Diffusive Barrier and Getter Under Waste Packages VA Reference Design Feature Evaluations

International Nuclear Information System (INIS)

MacNeil, K.

1999-01-01

This technical document evaluates those aspects of the diffusive barrier and getter features which have the potential for enhancing the performance of the Viability Assessment Reference Design and are also directly related to the key attributes for the repository safety strategy of that design. The effects of advection, hydrodynamic dispersion, and diffusion on the radionuclide migration rates through the diffusive barrier were determined through the application of the one-dimensional, advection/dispersion/diffusion equation. The results showed that because advective flow described by the advection-dispersion equation dominates, the diffusive barrier feature alone would not be effective in retarding migration of radiocuclides. However, if the diffusive barrier were combined with one or more features that reduced the potential for advection, then transport of radionuclides would be dominated by diffusion and their migration from the EBS would be impeded. Apatite was chosen as the getter material used for this report. Two getter configurations were developed, Case 1 and Case 2. As in the evaluation of the diffusive barrier, the effects of advection, hydrodynamic dispersion, and diffusion on the migration of radionuclides through the getter are evaluated. However, in addition to these mechanisms, the one-dimensional advection/dispersion/diffusion model is modified to include the effect of sorption on radionuclide migration rates through the sorptive medium (getter). As a result of sorption, the longitudinal dispersion coefficient, and the average linear velocity are effectively reduced by the retardation factor. The retardation factor is a function of the getter material's dry bulk density, sorption coefficient and moisture content. The results of the evaluation showed that a significant delay in breakthrough through the getter can be achieved if the thickness of the getter barrier is increased

Energy barriers for diffusion on heterogeneous stepped metal surfaces: Ag/Cu(110)

International Nuclear Information System (INIS)

Sbiaai, K.; Boughaleb, Y.; Mazroui, M.; Hajjaji, A.; Kara, A.

2013-01-01

In this paper we investigated the diffusion of Ag adatom by computing the energy barriers for many elementary diffusive processes which are likely to happen near to the step edge on Cu (110). The barriers are calculated by means of molecular dynamics simulation by using embedded atom potentials. The proximity to steps alters these barriers considerably, and very different results may be expected. In fact, our numerical calculations show that the diffusion via jump process along step edge is predominant for Ag/Cu(110) and the diffusion over the step occurs sometimes, but only via exchange mechanisms. The adatom diffusion across channels is difficult due to the high value of activation energy required (around 1 eV). Furthermore, we found the Ehrlich–Schwoebel barrier for diffusion around 120 meV in order to descend via exchange process and of the order of 170 meV via hopping mode. This aspect may have a strong influence on the growth character. In general our results suggest that, for our metal system, diffusion mechanism may be important for mass transport across the steps. Implications of these findings are discussed. - Highlights: • Study of adatom diffusion near the step edge • The diffusion along channel is enhanced through jump process. • Arrhenius law is satisfied for a wide range of temperature (310–600 K)

Diffusion barrier performance of novel Ti/TaN double layers for Cu metallization

International Nuclear Information System (INIS)

Zhou, Y.M.; He, M.Z.; Xie, Z.

2014-01-01

Highlights: • Novel Ti/TaN double layers offering good stability as a barrier against Cu metallization have been made achievable by annealing in vacuum. • The Ti/TaN double layers improved the adhesion with Cu thin films and showed good diffusion barrier between Cu and SiO 2 /Si up to the annealing condition. • The failure mechanism of Ti/TaN bi-layer is similar with the Cu/TaN/Si metallization system in which Cu atoms diffuse through the grain boundary of barrier and react with silicon to form Cu 3 Si. - Abstract: Novel Ti/TaN double layers offering good stability as a barrier against Cu metallization have been made achievable by annealing in vacuum better than 1 × 10 −3 Pa. Ti/TaN double layers were formed on SiO 2 /Si substrates by DC magnetron sputtering and then the properties of Cu/Ti/TaN/SiO 2 /Si film stacks were studied. It was found that the Ti/TaN double layers provide good diffusion barrier between Cu and SiO 2 /Si up to 750 °C for 30 min. The XRD, Auger and EDS results show that the Cu–Si compounds like Cu 3 Si were formed by Cu diffusion through Ti/TaN barrier for the 800 °C annealed samples. It seems that the improved diffusion barrier property of Cu/Ti/TaN/SiO 2 /Si stack is due to the diffusion of nitrogen along the grain boundaries in Ti layer, which would decrease the defects in Ti film and block the diffusion path for Cu diffusion with increasing annealing temperature. The failure mechanism of Ti/TaN bi-layer is similar to the Cu/TaN/Si metallization system in which Cu atoms diffuse through the grain boundary of barrier and react with silicon to form Cu 3 Si

Advanced diffusion processes and phenomena

CERN Document Server

Öchsner, Andreas; Belova, Irina

2014-01-01

This topical volume on Advanced Diffusion Processes and Phenomena addresses diffusion in a wider sense of not only mass diffusion but also heat diffusion in fluids and solids. Both diffusion phenomena play an important role in the characterization of engineering materials and corresponding structures. Understanding these different transport phenomena at many levels, from atomistic to macro, has therefore long attracted the attention of many researchers in materials science and engineering and related disciplines. The present topical volume captures a representative cross-section of some of the

Multilayer TiC/TiN diffusion barrier films for copper

International Nuclear Information System (INIS)

Yoganand, S.N.; Raghuveer, M.S.; Jagannadham, K.; Wu, L.; Karoui, A.; Rozgonyi, G.

2002-01-01

TiC/TiN thin films deposited by reactive magnetron sputtering on Si (100) substrates were investigated by transmission electron microscopy for microstructure and by deep level transient spectroscopy (DLTS) for diffusion barrier against copper. TiN thin films deposited on Si substrates at a substrate temperature of 600 deg. C were textured, and TiC thin films deposited at the same temperature were polycrystalline. TiC/TiN multilayer films also showed the same characteristics with the formation of an additional interaction layer. The diffusion barrier characteristics of the TiC/TiN/Si were determined by DLTS and the results showed that the films completely prevented diffusion of copper into Si

A sphingolipid-dependent diffusion barrier confines ER stress to the yeast mother cell

Science.gov (United States)

Clay, Lori; Caudron, Fabrice; Denoth-Lippuner, Annina; Boettcher, Barbara; Buvelot Frei, Stéphanie; Snapp, Erik Lee; Barral, Yves

2014-01-01

In many cell types, lateral diffusion barriers compartmentalize the plasma membrane and, at least in budding yeast, the endoplasmic reticulum (ER). However, the molecular nature of these barriers, their mode of action and their cellular functions are unclear. Here, we show that misfolded proteins of the ER remain confined into the mother compartment of budding yeast cells. Confinement required the formation of a lateral diffusion barrier in the form of a distinct domain of the ER-membrane at the bud neck, in a septin-, Bud1 GTPase- and sphingolipid-dependent manner. The sphingolipids, but not Bud1, also contributed to barrier formation in the outer membrane of the dividing nucleus. Barrier-dependent confinement of ER stress into the mother cell promoted aging. Together, our data clarify the physical nature of lateral diffusion barriers in the ER and establish the role of such barriers in the asymmetric segregation of proteotoxic misfolded proteins during cell division and aging. DOI: http://dx.doi.org/10.7554/eLife.01883.001 PMID:24843009

Sub-barrier capture with quantum diffusion approach

Directory of Open Access Journals (Sweden)

Scheid W.

