and parameters are being investigated. An analytic fcc EAM model has been derived based on short range approximations to the input functions in EAM and has been studied both analytically and numerically for the fcc lattice. This model has been extended to longer ranges and applied to both fcc and hcp metals. The correspondence between models based on density functional theory (EAM), tight binding methods, and effective medium theory has been reported. The reasons for difficulty in applying EAM to bcc metals is under study and a new form of alloy potential which retains general properties of pure metal potentials has been developed. 8 refs

Ab initio modeling of interactions between screw dislocations and interstitial solutes in body-centered cubic transition metals

International Nuclear Information System (INIS)

Luthi, Berengere

2017-01-01

In order to improve our understanding of alloy plasticity, it is important to describe at the atomic scale the dislocation-solute interactions and their effect on the dislocation mobility. This work focuses on the body-centered cubic (BCC) transition metals in presence of interstitial solute atoms, in particular the Fe-C system. Using Density Functional Theory (DFT) calculations, the core structure of the screw dislocation of Burgers vector b=1/2<111> was investigated in iron in presence of boron, carbon, nitrogen and oxygen solute atoms, and in BCC metals from group 5 (V, Nb, Ta) and 6 (Mo, W) in presence of carbon solutes. A core reconstruction is evidenced in iron and group 6 metals, along with a strong attractive dislocation-solute interaction energy: the dislocation goes from easy to hard configuration where the solute atoms are at the center of trigonal prisms along the dislocation line. A different behavior is observed in group 5 metals, for which the most stable configuration for the carbon atom is an octahedral site in the vicinity of the dislocation, without any core reconstruction. This group tendency is linked to the structure of mono-carbides. Consequences of the strongly attractive dislocation-solute interactions in Fe(C) were then investigated. First the equilibrium segregation close to the dislocation core was studied using a mean-field model and Monte Carlo simulations. Over a wide temperature range, from 200 to 700 K, a strong segregation is predicted with every other prismatic site occupied by a carbon atom. Then, the mobility of the dislocation in presence of carbon atoms was investigated by modeling the double-kink mechanism with DFT, in relation with experimental data obtained with transmission electron microscopy. The activation energy obtained for this atomic scale mechanism is in good agreement with experimental values for the dynamic strain aging. (author) [fr

High-dose-rate afterloading intracavitary irradiation and expandable metallic biliary endoprosthesis for malignant biliary obstruction

Energy Technology Data Exchange (ETDEWEB)

Yoshimura, Hitoshi; Ohishi, Hajime; Yoshioka, Tetsuya [Nara Medical Univ., Kashihara (Japan); and others

1989-04-01

A double lumen catheter was developed as an applicator for the remote afterloading system (RALS) of {sup 60}Co for the intracavitary irradiation of an obstructed common bile duct due to gallbladder cancer in 1 case and by cholangiocarcinoma in 7 cases. This was followed by the biliary endoprosthesis with expandable metallic stents to maintain patency. The mean survival period after treatment was not long (14 weeks). However, removal of the external drainage tube was possible in 7 of the 8 cases, and none of the 8 cases showed dislodgement or deformity of the stent, or obstruction of the bile duct in the stent-inserted area. This combination effectively provided palliation, and has considerable potential for malignant biliary obstruction. (author).

Failure of the capsule for coated particles irradiation

International Nuclear Information System (INIS)

Yamaki, Jikei; Nomura, Yasushi; Nagamatsuya, Takaaki; Yamahara, Takeshi; Sakai, Haruyuki

1975-10-01

During operation cycle No. 27 of the JMTR (Japan Material Testing Reactor) on May 20, 1974, leakage of the fission product gas occurred from the capsule 72F-7A, which contained coated particles for the irradiation; the coated particles are for the development of a multi-purpose high temperature gas cooled reactor. The capsule was designed for heat 1600 0 C. Three nickel plates as the heat reflector were sandwiched in between the plates of titanium and zirconium, which were adsorbents for the impurity gases in the cladding tube (Nb-1%Zr). Temperatures of the plates were about 1000 0 C under the irradiation, so one metal diffused into the other metal through interfaces, resulting in the formation of an alloy. Its melting point was lower than those of metals in the capsule. The cladding material Nb-1%Zr was melted by the alloy and finally a pin hole developed through the cladding. The process of failure, design of the capsule, post-irradiation test of the capsule and the failure-reproducing experiment with a mock-up capsule are described. (auth.)

