Publications

Results 51–100 of 109
Skip to search filters

Understanding H isotope adsorption and absorption of Al-alloys using modeling and experiments (LDRD: #165724)

Ward, Donald K.; Zhou, Xiaowang Z.; Karnesky, Richard A.; Kolasinski, Robert K.; Foster, Michael E.; Thurmer, Konrad T.; Chao, Paul C.; Epperly, Ethan N.; Zimmerman, Jonathan A.; Wong, Bryan M.

Current austenitic stainless steel storage reservoirs for hydrogen isotopes (e.g. deuterium and tritium) have performance and operational life-limiting interactions (e.g. embrittlement) with H-isotopes. Aluminum alloys (e.g.AA2219), alternatively, have very low H-isotope solubilities, suggesting high resistance towards aging vulnerabilities. This report summarizes the work performed during the life of the Lab Directed Research and Development in the Nuclear Weapons investment area (165724), and provides invaluable modeling and experimental insights into the interactions of H isotopes with surfaces and bulk AlCu-alloys. The modeling work establishes and builds a multi-scale framework which includes: a density functional theory informed bond-order potential for classical molecular dynamics (MD), and subsequent use of MD simulations to inform defect level dislocation dynamics models. Furthermore, low energy ion scattering and thermal desorption spectroscopy experiments are performed to validate these models and add greater physical understanding to them.

More Details
TYPE SAND Report YEAR 2015
OSTIDOI

A multi-technique analysis of deuterium trapping and near-surface precipitate growth in plasma-exposed tungsten

Journal of Applied Physics

Kolasinski, Robert K.; Shimada, M.; Oya, Y.; Buchenauer, D.A.; Chikada, T.; Cowgill, D.F.; Donovan, D.C.; Friddle, R.W.; Michibayashi, K.; Sato, M.

In this work, we examine how deuterium becomes trapped in plasma-exposed tungsten and forms near-surface platelet-shaped precipitates. How these bubbles nucleate and grow, as well as the amount of deuterium trapped within, is crucial for interpreting the experimental database. Here, we use a combined experimental/theoretical approach to provide further insight into the underlying physics. With the Tritium Plasma Experiment, we exposed a series of ITER-grade tungsten samples to high flux D plasmas (up to 1.5 × 1022m-2s-1) at temperatures ranging between 103 and 554 °C. Retention of deuterium trapped in the bulk, assessed through thermal desorption spectrometry, reached a maximum at 230 °C and diminished rapidly thereafter for T > 300 °C. Post-mortem examination of the surfaces revealed non-uniform growth of bubbles ranging in diameter between 1 and 10 μm over the surface with a clear correlation with grain boundaries. Electron back-scattering diffraction maps over a large area of the surface confirmed this dependence; grains containing bubbles were aligned with a preferred slip vector along the <111> directions. Focused ion beam profiles suggest that these bubbles nucleated as platelets at depths of 200 nm-1 μm beneath the surface and grew as a result of expansion of sub-surface cracks. To estimate the amount of deuterium trapped in these defects relative to other sites within the material, we applied a continuum-scale treatment of hydrogen isotope precipitation. In addition, we propose a straightforward model of near-surface platelet expansion that reproduces bubble sizes consistent with our measurements. For the tungsten microstructure considered here, we find that bubbles would only weakly affect migration of D into the material, perhaps explaining why deep trapping was observed in prior studies with plasma-exposed neutron-irradiated specimens. We foresee no insurmountable issues that would prevent the theoretical framework developed here from being extended to a broader range of systems where precipitation of insoluble gases in ion beam or plasma-exposed metals is of interest.

More Details
TYPE Journal Article YEAR 2015
ScopusOSTIDOI

Analysis of hydrogen adsorption and surface binding configuration on tungsten using direct recoil spectrometry

Journal of Nuclear Materials

Kolasinski, Robert K.; Hammond, K.D.; Whaley, Josh A.; Buchenauer, D.A.; Wirth, B.D.

Abstract In this work, we apply low energy ion beam analysis to examine directly how the adsorbed hydrogen concentration and binding configuration on W(1 0 0) depend on temperature. We exposed the tungsten surface to fluxes of both atomic and molecular H and D. We then probed the H isotopes adsorbed along different crystal directions using 1-2 keV Ne+ ions. At saturation coverage, H occupies two-fold bridge sites on W(1 0 0) at 25°C. The H coverage dramatically changes the behavior of channeled ions, as does reconstruction of the surface W atoms. For the exposure conditions examined here, we find that surface sites remain populated with H until the surface temperature reaches 200°C. After this point, we observe H rapidly desorbing until only a residual concentration remains at 450°C. Development of an efficient atomistic model that accurately reproduces the experimental ion energy spectra and azimuthal variation of recoiled H is underway.