2011-10-01

Full Text Available With the quantum diffusion approach the behavior of capture cross sections and mean-square angular momenta of captured systems are revealed in the reactions with deformed and spherical nuclei at sub-barrier energies. With decreasing bombarding energy under the barrier the external turning point of the nucleus-nucleus potential leaves the region of short-range nuclear interaction and action of friction. Because of this change of the regime of interaction, an unexpected enhancement of the capture cross section is found at bombarding energies far below the Coulomb barrier. This effect is shown its worth in the dependence of mean-square angular momentum on the bombarding energy. From the comparison of calculated capture cross sections and experimental capture or fusion cross sections the importance of quasifission near the entrance channel is demonstrated for the actinidebased reactions and reactions with medium-heavy nuclei at extreme sub-barrier energies.

Evaluation of Erosion Resistance of Advanced Turbine Thermal Barrier Coatings

Science.gov (United States)

Zhu, Dongming; Kuczmarski, Maria A.; Miller, Robert A.; Cuy, Michael D.

2007-01-01

The erosion resistant turbine thermal barrier coating system is critical to aircraft engine performance and durability. By demonstrating advanced turbine material testing capabilities, we will be able to facilitate the critical turbine coating and subcomponent development and help establish advanced erosion-resistant turbine airfoil thermal barrier coatings design tools. The objective of this work is to determine erosion resistance of advanced thermal barrier coating systems under simulated engine erosion and/or thermal gradient environments, validating advanced turbine airfoil thermal barrier coating systems based on nano-tetragonal phase toughening design approaches.

Where Diffusion of Clean Technologies and Barriers to Innovation Clash: Application to the Global Diffusion of the Electrical Arc Furnace

Directory of Open Access Journals (Sweden)

José Antonio Moya

2017-01-01

Full Text Available This paper analyses the role of barriers preventing the worldwide take-up of a clean technology: the electrical arc furnace. It also identifies which barriers affect a parameter that summarises the combined effect of all of them. The first step, determination of the combined effect of the barriers, is carried out using a novel approach to model the diffusion of innovations. This new approach is composed only by terms that account for the driver of innovations and the parameter that summarises the effect of barriers. The objective quantification of the effect of barriers in the diffusion of innovations opens up new opportunities for designing policies to overcome the barriers identified as the most relevant, for identifying the effect of existing policies, for relating innovation indicators with those barriers or for better incorporating the effect of barriers in bottom-up models that forecast the technological evolution of the economy.

Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

Science.gov (United States)

Lessing, Paul A [Idaho Falls, ID

2008-07-22

An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

Lower-Temperature Invert Design For Diffusion Barrier

International Nuclear Information System (INIS)

Bruce Stanley

2001-01-01

The objective of this analysis is to advance the state of the subsurface facilities design to primarily support the ''Yucca Mountain Science and Engineering Report'' (DOE 2001) and to also support the preparation and revision of System Description Document's Section 2 system descriptions (CRWMS M and O 2001, pp. 9 and 11). The results may also eventually support the License Application (CRWMS M and O 2001, p. 3). The Performance Assessment Department will be the primary user of the information generated and will be used in abstraction modeling for the lower-temperature scenario (CRWMS M and O 200 1, p. 27). This analysis will evaluate the invert relative to the lower- and higher-temperature conditions in accordance with the primary tasks below. Invert design is a major factor in allowing water entering the drift to pass freely and enter the drift floor without surface ponding and in limiting diffusive transport into the host rock. Specific cost effective designs will be conceptualized under the new lower-temperature conditions in this analysis. Interfacing activities and all aspects of Integrated Safety Management and Nuclear Culture principles are included in this work scope by adhering to the respective principles during this design activity and by incorporating safety into the design analysis (CRWMS M and O 2001, p. 8). Primary tasks of this analysis include identifying available design information from existing sources on the invert as a diffusive barrier, developing concepts that reduce the amount steel, and developing other design features that accommodate both lower- and higher-temperature operating modes (CRWMS M and O 2001, p.16)

Advanced manufacturing: Technology diffusion

Energy Technology Data Exchange (ETDEWEB)

Tesar, A.

1995-12-01

In this paper we examine how manufacturing technology diffuses rom the developers of technology across national borders to those who do not have the capability or resources to develop advanced technology on their own. None of the wide variety of technology diffusion mechanisms discussed in this paper are new, yet the opportunities to apply these mechanisms are growing. A dramatic increase in technology diffusion occurred over the last decade. The two major trends which probably drive this increase are a worldwide inclination towards ``freer`` markets and diminishing isolation. Technology is most rapidly diffusing from the US In fact, the US is supplying technology for the rest of the world. The value of the technology supplied by the US more than doubled from 1985 to 1992 (see the Introduction for details). History shows us that technology diffusion is inevitable. It is the rates at which technologies diffuse to other countries which can vary considerably. Manufacturers in these countries are increasingly able to absorb technology. Their manufacturing efficiency is expected to progress as technology becomes increasingly available and utilized.

Dos Hermanas Chicanas: Overcoming Barriers to Professional Advancement

Science.gov (United States)

Prospero, Moises

2007-01-01

Women and ethnic minorities face steep barriers to professional advancement, and those who rise to the executive level typically use a variety of strategies to overcome obstacles in their way. This study first reviewed the literature on barriers to professional advancement for women and ethnic minorities and the strategies that they report using…

Migration mechanisms and diffusion barriers of vacancies in Ga2O3

Science.gov (United States)

Kyrtsos, Alexandros; Matsubara, Masahiko; Bellotti, Enrico

2017-06-01

We employ the nudged elastic band and the dimer methods within the standard density functional theory (DFT) formalism to study the migration of the oxygen and gallium vacancies in the monoclinic structure of β -Ga2O3 . We identify all the first nearest neighbor paths and calculate the migration barriers for the diffusion of the oxygen and gallium vacancies. We also identify the metastable sites of the gallium vacancies which are critical for the diffusion of the gallium atoms. The migration barriers for the diffusion of the gallium vacancies are lower than the migration barriers for oxygen vacancies by 1 eV on average, suggesting that the gallium vacancies are mobile at lower temperatures. Using the calculated migration barriers we estimate the annealing temperature of these defects within the harmonic transition state theory formalism, finding excellent agreement with the observed experimental annealing temperatures. Finally, we suggest the existence of percolation paths which enable the migration of the species without utilizing all the migration paths of the crystal.