Production of metal particles and clusters

Science.gov (United States)

Mcmanus, S. P.

1982-01-01

The feasibility of producing novel metals or metal clusters in a low gravity environment was studied. The production of coordinately unsaturated metal carbonyls by thermolysis or photolysis of stable metal carbonyls has the potential to generate novel catalysts by this technique. Laser irradiation of available metal carbonyls was investigated. It is found that laser induced decomposition of metal carbonyls is feasible for producing a variety of coordinately unsaturated species. Formation of clustered species does occur but is hampered by weak metal-metal bonds.

Simulation of irradiation hardening of Zircaloy within plate-type dispersion nuclear fuel elements

Science.gov (United States)

Jiang, Yijie; Wang, Qiming; Cui, Yi; Huo, Yongzhong; Ding, Shurong

2011-06-01

Within plate-type dispersion nuclear fuel elements, the metal matrix and cladding attacked continuously by fast neutrons undergo irradiation hardening, which might have remarkable effects upon the mechanical behaviors within fuel elements. In this paper, with the irradiation hardening effect of metal materials mainly considered together with irradiation growth effect of the cladding, the three-dimensional large-deformation constitutive relations for the metal matrix and cladding are developed. The method of virtual temperature increase in the previous studies is further developed to model the irradiation swelling of fuel particles; the method of anisotropic thermal expansion is introduced to model irradiation growth of the cladding; and a method of multi-step-temperature loading is proposed to simulate the coupling features of irradiation-induced swelling of the fuel particles together with irradiation growth of the cladding. Above all, based on the developed relationship between irradiation growth at certain burnup and the loaded virtual temperatures, with considering that certain burnup corresponds to certain fast neutron fluence, the time-dependent constitutive relation due to irradiation hardening effect is replaced by the virtual-temperature-dependent one which is introduced into the commercial software to simulate the irradiation hardening effects of the matrix and cladding. Numerical simulations of the irradiation-induced mechanical behaviors are implemented with the finite element method in consideration of the micro-structure of the fuel meat. The obtained results indicate that when the irradiation hardening effects are introduced into the constitutive relations of the metal matrix and cladding: (1) higher maximum Mises stresses for certain burnup at the matrix exist with the equivalent plastic strains remaining almost the same at lower burnups; (2) the maximum Mises stresses for certain burnup at the cladding are enhanced while the maximum equivalent

Simulation of irradiation hardening of Zircaloy within plate-type dispersion nuclear fuel elements

Energy Technology Data Exchange (ETDEWEB)

Jiang Yijie; Wang Qiming; Cui Yi; Huo Yongzhong [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China); Ding Shurong, E-mail: dsr1971@163.com [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China)

2011-06-15

Within plate-type dispersion nuclear fuel elements, the metal matrix and cladding attacked continuously by fast neutrons undergo irradiation hardening, which might have remarkable effects upon the mechanical behaviors within fuel elements. In this paper, with the irradiation hardening effect of metal materials mainly considered together with irradiation growth effect of the cladding, the three-dimensional large-deformation constitutive relations for the metal matrix and cladding are developed. The method of virtual temperature increase in the previous studies is further developed to model the irradiation swelling of fuel particles; the method of anisotropic thermal expansion is introduced to model irradiation growth of the cladding; and a method of multi-step-temperature loading is proposed to simulate the coupling features of irradiation-induced swelling of the fuel particles together with irradiation growth of the cladding. Above all, based on the developed relationship between irradiation growth at certain burnup and the loaded virtual temperatures, with considering that certain burnup corresponds to certain fast neutron fluence, the time-dependent constitutive relation due to irradiation hardening effect is replaced by the virtual-temperature-dependent one which is introduced into the commercial software to simulate the irradiation hardening effects of the matrix and cladding. Numerical simulations of the irradiation-induced mechanical behaviors are implemented with the finite element method in consideration of the micro-structure of the fuel meat. The obtained results indicate that when the irradiation hardening effects are introduced into the constitutive relations of the metal matrix and cladding: (1) higher maximum Mises stresses for certain burnup at the matrix exist with the equivalent plastic strains remaining almost the same at lower burnups; (2) the maximum Mises stresses for certain burnup at the cladding are enhanced while the maximum equivalent