More Details
TYPE Journal Article YEAR 2015
ScopusOSTIDOI

Fundamental hydrogen interactions with beryllium : a magnetic fusion perspective

Kolasinski, Robert K.; Bartelt, Norman C.; Whaley, Josh A.; Felter, Thomas E.; Wampler, William R.

Increasingly, basic models such as density functional theory and molecular dynamics are being used to simulate different aspects of hydrogen recycling from plasma facing materials. These models provide valuable insight into hydrogen diffusion, trapping, and recombination from surfaces, but their validation relies on knowledge of the detailed behavior of hydrogen at an atomic scale. Despite being the first wall material for ITER, basic single crystal beryllium surfaces have been studied only sparsely from an experimental standpoint. In prior cases researchers used electron spectroscopy to examine surface reconstruction or adsorption kinetics during exposure to a hydrogen atmosphere. While valuable, these approaches lack the ability to directly detect the positioning of hydrogen on the surface. Ion beam techniques, such as low energy ion scattering (LEIS) and direct recoil spectroscopy (DRS), are two of the only experimental approaches capable of providing this information. In this study, we applied both LEIS and DRS to examine how hydrogen binds to the Be(0001) surface. Our measurements were performed using an angle-resolved ion energy spectrometer (ARIES) to probe the surface with low energy ions (500 eV - 3 keV He{sup +} and Ne{sup +}). We were able to obtain a 'scattering maps' of the crystal surface, providing insight on how low energy ions are focused along open surface channels. Once we completed a characterization of the clean surface, we dosed the sample with atomic hydrogen using a heated tungsten capillary. A distinct signal associated with adsorbed hydrogen emerged that was consistent with hydrogen residing between atom rows. To aid in the interpretation of the experimental results, we developed a computational model to simulate ion scattering at grazing incidence. For this purpose, we incorporated a simplified surface model into the Kalypso molecular dynamics code. This approach allowed us to understand how the incident ions interacted with the surface hydrogen, providing confirmation of the preferred binding site.

More Details
TYPE SAND Report YEAR 2012
OSTIDOI

Deuterium retention in tungsten at elevated temperatures

Journal of Nuclear Materials

Causey, Rion A.; Cowgill, D.F.; Doerner, R.; Kolasinski, Robert K.; Mills, B.; Morse, D.; Smugeresky, J.E.; Wampler, W.R.; Wampler, William R.; Huber, D.

The tungsten ITER divertor will be operated at temperatures above 1000 K. Most of the laboratory experiments on hydrogen isotope retention in tungsten have been performed at lower temperatures where the hydrogen is retained as both atoms and molecules. At higher temperatures, atomic trapping plays a smaller role. The purpose of this paper is to see if hydrogen is trapped at internal voids at elevated temperatures, and to see if gas-filled cavities can be formed at high fluences. Additionally, this paper examines the effect of helium bubbles and radiation damage on trapping. © 2010 Elsevier B.V. All rights reserved.

More Details
TYPE Conference YEAR 2011
ScopusOSTI

A continuum-scale model of hydrogen precipitate growth in tungsten plasma-facing materials

Journal of Nuclear Materials

Kolasinski, Robert K.; Cowgill, D.F.; Causey, Rion A.

The low solubility of hydrogen in tungsten leads to the growth of near-surface hydrogen precipitates during high-flux plasma exposure, strongly affecting migration and trapping in the material. We have developed a continuum-scale model of precipitate growth that leverages existing techniques for simulating the evolution of 3He gas bubbles in metal tritides. The present approach focuses on bubble growth by dislocation loop punching, assuming a diffusing flux to nucleation sites that arises from ion implantation. The bubble size is dictated by internal hydrogen pressure, the mechanical properties of the material, as well as local stresses. In this article, we investigate the conditions required for bubble growth. Recent focused ion beam (FIB) profiling studies that reveal the sub-surface damage structure provide an experimental database for comparison with the modeling results. © 2010 Elsevier B.V. All rights reserved.

More Details
TYPE Conference YEAR 2011
ScopusOSTI
Results 51–100 of 109
Results 51–100 of 109