The diffusion permeability to water of the rat blood-brain barrier

DEFF Research Database (Denmark)

Bolwig, T G; Lassen, N A

1975-01-01

The diffusion permeability to water of the rat blood-brain-barrier (BBB) was studied. Preliminary data obtained with the Oldendorf tissue uptake method (Oldendorf 1970) in seizure experiments suggested that the transfer from blood to brain of labelled water is diffusion-limited. More definite...... passage increased from 0.26 to 0.67 when the arterial carbon dioxide tension was changed from 15 to 85 mm Hg, a change increasing the cerebral blood flow about sixfold. This finding suggests that water does not pass the blood-brain barrier as freely as lipophilic gases....

CONTRIBUTION OF QUADRATIC RESIDUE DIFFUSERS TO EFFICIENCY OF TILTED PROFILE PARALLEL HIGHWAY NOISE BARRIERS

Directory of Open Access Journals (Sweden)

M. R. Monazzam ، P. Nassiri

2009-10-01

Full Text Available This paper presents the results of an investigation on the acoustic performance of tilted profile parallel barriers with quadratic residue diffuser (QRD tops and faces. A 2D boundary element method (BEM is used to predict the barrier insertion loss. The results of rigid and with absorptive coverage are also calculated for comparisons. Using QRD on the top surface and faces of all tilted profile parallel barrier models introduced here is found to improve the efficiency of barriers compared with rigid equivalent parallel barrier at the examined receiver positions. Applying a QRD with frequency design of 400 Hz on 5 degrees tilted parallel barrier improves the overall performance of its equivalent rigid barrier by 1.8 dB(A. Increase in the treated surfaces with reactive elements shifts the effective performance toward lower frequencies. It is found that by tilting the barriers from 0 to 10 degrees in parallel set up, the degradation effects in parallel barriers is reduced but the absorption effect of fibrous materials and also diffusivity of the quadratic residue diffuser is reduced significantly. In this case all the designed barriers have better performance with 10 degrees tilting in parallel set up. The most economic traffic noise parallel barrier which produces significantly high performance, is achieved by covering the top surface of the barrier closed to the receiver by just a QRD with frequency design of 400 Hz and tilting angle of 10 degrees. The average A-weighted insertion loss in this barrier is predicted to be 16.3 dB (A.

Microstructural characteristics of HIP-bonded monolithic nuclear fuels with a diffusion barrier

Science.gov (United States)

Jue, Jan-Fong; Keiser, Dennis D.; Breckenridge, Cynthia R.; Moore, Glenn A.; Meyer, Mitchell K.

2014-05-01

Due to the limitation of maximum uranium load achievable by dispersion fuel type, the Global Threat Reduction Initiative is developing an advanced monolithic fuel to convert US high-performance research reactors to low-enriched uranium. Hot-isostatic-press (HIP) bonding was the single process down-selected to bond monolithic U-Mo fuel meat to aluminum alloy cladding. A diffusion barrier was applied to the U-Mo fuel meat by roll-bonding process to prevent extensive interaction between fuel meat and aluminum-alloy cladding. Microstructural characterization was performed on fresh fuel plates fabricated at Idaho National Laboratory. Interfaces between the fuel meat, the cladding, and the diffusion barrier, as well as between the U-10Mo fuel meat and the Al-6061 cladding, were characterized by scanning electron microscopy. Preliminary results indicate that the interfaces contain many different phases while decomposition, second phases, and chemical banding were also observed in the fuel meat. The important attributes of the HIP-bonded monolithic fuel are: line. Some of these attributes might be critical to the irradiation performance of monolithic U-10Mo nuclear fuel. There are several issues or concerns that warrant more detailed study, such as precipitation along the cladding-to-cladding bond line, chemical banding, uncovered fuel-zone edge, and the interaction layer between the U-Mo fuel meat and zirconium. Future post-irradiation examination results will focus, among other things, on identifying in-reactor failure mechanisms and, eventually, directing further fresh fuel characterization efforts.

How thin barrier metal can be used to prevent Co diffusion in the modern integrated circuits?

International Nuclear Information System (INIS)

Dixit, Hemant; Konar, Aniruddha; Pandey, Rajan; Ethirajan, Tamilmani

2017-01-01

In modern integrated circuits (ICs), billions of transistors are connected to each other via thin metal layers (e.g. copper, cobalt, etc) known as interconnects. At elevated process temperatures, inter-diffusion of atomic species can occur among these metal layers, causing sub-optimal performance of interconnects, which may lead to the failure of an IC. Thus, typically a thin barrier metal layer is used to prevent the inter-diffusion of atomic species within interconnects. For ICs with sub-10 nm transistors (10 nm technology node), the design rule (thickness scaling) demands the thinnest possible barrier layer. Therefore, here we investigate the critical thickness of a titanium–nitride (TiN) barrier that can prevent the cobalt diffusion using multi-scale modeling and simulations. First, we compute the Co diffusion barrier in crystalline and amorphous TiN with the nudged elastic band method within first-principles density functional theory simulations. Later, using the calculated activation energy barriers, we quantify the Co diffusion length in the TiN metal layer with the help of kinetic Monte Carlo simulations. Such a multi-scale modelling approach yields an exact critical thickness of the metal layer sufficient to prevent the Co diffusion in IC interconnects. We obtain a diffusion length of a maximum of 2 nm for a typical process of thermal annealing at 400 °C for 30 min. Our study thus provides useful physical insights for the Co diffusion in the TiN layer and further quantifies the critical thickness (∼2 nm) to which the metal barrier layer can be thinned down for sub-10 nm ICs. (paper)

How thin barrier metal can be used to prevent Co diffusion in the modern integrated circuits?

Science.gov (United States)

Dixit, Hemant; Konar, Aniruddha; Pandey, Rajan; Ethirajan, Tamilmani

2017-11-01

In modern integrated circuits (ICs), billions of transistors are connected to each other via thin metal layers (e.g. copper, cobalt, etc) known as interconnects. At elevated process temperatures, inter-diffusion of atomic species can occur among these metal layers, causing sub-optimal performance of interconnects, which may lead to the failure of an IC. Thus, typically a thin barrier metal layer is used to prevent the inter-diffusion of atomic species within interconnects. For ICs with sub-10 nm transistors (10 nm technology node), the design rule (thickness scaling) demands the thinnest possible barrier layer. Therefore, here we investigate the critical thickness of a titanium-nitride (TiN) barrier that can prevent the cobalt diffusion using multi-scale modeling and simulations. First, we compute the Co diffusion barrier in crystalline and amorphous TiN with the nudged elastic band method within first-principles density functional theory simulations. Later, using the calculated activation energy barriers, we quantify the Co diffusion length in the TiN metal layer with the help of kinetic Monte Carlo simulations. Such a multi-scale modelling approach yields an exact critical thickness of the metal layer sufficient to prevent the Co diffusion in IC interconnects. We obtain a diffusion length of a maximum of 2 nm for a typical process of thermal annealing at 400 °C for 30 min. Our study thus provides useful physical insights for the Co diffusion in the TiN layer and further quantifies the critical thickness (~2 nm) to which the metal barrier layer can be thinned down for sub-10 nm ICs.