Designing biocompatible Ti-based metallic glasses for implant applications

International Nuclear Information System (INIS)

Calin, Mariana; Gebert, Annett; Ghinea, Andreea Cosmina; Gostin, Petre Flaviu; Abdi, Somayeh; Mickel, Christine; Eckert, Jürgen

2013-01-01

Ti-based metallic glasses show high potential for implant applications; they overcome in several crucial respects their well-established biocompatible crystalline counterparts, e.g. improved corrosion properties, higher fracture strength and wear resistance, increased elastic strain range and lower Young's modulus. However, some of the elements required for glass formation (e.g. Cu, Ni) are harmful for the human body. We critically reviewed the biological safety and glass forming tendency in Ti of 27 elements. This can be used as a basis for the future designing of novel amorphous Ti-based implant alloys entirely free of harmful additions. In this paper, two first alloys were developed: Ti 75 Zr 10 Si 15 and Ti 60 Nb 15 Zr 10 Si 15 . The overheating temperature of the melt before casting can be used as the controlling parameter to produce fully amorphous materials or bcc-Ti-phase reinforced metallic glass nano-composites. The beneficial effect of Nb addition on the glass-formation and amorphous phase stability was assessed by X-ray diffraction, transmission electron microscopy and differential scanning calorimetry. Crystallization and mechanical behavior of ribbons are influenced by the amount and distribution of the nano-scaled bcc phase existing in the as-cast state. Their electrochemical stability in Ringer's solution at 310 K was found to be significantly better than that of commercial Ti-based biomaterials; no indication for pitting corrosion was recorded. Highlights: ► Link between biocompatibility and glass-forming ability of alloying additions in Ti ► Selection of Ti–Zr–Si and Ti–Zr–Nb–Si glass-forming alloys ► Two novel glassy alloys were developed: Ti 75 Zr 10 Si 15 and Ti 60 Nb 15 Zr 10 Si 15. ► Glass-formation, thermal stability, corrosion and mechanical behavior were studied. ► Assessing the suitability for orthopedic applications.

Simulating the production of free defects in irradiated metals

International Nuclear Information System (INIS)

Heinisch, H.L.

1995-01-01

Under cascade-producing irradiation by high energy neutrons or charged particles, only a small fraction of the initially displaced atoms contribute to the population of free defects that are available to migrate throughout the metal and cause microstructural changes. Although, in principle, computer simulations of free defect production could best be done using molecular dynamics, in practice, the wide ranges of time and distance scales involved can be done only by a combination of atomistic models that employ various levels of approximation. An atomic-scale, multi-model approach has been developed that combines molecular dynamics, binary collision models and stochastic annealing simulation. The annealing simulation is utilized in calibrating binary collision simulations to the results of molecular dynamics calculations, as well as to model the subsequent migration of the defects on more macroscopic time and size scales. The annealing simulation and the method of calibrating the multi-model approach are discussed, and the results of simulations of cascades in copper are presented. The temperature dependence of free defect production following simulated annealing of isolated cascades in copper shows a differential in the fractions of free vacancies and interstitial defects escaping from the cascade above stage V. This differential, a consequence of the direct formation of interstitial clusters in cascades and the relative thermal stability of vacancy and interstitial clusters during subsequent annealing, is the basis for the production bias mechanism of void swelling. (orig.)

Residual stress improvement mechanism on metal material by underwater laser irradiation

International Nuclear Information System (INIS)

Sano, Yuji; Yoda, Masaki; Mukai, Naruhiko; Obata, Minoru; Kanno, Masanori

2000-01-01

Residual stress improvement technology for component surface by underwater pulsed laser irradiation has been developed as a method of preventing stress corrosion cracking (SCC) of core components in nuclear reactors. In order to optimize the laser irradiation conditions based on a complete understanding of the mechanism, the propagation of a shock wave induced by the impulse of laser irradiation and the dynamic response of the irradiated material were analyzed through time-dependent elasto-plastic calculations with a finite element program. The calculated results are compared with the measured results obtained by experiments in which laser pulses with an energy of 200 mJ are focused to a diameter of 0.8 mm on a water-immersed test piece of 20% cold-worked Type 304 austenitic stainless steel to simulate neutron irradiation hardening. A residual compressive stress, which is nearly equivalent to the yield stress of the processed material, remains on the material surface after passage of the shock wave with enough amplitude to induce a permanent strain. Multiple irradiation of laser pulses extends the stress-improved depth to about 1 mm, which would be the limit corresponding to the three-dimensional dispersion effect of the shock wave. (author)

Boron doped bcc-W films: Achieving excellent mechanical properties and tribological performance by regulating substrate bias voltage

Science.gov (United States)

Yang, Lina; Zhang, Kan; Zeng, Yi; Wang, Xin; Du, Suxuan; Tao, Chuanying; Ren, Ping; Cui, Xiaoqiang; Wen, Mao

2017-11-01

Boron doped bcc-W (WBx, x = B/W) films were deposited on Si(100) substrates by magnetron co-sputtering pure W and B targets. Our results reveal that when the absolute value of substrate bias voltage (Vb) increases from floating to 240 V, the value of x monotonously decreases from 0.18 to 0.04, accompanied by a phase transition from a mixture of tetragonal γ-W2B and body-centered cubic α-W(B) phase (-Vb ≤ 60 V) to α-W(B) single phase (-Vb > 60 V). Hardness, depending on Vb, increases first and then drops, where the maximum hardness of 30.8 GPa was obtained at -Vb = 60 V and far higher than pure W and W2B theoretical value. In the mixed phase structure, the grain boundaries strengthening, Hall-Petch effect and solid-solution strengthening induced by B dominate the strengthening mechanism. Astonishingly, the film grown at -Vb = 120 V still possesses twice higher hardness than pure W, wherein unexpectedly low (6.7 at.%) B concentration and only the single α-W(B) phase can be identified. In this case, both Hall-Petch effect and solid-solution strengthening work. Besides, low friction coefficient of ∼0.18 can be obtained for the films with α-W(B) phase, which is competitive to that of reported B-rich transition-metal borides, such as TiB2, CrB and CrB2.

The mechanism of bcc α′ nucleation in single hcp ε laths in the fcc γ → hcp ε → bcc α′ martensitic phase transformation

International Nuclear Information System (INIS)

Yang, Xu-Sheng; Sun, Sheng; Zhang, Tong-Yi

2015-01-01

High Resolution Transmission Electron Microscopy (HRTEM) and Molecular Dynamics (MD) simulations were conducted here to study the plastic deformation induced γ (fcc) → ε (hcp) → α′ (bcc) martensitic transformation in 304 stainless steels for the α′ nucleation from single hcp-ε laths. Results elucidate that the underlying microscopic mechanism for the α′ nucleation from single hcp-ε laths obeys the Bogers–Burgers–Olson–Cohen “3T/8–T/3” model. In particular, the atomic-scale observations clearly show the Kurdyumov–Sachs (K–S) lattice orientation relation (OR) and Pitsch OR at the γ/α′ interfaces, the lattice rotation inside an α′ martensitic inclusion, the transition lattice and the reverse shear-shuffling induced continuous lattice elastic deformation at the diffuse ε/α′ interface, which caters the 3T/8 and T/3 shears and sheds atomic process insight into the mechanism of the martensitic transformation

Microstructure of irradiated materials

International Nuclear Information System (INIS)

Robertson, I.M.