Contribution of diffuser surfaces to efficiency of tilted T shape parallel highway noise barriers

Directory of Open Access Journals (Sweden)

N. Javid Rouzi

2009-04-01

Full Text Available Background and aimsThe paper presents the results of an investigation on the acoustic  performance of tilted profile parallel barriers with quadratic residue diffuser tops and faces.MethodsA2D boundary element method (BEM is used to predict the barrier insertion loss. The results of rigid and with absorptive coverage are also calculated for comparisons. Using QRD on the top surface and faces of all tilted profile parallel barrier models introduced here is found to  improve the efficiency of barriers compared with rigid equivalent parallel barrier at the examined  receiver positions.Results Applying a QRD with frequency design of 400 Hz on 5 degrees tilted parallel barrier  improves the overall performance of its equivalent rigid barrier by 1.8 dB(A. Increase the treated surfaces with reactive elements shifts the effective performance toward lower frequencies. It is  found that by tilting the barriers from 0 to 10 degrees in parallel set up, the degradation effects in  parallel barriers is reduced but the absorption effect of fibrous materials and also diffusivity of thequadratic residue diffuser is reduced significantly. In this case all the designed barriers have better  performance with 10 degrees tilting in parallel set up.ConclusionThe most economic traffic noise parallel barrier, which produces significantly  high performance, is achieved by covering the top surface of the barrier closed to the receiver by  just a QRD with frequency design of 400 Hz and tilting angle of 10 degrees. The average Aweighted  insertion loss in this barrier is predicted to be 16.3 dB (A.

Diffusion barriers for Cu metallisation in Si integrated circuits : deposition and related thin film properties

NARCIS (Netherlands)

van Nieuwkasteele-Bystrova, Svetlana Nikolajevna

2004-01-01

In modern integrated circuits with Cu interconnects a diffusion barrier is used between the dielectric and Cu in order to prevent diffusion of Cu through the dielectrics. The choice of such a barrier requires a material exploration and a study of the material reactivity with both Cu and the

The diffusion bonding of advanced material

International Nuclear Information System (INIS)

Khan, T.I.

2001-01-01

As a joining process diffusion bonding has been used since early periods, and artifacts have been found which date back to 3000 years. However, over the last 20 years this joining process has been rediscovered and research has been carried out to understand the mechanisms of the process, and the application of the technique to advanced materials. This paper will review some of the reasons to why diffusion bonding may be preferred over other more conventional welding processes to join advanced alloy systems. It also describes in brief the different types of bonding processes, namely, solid-state and liquid phase bonding techniques. The paper demonstrates the application of diffusion bonding processes to join a range of dissimilar materials for instance: oxide dispersion strengthened superalloys, titanium to duplex stainless steels and engineering ceramics such as Si/sub 3/N/sub 4/ to metal alloys. The research work highlights the success and limitations of the diffusion bonding process and is based on the experience of the author and his colleagues. (author)

Anisotropic Lithium Insertion Behavior in Silicon Nanowires: Binding Energy, Diffusion Barrier, and Strain Effect

KAUST Repository

Zhang, Qianfan; Cui, Yi; Wang, Enge

2011-01-01

Silicon nanowires (SiNWs) have recently been shown to be promising as high capacity lithium battery anodes. SiNWs can be grown with their long axis along several different crystallographic directions. Due to distinct atomic configuration and electronic structure of SiNWs with different axial orientations, their lithium insertion behavior could be different. This paper focuses on the characteristics of single Li defects, including binding energy, diffusion barriers, and dependence on uniaxial strain in [110], [100], [111], and [112] SiNWs. Our systematic ab initio study suggests that the Si-Li interaction is weaker when the Si-Li bond direction is aligned close to the SiNW long axis. This results in the [110] and [111] SiNWs having the highest and lowest Li binding energy, respectively, and it makes the diffusion barrier along the SiNW axis lower than other pathways. Under external strain, it was found that [110] and [001] SiNWs are the most and least sensitive, respectively. For diffusion along the axial direction, the barrier increases (decreases) under tension (compression). This feature results in a considerable difference in the magnitude of the energy barrier along different diffusion pathways. © 2011 American Chemical Society.

Anisotropic Lithium Insertion Behavior in Silicon Nanowires: Binding Energy, Diffusion Barrier, and Strain Effect

KAUST Repository

Zhang, Qianfan

2011-05-19

Silicon nanowires (SiNWs) have recently been shown to be promising as high capacity lithium battery anodes. SiNWs can be grown with their long axis along several different crystallographic directions. Due to distinct atomic configuration and electronic structure of SiNWs with different axial orientations, their lithium insertion behavior could be different. This paper focuses on the characteristics of single Li defects, including binding energy, diffusion barriers, and dependence on uniaxial strain in [110], [100], [111], and [112] SiNWs. Our systematic ab initio study suggests that the Si-Li interaction is weaker when the Si-Li bond direction is aligned close to the SiNW long axis. This results in the [110] and [111] SiNWs having the highest and lowest Li binding energy, respectively, and it makes the diffusion barrier along the SiNW axis lower than other pathways. Under external strain, it was found that [110] and [001] SiNWs are the most and least sensitive, respectively. For diffusion along the axial direction, the barrier increases (decreases) under tension (compression). This feature results in a considerable difference in the magnitude of the energy barrier along different diffusion pathways. © 2011 American Chemical Society.

Structural stability of diffusion barriers in thermoelectric SbTe: From first-principles calculations to experimental results

International Nuclear Information System (INIS)

Hsu, Hsiao-Hsuan; Cheng, Chun-Hu; Chiou, Shan-Haw; Huang, Chiung-Hui; Liu, Chia-Mei; Lin, Yu-Li; Chao, Wen-Hsuan; Yang, Ping-Hsing; Chang, Chun-Yen; Cheng, Chin-Pao

2014-01-01

Highlights: • The diffusion behavior was originated from high-vapor-pressure Te atom. • Te out-diffusion is main driving force to cause inter-diffusion effect. • Mid-band Ta and TaN with favored ohmic-like contact showed small diffusion tail. • Strong Ta-N bonding and high total energy suppressed interfacial layer formation. -- Abstract: This study involved developing robust diffusion barrier for n-type antimony telluride (SbTe) thermoelectric devices. Compared to conventional Ni barrier, the mid-band metals of Ta and TaN with favored ohmic-like contact exhibited smaller diffusion tail because of structurally stable interface on SbTe, which have been supported by first-principles calculations and demonstrated by experimental results. Furthermore, the TaN barrier has strong ionic Ta–N bonding and a high total energy of −4.7 eV/atom that could effectively suppress the formation of SbTe-compounds interfacial layer