1995-01-01

The focus of the symposium was on the changes produced in the microstructure of metals, ceramics, and semiconductors by irradiation with energetic particles. the symposium brought together those working in the different material systems, which revealed that there are a remarkable number of similarities in the irradiation-produced microstructures in the different classes of materials. Experimental, computational and theoretical contributions were intermixed in all of the sessions. This provided an opportunity for these groups, which should interact, to do so. Separate abstracts were prepared for 58 papers in this book

Study of irradiation effects in non-metallic conductors

International Nuclear Information System (INIS)

Atobe, Kozo; Fukuoka, Noboru; Honda, Makoto; Kondo, Tadashi; Morishima, Kouichi; Okada, Moritami; Nakagawa, Masuo

1998-01-01

The production of point defects induced by reactor and the thermal behavior of defects in sintered AlN and c-BN have been investigated using the optical absorption and electron spin resonance (ESR) methods. The absorption band at 370 nm (AlN) and the structureless absorption over the visible region are observed. These specimens also show ESR signals with g-value 2.007 (AlN), 2.006 (BN), which are probably caused by N vacancies with a trapped electron. In addition to these experiments, the difference of the photoluminescence(PL) lines on neutron irradiated CZ-Si and FZ-Si has been also studied. The models of the defect associated with neutron irradiation are discussed. (author)

Heavy ions amorphous semiconductors irradiation study

International Nuclear Information System (INIS)

Benmalek, M.

1978-01-01

The behavior of amorphous semiconductors (germanium and germanium and arsenic tellurides) under ion bombardment at energies up to 2 MeV was studied. The irradiation induced modifications were followed using electrical parameter changes (resistivity and activation energy) and by means of the transmission electron microscopy observations. The electrical conductivity enhancement of the irradiated samples was interpreted using the late conduction theories in amorphous compounds. In amorphous germanium, Electron Microscopy showed the formations of 'globules', these defects are similar to voids observed in irradiated metals. The displacement cascade theory was used for the interpretation of the irradiation induced defects formation and a coalescence mechanism of growth was pointed out for the vacancy agglomeration [fr

Bending of metal-filled carbon nanotube under electron beam irradiation

Directory of Open Access Journals (Sweden)

Abha Misra

2012-03-01

Full Text Available Electron beam irradiation induced, bending of Iron filled, multiwalled carbon nanotubes is reported. Bending of both the carbon nanotube and the Iron contained within the core was achieved using two approaches with the aid of a high resolution electron microscope (HRTEM. In the first approach, bending of the nanotube structure results in response to the irradiation of a pristine kink defect site, while in the second approach, disordered sites induce bending by focusing the electron beam on the graphite walls. The HRTEM based in situ observations demonstrate the potential for using electron beam irradiation to investigate and manipulate the physical properties of confined nanoscale structures.

Development of irradiation rig in HTTR and dosimetry method. I-I type irradiation equipment

Energy Technology Data Exchange (ETDEWEB)

Shibata, Taiju; Kikuchi, Takayuki [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment; Miyamoto, Satoshi; Ogura, Kazutomo [Japan Atomic Power Co., Tokyo (Japan)

2002-12-01

The High Temperature Engineering Test Reactor (HTTR) is a graphite-moderated, helium gas-cooled test reactor with a maximum power of 30 MW. The HTTR aims not only to establish and upgrade the technological basis for the HTGRs but also to perform the innovative basic research on high temperature engineering with high temperature irradiation fields. It is planned that the HTTR is used to perform various engineering tests such as the safety demonstration test, high temperature test operation and irradiation test with large irradiation fields at high temperatures. This paper describes the design of the I-I type irradiation equipment developed as the first irradiation rig for the HTTR and does the planned dosimetry method at the first irradiation test. It was developed to perform in-pile creep test on a stainless steel with large standard size specimens in the HTTR. It can give great loads on the specimens stably and can control the irradiation temperature precisely. The in-core creep properties on the specimens are measured by newly developed differential transformers and the irradiation condition in the core is monitored by thermocouples and self-powered neutron detectors (SPNDs), continuously. The irradiated neutron fluence is assessed by neutron fluence monitors of small metallic wires after the irradiation. The obtained data at the first irradiation test can strongly be contributed to upgrade the technological basis for the HTGRs, since it is the first direct measurement of the in-core irradiation environments of the HTTR. (author)