Development of Diffusion barrier coatings and Deposition Technologies for Mitigating Fuel Cladding Chemical Interactions (FCCI)

Energy Technology Data Exchange (ETDEWEB)

Sridharan, Kumar; Allen, Todd; Cole, James

2013-02-27

The goal of this project is to develop diffusion barrier coatings on the inner cladding surface to mitigate fuel-cladding chemical interaction (FCCI). FCCI occurs due to thermal and radiation enhanced inter-diffusion between the cladding and fuel materials, and can have the detrimental effects of reducing the effective cladding wall thickness and lowering the melting points of the fuel and cladding. The research is aimed at the Advanced Burner Reactor (ABR), a sodium-cooled fast reactor, in which higher burn-ups will exacerbate the FCCI problem. This project will study both diffusion barrier coating materials and deposition technologies. Researchers will investigate pure vanadium, zirconium, and titanium metals, along with their respective oxides, on substrates of HT-9, T91, and oxide dispersion-strengthened (ODS) steels; these materials are leading candidates for ABR fuel cladding. To test the efficacy of the coating materials, the research team will perform high-temperature diffusion couple studies using both a prototypic metallic uranium fuel and a surrogate the rare-earth element lanthanum. Ion irradiation experiments will test the stability of the coating and the coating-cladding interface. A critical technological challenge is the ability to deposit uniform coatings on the inner surface of cladding. The team will develop a promising non-line-of-sight approach that uses nanofluids . Recent research has shown the feasibility of this simple yet novel approach to deposit coatings on test flats and inside small sections of claddings. Two approaches will be investigated: 1) modified electrophoretic deposition (MEPD) and 2) boiling nanofluids. The coatings will be evaluated in the as-deposited condition and after sintering.

Barrier capability of Zr-N films with titanium addition against copper diffusion

International Nuclear Information System (INIS)

Wang Ying; Cao Fei; Yang Xiaodong; Ding Minghui

2009-01-01

Zr-Ti-N film prepared by sputtering deposition has been employed as a potential diffusion barrier for Cu metallization. It is thought that the existing states of Ti and Zr in the films are Ti-N and Zr-N phase in Zr-Ti-N films. Material analysis by XRD, XPS and sheet resistance measurement reveal that the failure of Zr-N film is mainly due to the formation of Cu 3 Si precipitates at the Zr-N/Si interface by Cu diffusion through the grain boundaries or local defects of the Zr-N barrier layer into Si substrate. In conjunction with sheet resistance measurement, XRD and XPS analyses, the Cu/Zr-Ti-N/Si contact system has high thermal stability at least up to 700 deg. C. The incorporation of Ti atoms into Zr-N barrier layer was shown to be beneficial in improving the thermal stability of the Cu/barrier/Si contact system.

Efficacy of Tantalum Tungsten Alloys for Diffusion Barrier Applications

Science.gov (United States)

Smathers, D. B.; Aimone, P. R.

2017-12-01

Traditionally either Niobium, Tantalum or a combination of both have been used as diffusion barriers in Nb3Sn Multi-filament wire. Vanadium has also been used successfully but the ultimate RRR of the copper is limited unless an external shell of Niobium is included. Niobium is preferred over Tantalum when alternating current losses are not an issue as the Niobium will react to form Nb3Sn. Pure Tantalum tends to deform irregularly requiring extra starting thickness to ensure good barrier qualities. Our evaluations showed Tantalum lightly alloyed with 3 wt% Tungsten is compatible with the wire drawing process while deforming as well as or better than pure Niobium. Ta3wt%W has been processed as a single barrier and as a distributed barrier to fine dimensions. In addition, the higher modulus and strength of the Tantalum Tungsten alloy improves the overall tensile properties of the wire.

Surface diffusion of long chainlike molecules: The role of memory effects and stiffness on effective diffusion barriers

DEFF Research Database (Denmark)

Hjelt, T.; Vattulainen, Ilpo Tapio

2000-01-01

stiffness. Our primary aim is to consider the role played by chain stiffness and the resulting memory effects in tracer diffusion, and in particular their role in the effective tracer diffusion barrier E-A(T) extracted from the well-known Arrhenius form. We show that the memory effects in tracer diffusion......, for a single diffusing chain, about 20% of E-A(T) arises from temperature variations in the memory effects, while only the remaining part comes from thermally activated chain segment movements. At a finite coverage, the memory contribution in E-A(T) is even larger and is typically about 20%-40%. Further...... of recent experimental work as regards surface diffusion of long DNA molecules on a biological interface. (C) 2000 American Institute of Physics....

A novel method for calculating the energy barriers for carbon diffusion in ferrite under heterogeneous stress

Science.gov (United States)

Tchitchekova, Deyana S.; Morthomas, Julien; Ribeiro, Fabienne; Ducher, Roland; Perez, Michel

2014-07-01

A novel method for accurate and efficient evaluation of the change in energy barriers for carbon diffusion in ferrite under heterogeneous stress is introduced. This method, called Linear Combination of Stress States, is based on the knowledge of the effects of simple stresses (uniaxial or shear) on these diffusion barriers. Then, it is assumed that the change in energy barriers under a complex stress can be expressed as a linear combination of these already known simple stress effects. The modifications of energy barriers by either uniaxial traction/compression and shear stress are determined by means of atomistic simulations with the Climbing Image-Nudge Elastic Band method and are stored as a set of functions. The results of this method are compared to the predictions of anisotropic elasticity theory. It is shown that, linear anisotropic elasticity fails to predict the correct energy barrier variation with stress (especially with shear stress) whereas the proposed method provides correct energy barrier variation for stresses up to ˜3 GPa. This study provides a basis for the development of multiscale models of diffusion under non-uniform stress.