Radiation heredity: unusual structural-phase states and metallic crystals properties

International Nuclear Information System (INIS)

Melikhov, V.D.; Skakov, M.K.

1998-01-01

Some experimental results allowing to judge about possibilities of unusual structural phase states formation during use irradiation and high temperature treatment of metallic crystals are considered. During study of pure (99.99 %) and especially pure (99.999 %) aluminium it was established, that after heating of preliminary irradiated samples in reactor, and non-irradiated ones up to temperatures above melting point (660 deg C), but not higher than 820 deg C, and cooling an microstructure and substructure of both irradiated and non-irradiated metals have been essentially distinguished with each other. If first of them had typically polycrystal construction, that second one was monocrystal with good developed initial substructure. Radiation effects have been preserved even in liquid metal if it was not overheated higher critical point, which is determined by phase transition from quasi-liquid state to true liquid one. During study of irradiation and postradiation treatment of structure and properties of intermetallides Fe 3 Al it was revealed, that in initially irradiated regulated alloys the radiation effect is preserving at heating of above 0.85 T melt (that essentially exceed order-disorder transition temperature) (550 deg C) in non-irradiated alloys of prolonged exposure and hardening. At that, irradiated-hardened alloy distinguishing from not hardened one by lattice parameter (on 0.1 %), by configuration of nearest surrounding of iron atoms in elementary cell, by regulating extent of different kind of atoms in lattice knocks. It was revealed, that at fluence (5·10 24 n·m 2 ) an appearance of new phases, distinguishing from matrix by component content. It was shown, that irradiation and post-radiation treatment are methods for creation unusual structural-phase states and attach to metals and alloys new properties

The effects of irradiated chicken manure as feed supplement on the growth and heavy metals content of common carp (cyprinus carpio L.)

International Nuclear Information System (INIS)

Haryoso; L S Andini; S Suwirma; Sinaga, R

1998-01-01

An experiment was conducted to study the use of irradiated chicken manure as feed supplement for common for carp raised in ponds. The three composition A consisted chicken manure, B consisted of shrimp waste mixed with the other materials, composition C was commercial pellet as a control. the feeding with the amount of 3% from total body weight was given to the fishes three time per day. The quality of food measured with the conversion value (amount of feed needed for 1 kg body weight gain) and the quality of water i.e. pH, temperature, and oxygen concentration were also measured. Determination of heavy metal content in fish meat and water were carried out using the atomic absorption spectrometer (AAS). Results of the experiment showed that fed of composition A (irradiated chicken manure) at 10th and 14th weeks had lowest conversion value than the fed composition B (mixed with shrimp waste) and feed of composition C (commercial pellet). The content of heavy metals in all fish meat and water were under permissible limit, except for Fe content in water before and experiment were found 5,92 and 1.92 and 1.01 ppm which higher than permissible limit for fish raised. there were no Salmonella found in the chicken manure. This means that irradiated chicken manure can be used safely as feed supplement for fish and has almost the same effect compared to the commercial feed. the water quality was found suitable for the growth of fish. (author)

Statistical study of defects caused by primary knock-on atoms in fcc Cu and bcc W using molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Warrier, M., E-mail: Manoj.Warrier@gmail.com [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Bhardwaj, U.; Hemani, H. [Computational Analysis Division, BARC, Visakhapatnam, Andhra Pradesh, 530012 (India); Schneider, R. [Computational Science, Ernst-Moritz-Arndt University, D-17489 Greifswald (Germany); Mutzke, A. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany); Valsakumar, M.C. [School for Engineering Sciences and Technology, University of Hyderabad, Gachibowli, Hyderabad, Telangana State, 500046 (India)

2015-12-15

We report on molecular Dynamics (MD) simulations carried out in fcc Cu and bcc W using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code to study (i) the statistical variations in the number of interstitials and vacancies produced by energetic primary knock-on atoms (PKA) (0.1–5 keV) directed in random directions and (ii) the in-cascade cluster size distributions. It is seen that around 60–80 random directions have to be explored for the average number of displaced atoms to become steady in the case of fcc Cu, whereas for bcc W around 50–60 random directions need to be explored. The number of Frenkel pairs produced in the MD simulations are compared with that from the Binary Collision Approximation Monte Carlo (BCA-MC) code SDTRIM-SP and the results from the NRT model. It is seen that a proper choice of the damage energy, i.e. the energy required to create a stable interstitial, is essential for the BCA-MC results to match the MD results. On the computational front it is seen that in-situ processing saves the need to input/output (I/O) atomic position data of several tera-bytes when exploring a large number of random directions and there is no difference in run-time because the extra run-time in processing data is offset by the time saved in I/O. - Highlights: • MD simulations of collision cascades in 200 random directions explored in the energy range of 1–5 keV for fcc Cu and bcc W. • 60–80 random directions must be sampled for the number of displacements produced in a collision cascade to stabilize. • In-cascade clustering of interstitials and vacancies occur. • Direction averaged distribution of interstitials and vacancies around the origin of a PKA is presented. • Comparisons with MD indicate that the recoils produced in BCA-MC simulations be checked for recombination against all vacancies created.

Effect of heat treatments and pre-irradiation on the corrosion at high pressure and temperature of pressure tube Zr-2.5Nb

International Nuclear Information System (INIS)

Olmedo, A.M; Bordoni, R

2006-01-01

becomes evident when observing the oxide/metal interface of the coupons without HT in which oxide strands penetrate deeply into the metal which coincides with the material's βZr phase. These strands are not present in the oxide metal interface of the coupons with HT. In order to analyze the effect of the pre-irradiation (neutron flow) on the behavior to corrosion machined test pieces of the PT extracted from the CNE in autoclave at 300 o C, were oxidized in lithiated degassed water, pH≅ 10, and simultaneously oxidized coupons obtained from the off cuts (non irradiated material) of these pressure tubes. The range of neutron flow (E ≥1MeV) for the irradiated material is 0.69 x10 25 to 10.2 x10 25 n/m 2 . The results of the corrosion kinetics showed a reduction of up to 40% in the speed of corrosion of the irradiated material compared to the non irradiated material and also showed that the reduction in this speed increases with the increased flow and is saturated for flows greater than 1.5x 10 25 n/m2. The analysis of the oxide/metal interfaces of the coupons with and without pre-irradiation showed the presence of strands of oxides in them, which would indicate that the increase in the irradiated material's resistance to corrosion is associated with modifications in the microstructure of the αZr phase in which the flow of rapid neutrons would induce the precipitation of small βNb precipitates with the resulting drop in their Nb content (CW)

Fundamentals of displacement production in irradiated metals

International Nuclear Information System (INIS)

Doran, D.G.

1975-09-01

Radioinduced displacement damage in metals is described. Discussions are included on the displacement event itself, calculation of displacement rates in general, the manner in which different types of radiation interact with metals to produce displacements, the similarities and differences in the types of damage produced, the current status of computer simulations of displacement cascades, experimental evidence regarding cascades, and aspects of correlating damage produced by different types of radiation

Effects of applied strain on nanoscale self-interstitial cluster formation in BCC iron

Energy Technology Data Exchange (ETDEWEB)

Gao, Ning; Setyawan, Wahyu; Kurtz, Richard J.; Wang, Zhiguang

2017-09-01

The effect of applied strains on the configurational evolution of self-interstitial clusters in BCC iron (Fe) is explored with atomistic simulations. A novel cluster configuration is discovered at low temperatures (<600 K), which consists of <110> dumbbells and <111> crowdions in a specific configuration, resulting in an immobile defect. The stability and diffusion of this cluster at higher temperatures is explored. In addition, an anisotropy distribution factor of a particular [hkl] interstitial loop within the family of loops is calculated as a function of strain. The results show that loop anisotropy is governed by the angle between the stress direction and the orientation of the <111> crowdions in the loop, and directly linked to the stress induced preferred nucleation of self-interstitial atoms.