A novel method for calculating the energy barriers for carbon diffusion in ferrite under heterogeneous stress

International Nuclear Information System (INIS)

Tchitchekova, Deyana S.; Morthomas, Julien; Perez, Michel; Ribeiro, Fabienne; Ducher, Roland

2014-01-01

A novel method for accurate and efficient evaluation of the change in energy barriers for carbon diffusion in ferrite under heterogeneous stress is introduced. This method, called Linear Combination of Stress States, is based on the knowledge of the effects of simple stresses (uniaxial or shear) on these diffusion barriers. Then, it is assumed that the change in energy barriers under a complex stress can be expressed as a linear combination of these already known simple stress effects. The modifications of energy barriers by either uniaxial traction/compression and shear stress are determined by means of atomistic simulations with the Climbing Image-Nudge Elastic Band method and are stored as a set of functions. The results of this method are compared to the predictions of anisotropic elasticity theory. It is shown that, linear anisotropic elasticity fails to predict the correct energy barrier variation with stress (especially with shear stress) whereas the proposed method provides correct energy barrier variation for stresses up to ∼3 GPa. This study provides a basis for the development of multiscale models of diffusion under non-uniform stress

A novel method for calculating the energy barriers for carbon diffusion in ferrite under heterogeneous stress

Energy Technology Data Exchange (ETDEWEB)

Tchitchekova, Deyana S. [IRSN, PSN, SEMIA, LPTM, Saint-Paul-Lez-Durance (France); Univ. Lyon, INSA Lyon, MATEIS, UMR CNRS 5510, Villeurbanne (France); Morthomas, Julien; Perez, Michel [Univ. Lyon, INSA Lyon, MATEIS, UMR CNRS 5510, Villeurbanne (France); Ribeiro, Fabienne [IRSN, PSN, SEMIA, LPTM, Saint-Paul-Lez-Durance (France); Ducher, Roland [IRSN, PSN, SAG, LETR, Saint-Paul-Lez-Durance (France)

2014-07-21

A novel method for accurate and efficient evaluation of the change in energy barriers for carbon diffusion in ferrite under heterogeneous stress is introduced. This method, called Linear Combination of Stress States, is based on the knowledge of the effects of simple stresses (uniaxial or shear) on these diffusion barriers. Then, it is assumed that the change in energy barriers under a complex stress can be expressed as a linear combination of these already known simple stress effects. The modifications of energy barriers by either uniaxial traction/compression and shear stress are determined by means of atomistic simulations with the Climbing Image-Nudge Elastic Band method and are stored as a set of functions. The results of this method are compared to the predictions of anisotropic elasticity theory. It is shown that, linear anisotropic elasticity fails to predict the correct energy barrier variation with stress (especially with shear stress) whereas the proposed method provides correct energy barrier variation for stresses up to ∼3 GPa. This study provides a basis for the development of multiscale models of diffusion under non-uniform stress.

Effects of barrier composition and electroplating chemistry on adhesion and voiding in copper/dielectric diffusion barrier films

Energy Technology Data Exchange (ETDEWEB)

Birringer, Ryan P.; Dauskardt, Reinhold H. [Department of Materials Science and Engineering, Stanford University, Durand Building, Stanford, California 94305-4034 (United States); Shaviv, Roey [Novellus Systems Inc., 4000 North First Street, San Jose, California 95134 (United States); Geiss, Roy H.; Read, David T. [National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305 (United States)

2011-08-15

The effects of electroplating chemistry and dielectric diffusion barrier composition on copper voiding and barrier adhesion are reported. Adhesion was quantified using the four-point bend thin film adhesion technique, and voiding in the Cu films was quantified using scanning electron microscopy. A total of 12 different film stacks were investigated, including three different Cu electroplating chemistries and four different barrier materials (SiN, N-doped SiC, O-doped SiC, and dual-layer SiC). Both plating chemistry and barrier composition have a large effect on interface adhesion and voiding in the Cu film. X-ray photoelectron spectroscopy was used to investigate the segregation of Cu electroplating impurities, such as S and Cl, to the Cu/barrier interface. Secondary ion mass spectrometry was used to quantify oxygen content at the Cu/barrier interface in a subset of samples. This interface oxygen content is correlated with measured adhesion values.

Robust TaNx diffusion barrier for Cu-interconnect technology with subnanometer thickness by metal-organic plasma-enhanced atomic layer deposition

International Nuclear Information System (INIS)

Kim, H.; Detavenier, C.; Straten, O. van der; Rossnagel, S.M.; Kellock, A.J.; Park, D.-G.

2005-01-01

TaN x diffusion barriers with good barrier properties at subnanometer thickness were deposited by plasma-enhanced atomic layer deposition (PE-ALD) from pentakis(dimethylamino)Ta. Hydrogen and/or nitrogen plasma was used as reactants to produce TaN x thin films with a different nitrogen content. The film properties including the carbon and oxygen impurity content were affected by the nitrogen flow during the process. The deposited film has nanocrystalline grains with hydrogen-only plasma, while the amorphous structure was obtained for nitrogen plasma. The diffusion barrier properties of deposited TaN films for Cu interconnects have been studied by thermal stress test based on synchrotron x-ray diffraction. The results indicate that the PE-ALD TaN films are good diffusion barriers even at a small thickness as 0.6 nm. Better diffusion barrier properties were obtained for higher nitrogen content. Based on a diffusion kinetics analysis, the nanocrystalline microstructure of the films was responsible for the better diffusion barrier properties compared to polycrystalline PE-ALD TaN films deposited from TaCl 5

Diffusion chamber system for testing of collagen-based cell migration barriers for separation of ligament enthesis zones in tissue-engineered ACL constructs.

Science.gov (United States)

Hahner, J; Hoyer, M; Hillig, S; Schulze-Tanzil, G; Meyer, M; Schröpfer, M; Lohan, A; Garbe, L-A; Heinrich, G; Breier, A

2015-01-01

A temporary barrier separating scaffold zones seeded with different cell types prevents faster growing cells from overgrowing co-cultured cells within the same construct. This barrier should allow sufficient nutrient diffusion through the scaffold. The aim of this study was to test the effect of two variants of collagen-based barriers on macromolecule diffusion, viability, and the spreading efficiency of primary ligament cells on embroidered scaffolds. Two collagen barriers, a thread consisting of a twisted film tape and a sponge, were integrated into embroidered poly(lactic-co-caprolactone) and polypropylene scaffolds, which had the dimension of lapine anterior cruciate ligaments (ACL). A diffusion chamber system was designed and established to monitor nutrient diffusion using fluorescein isothiocyanate-labeled dextran of different molecular weights (20, 40, 150, 500 kDa). Vitality of primary lapine ACL cells was tested at days 7 and 14 after seeding using fluorescein diacetate and ethidium bromide staining. Cell spreading on the scaffold surface was measured using histomorphometry. Nuclei staining of the cross-sectioned scaffolds revealed the penetration of ligament cells through both barrier types. The diffusion chamber was suitable to characterize the diffusivity of dextran molecules through embroidered scaffolds with or without integrated collagen barriers. The diffusion coefficients were generally significantly lower in scaffolds with barriers compared to those without barriers. No significant differences between diffusion coefficients of both barrier types were detected. Both barriers were cyto-compatible and prevented most of the ACL cells from crossing the barrier, whereby the collagen thread was easier to handle and allowed a higher rate of cell spreading.

A heating and diffusion barrier based on TaSiN x for miniaturized IC devices

International Nuclear Information System (INIS)

Cheng, H.-Y.; Chen, Y.-C.; Lee, C.-M.; Wang, S.-H.; Chin, T.-S.