Mechanism of formation of a zone without vacancy pores along a surface under electron irradiation of a metal in the high-volt electron microscope

International Nuclear Information System (INIS)

Golubov, S.I.; Konobeev, Yu.V.; Ryabov, V.A.

1981-01-01

Formation mechanism of zones free of vacancy pores near the vacant surface of a metal preliminary irradiated at a high neutron dose when irradiating with electrons in a high-voltage electron microscope has been suggested. It was assumed to explain experimentally observed values of width and time of such zone formation that interstitial atoms are reflected from foil surface while boundary serves as an ideal sink for the vacancies. The carried out calculation of stationary equations of vacancy and interstitial diffusion with the mentioned boundary condition has shown that determination of a stable zone width is possible only in assumption on a variable in a depth of dislocation density. Theoretical evaluations of a zone width being in good agreement with an experiment and with the results of numerical calculations have been obtained in negligence of recombination of point defects as well as for the case of total reflection of interstitials. Discussed are different mechanisms of weak capture of proper interstitial atoms diffusing to it with the metal surface [ru

Study on the irradiation swelling of U3Si2-Al dispersion fuel

International Nuclear Information System (INIS)

Xing Zhonghu; Ying Shihao

2001-01-01

The dominant modeling mechanisms on irradiation swelling of U 3 Si 2 -Al dispersion fuel are introduced. The core of dispersion fuel is looked to as micro-fuel elements of continuous matrix. The formation processes of gas bubbles in the fuel phase are described through the behavior mechanisms of fission gases. The swelling in the fuel phase causes the interaction between fuel particles and metal matrix, and the metal matrix can restrain the irradiation swelling of fuel particles. The developed code can predict irradiation-swelling values according to the parameters of fuel elements and irradiation conditions, and the predicted values are in agreement with the measured results

Anisotropy of electron work function and reticular compacting of friable faces of metallic crystals

International Nuclear Information System (INIS)

Vladimirov, A.F.

1999-01-01

The review and statistical estimate of experimental data on work functions for BCC-, FCC- and HCP - metals (W, Mo, Ta, Nb, Cr, V, Ni, Y) as well as the earlier developed quantum-mechanical statistical model of double electrical layer formation at metal surface and the calculation of an electron work function dipole constituent serve as a basis for the development of a semi-empirical theory of electron work function anisotropy. A coefficient of reticular compacting of friable crystal faces is introduced and statistically estimated. A coefficient of crystal emission anisotropy is also introduced and estimated both theoretically and empirically. The theory permits calculating work functions for all crystal faces and a volumetric constituent of the work function from the measured value of electron work function for a single face [ru

First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe(110) surface

International Nuclear Information System (INIS)

Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

2010-01-01

Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C 2 H 2 molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C 2 H 2 molecules. The most stable site for C 2 H 2 on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C 2 H 2 molecule, the barrier height energies for the C atom, C 2 -dimer and CH as well as the C 2 H 2 molecule are estimated using the nudged elastic band method. The barrier height energy for C 2 H 2 is 0.71 eV and this indicates that the C 2 H 2 diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C 2 H 2 on Fe. The first step is the dissociation of C 2 H 2 into C 2 H and H, and the second step is that of C 2 H into C 2 and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C 2 H 2 into C 2 H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C 2 H 2 . The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C 2 H 2 which characterizes the beginning of the formation of the graphene.

First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

Science.gov (United States)

Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

2010-09-29

Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.