2006-01-01

Highly resistive TaSiN x films investigated as candidates for heating and diffusion-barrier layers for miniaturized IC devices such as a sensor or a phases-change random access memory (PCRAM). The obtained resistivity, between 0.069-1.21 Ω cm, increases with increasing nitrogen content up to 52.83%, and fulfills the requirements as a suitable heating layer. All the as-deposited films were amorphous, and the films with substantial nitrogen content showed excellent thermal stability The amorphous structure had a very smooth surface which was stable at temperatures up to 800 deg. C. In addition to its heating capability, the amorphous structure with no grain boundaries was found to also act as a good diffusion barrier effect in contact with a tungsten electrode as determined by AES an TEM analysis. The barrier effect was evaluated by an annealing at 500 and 600 deg. C in Ar atmosphere for 30 min, respectively. The highly resistive TaSiN x heating layer successfully obstructed the diffusion of tungsten atoms from the W electrodes even when the layer was only 10 nm thick. With increasing N content, the heating and diffusion-barrier layer for PCRAM was proposed as a typical example of many potential applications

The role of oxygen in the deposition of copper–calcium thin film as diffusion barrier for copper metallization

Energy Technology Data Exchange (ETDEWEB)

Yu, Zhinong, E-mail: znyu@bit.edu.cn [School of Optoelectronics and Beijing Engineering Research Center of Mixed Reality and Advanced Display, Beijing Institute of Technology, Beijing 100081 (China); Ren, Ruihuang [School of Optoelectronics and Beijing Engineering Research Center of Mixed Reality and Advanced Display, Beijing Institute of Technology, Beijing 100081 (China); Xue, Jianshe; Yao, Qi; Li, Zhengliang; Hui, Guanbao [Beijing BOE Optoelectronics Technology Co., Ltd, Beijing 100176 (China); Xue, Wei [School of Optoelectronics and Beijing Engineering Research Center of Mixed Reality and Advanced Display, Beijing Institute of Technology, Beijing 100081 (China)

2015-02-15

Highlights: • The CuCa film as the diffusion barrier of Cu film improves the adhesion of Cu film. • The introduction of oxygen into the deposition of CuCa film is necessary to improve the adhesion of Cu film. • The CuCa alloy barrier layer deposited at oxygen atmosphere has perfect anti-diffusion between Cu film and substrate. - Abstract: The properties of copper (Cu) metallization based on copper–calcium (CuCa) diffusion barrier as a function of oxygen flux in the CuCa film deposition were investigated in view of adhesion, diffusion and electronic properties. The CuCa film as the diffusion barrier of Cu film improves the adhesion of Cu film, however, and increases the resistance of Cu film. The introduction of oxygen into the deposition of CuCa film induces the improvement of adhesion and crystallinity of Cu film, but produces a slight increase of resistance. The increased resistance results from the partial oxidation of Cu film. The annealing process in vacuum further improves the adhesion, crystallinity and conductivity of Cu film. X-ray diffraction (XRD) and Auger electron spectroscopy (AES) show that the CuCa alloy barrier layer deposited at oxygen atmosphere has perfect anti-diffusion between Cu film and substrate due to the formation of Ca oxide in the interface of CuCa/substrate.

Diffusion barrier performances of thin Mo, Mo-N and Mo/Mo-N films between Cu and Si

International Nuclear Information System (INIS)

Song Shuangxi; Liu Yuzhang; Mao Dali; Ling Huiqin; Li Ming

2005-01-01

In this work, we have studied the diffusion barrier performances of Mo, Mo-N and Mo/Mo-N metallization layers deposited by sputtering Mo in Ar/N 2 atmospheres, respectively. Samples were subsequently annealed at different temperatures ranging from 400 to 800 deg C in vacuum condition. The film properties and their suitability as diffusion barriers and protective coatings in silicon devices were characterized using four-point probe measurement, X-ray diffractometry, scanning electron microscopy, Auger electron spectroscopy and transmission electron microscopy analyses. Experimental results revealed that the Mo (20 nm)/Mo-N (30 nm) layer was able to prevent the diffusion reaction between Cu and Si substrate after being annealed at 600 deg C for 30 min. The adhesion between layers and the content of N atoms are the key parameters to improve the properties of Mo-based barrier materials. The Mo layer interposed between Cu and Mo-N diluted the high nitrogen concentration of the barrier and so enhanced the barrier performances

Phase characterization of Re-based diffusion barrier layer on Nb substrate

International Nuclear Information System (INIS)

Sugiarti, Eni; Wang, Youngmin; Hashimoto, Naoyuki; Ohnuki, Somei; Narita, Toshio

2011-01-01

An electron microscopy phase characterization was carried out for a Re-based diffusion barrier layer, which was deposited on the Nb substrate used as an ultra high temperature material. The coating process produced three layers; an outer Cr(Re) layer, an intermediate Cr-Nb-Re layer, and an inner Nb(Re) layer. The Cr-Nb-Re layer is considered to act as a diffusion barrier layer between the substrate and the outer Cr(Re) reservoir layer. The Cr(Re) and Nb(Re) layers are in single phase with a similar bcc structures, but they are different in structure from the intermediate layer, which is composed of a dual phase of Re 63 Cr 20 Nb 17 with a cubic structure and Nb 42 Re 33 Cr 25 with a hexagonal structure determined by transmission electron microscopy (TEM) in this study. (author)

Glial diffusion barriers during aging and pathological states

Czech Academy of Sciences Publication Activity Database

Syková, Eva

2001-01-01

Roč. 132, - (2001), s. 339-363 ISSN 0079-6123 R&D Projects: GA MŠk VS96130; GA ČR GV307/96/K226; GA ČR GV309/97/K048; GA ČR GA309/99/0657; GA ČR GA305/99/0655; GA ČR GA309/00/1430 Institutional research plan: CEZ:AV0Z5039906 Keywords : diffusion barriers volume transmission Subject RIV: FH - Neurology Impact factor: 1.409, year: 2001

A Septin-Dependent Diffusion Barrier at Dendritic Spine Necks.

Directory of Open Access Journals (Sweden)

Helge Ewers

Full Text Available Excitatory glutamatergic synapses at dendritic spines exchange and modulate their receptor content via lateral membrane diffusion. Several studies have shown that the thin spine neck impedes the access of membrane and solute molecules to the spine head. However, it is unclear whether the spine neck geometry alone restricts access to dendritic spines or if a physical barrier to the diffusion of molecules exists. Here, we investigated whether a complex of septin cytoskeletal GTPases localized at the base of the spine neck regulates diffusion across the spine neck. We found that, during development, a marker of the septin complex, Septin7 (Sept7, becomes localized to the spine neck where it forms a stable structure underneath the plasma membrane. We show that diffusion of receptors and bulk membrane, but not cytoplasmic proteins, is slower in spines bearing Sept7 at their neck. Finally, when Sept7 expression was suppressed by RNA interference, membrane molecules explored larger membrane areas. Our findings indicate that Sept7 regulates membrane protein access to spines.

High-Performance Ink-Synthesized Cu-Gate Thin-Film Transistor with Diffusion Barrier Formation

Science.gov (United States)

Woo, Whang Je; Nam, Taewook; Oh, Il-Kwon; Maeng, Wanjoo; Kim, Hyungjun

2018-05-01

The improved electrical properties of Cu-gate thin-film transistors (TFTs) using an ink-synthesizing process were studied; this technology enables a low-cost and large area process for the display industry. We investigated the film properties and the effects of the ink-synthesized Cu layer in detail with respect to device characteristics. The mobility and reliability of the devices were significantly improved by applying a diffusion barrier at the interface between the Cu gate and the gate insulator. By using a TaN diffusion barrier layer, considerably improved and stabilized ink-Cu gated TFTs could be realized, comparable to sputtered-Cu gated TFTs under positive bias temperature stress measurements.

High-Performance Ink-Synthesized Cu-Gate Thin-Film Transistor with Diffusion Barrier Formation

Science.gov (United States)

Woo, Whang Je; Nam, Taewook; Oh, Il-Kwon; Maeng, Wanjoo; Kim, Hyungjun

2018-02-01

The improved electrical properties of Cu-gate thin-film transistors (TFTs) using an ink-synthesizing process were studied; this technology enables a low-cost and large area process for the display industry. We investigated the film properties and the effects of the ink-synthesized Cu layer in detail with respect to device characteristics. The mobility and reliability of the devices were significantly improved by applying a diffusion barrier at the interface between the Cu gate and the gate insulator. By using a TaN diffusion barrier layer, considerably improved and stabilized ink-Cu gated TFTs could be realized, comparable to sputtered-Cu gated TFTs under positive bias temperature stress measurements.

Evaluation of diffusion barrier and electrical properties of tantalum oxynitride thin films for silver metallization

International Nuclear Information System (INIS)

Misra, E.; Wang, Y.; Theodore, N.D.; Alford, T.L.

2004-01-01

The thermal stability and the diffusion barrier properties of DC reactively sputtered tantalum oxynitride (Ta-O-N) thin films, between silver (Ag) and silicon (Si) p + n diodes were investigated. Both materials characterization (X-ray diffraction analysis, Rutherford backscattering spectrometry (RBS), Auger depth profiling) and electrical measurements (reverse-biased junction leakage current-density) were used to evaluate diffusion barrier properties of the thin films. The leakage current density of p + n diodes with the barrier (Ta-O-N) was approximately four orders of magnitude lower than those without barriers after a 30 min, 400 deg. C back contact anneal. The Ta-O-N barriers were stable up to 500 deg. C, 30 min anneals. However, this was not the case for the 600 deg. C anneal. RBS spectra and cross-sectional transmission electron microscopy of as-deposited and vacuum annealed samples of Ag/barrier (Ta-O-N)/Si indicate the absence of any interfacial interaction between the barrier and substrate (silicon). The failure of the Ta-O-N barriers has been attributed to thermally induced stresses, which cause the thin film to crack at elevated temperatures

Valence and atomic size dependent exchange barriers in vacancy-mediated dopant diffusion

International Nuclear Information System (INIS)

Nelson, J.S.; Schultz, P.A.; Wright, A.F.

1998-01-01

First-principles pseudopotential calculations of dopant-vacancy exchange barriers indicate a strong dependency on dopant valence and atomic size, in contrast to current models of vacancy-mediated dopant diffusion. First-row elements (B, C, N) are found to have exchange barriers which are an order of magnitude larger than the assumed value of 0.3 eV (the Si vacancy migration energy). copyright 1998 American Institute of Physics

Electroless deposition of NiCrB diffusion barrier layer film for ULSI-Cu metallization

Energy Technology Data Exchange (ETDEWEB)

Wang, Yuechun [School of Materials Science and Engineering, Yunnan University, Kunming (China); Chen, Xiuhua, E-mail: chenxh@ynu.edu.cn [School of Materials Science and Engineering, Yunnan University, Kunming (China); Ma, Wenhui [National Engineering Laboratory of Vacuum Metallurgy, Kunming University of Science and Technology, Kunming (China); Shang, Yudong; Lei, Zhengtao; Xiang, Fuwei [School of Materials Science and Engineering, Yunnan University, Kunming (China)

2017-02-28

Highlights: • In this paper, the electroless deposited NiCrB thin film was mainly in the form of NiB, CrB{sub 2} compounds and elementary Ni. • The sheet resistance of NiCrB thin film was 3.043 Ω/□, it is smaller than that of the widely used Ta, TaN and TiN diffusion barrier layers. • Annealing experiments showed that the failure temperature of NiCrB thin film regarding Cu diffusion was 900 °C. • NiCrB barrier layer crystallized after 900 °C annealing, Cu grains arrived at Si-substrate through grain boundaries, resulting in the formation of Cu{sub 3}Si. • Eelectroless deposited NiCrB film also had good oxidation resistance, it is expected to become an anti-oxidant layer of copper interconnection. - Abstract: NiCrB films were deposited on Si substrates using electroless deposition as a diffusion barrier layer for Cu interconnections. Samples of the prepared NiCrB/SiO{sub 2}/Si and NiCrB/Cu/NiCrB/SiO{sub 2}/Si were annealed at temperatures ranging from 500 °C to 900 °C. The reaction mechanism of the electroless deposition of the NiCrB film, the failure temperature and the failure mechanism of the NiCrB diffusion barrier layer were investigated. The prepared samples were subjected to XRD, XPS, FPP and AFM to determine the phases, composition, sheet resistance and surface morphology of samples before and after annealing. The results of these analyses indicated that the failure temperature of the NiCrB barrier film was 900 °C and the failure mechanism led to crystallization and grain growth of the NiCrB barrier layer after high temperature annealing. It was found that this process caused Cu grains to reach Si substrate through the grain boundaries, and then the reaction between Cu and Si resulted in the formation of highly resistive Cu{sub 3}Si.

Blocking germanium diffusion inside silicon dioxide using a co-implanted silicon barrier

Science.gov (United States)

Barba, D.; Wang, C.; Nélis, A.; Terwagne, G.; Rosei, F.

2018-04-01

We investigate the effect of co-implanting a silicon sublayer on the thermal diffusion of germanium ions implanted into SiO2 and the growth of Ge nanocrystals (Ge-ncs). High-resolution imaging obtained by transmission electron microscopy and energy dispersive spectroscopy measurements supported by Monte-Carlo calculations shows that the Si-enriched region acts as a diffusion barrier for Ge atoms. This barrier prevents Ge outgassing during thermal annealing at 1100 °C. Both the localization and the reduced size of Ge-ncs formed within the sample region co-implanted with Si are observed, as well as the nucleation of mixed Ge/Si nanocrystals containing structural point defects and stacking faults. Although it was found that the Si co-implantation affects the crystallinity of the formed Ge-ncs, this technique can be implemented to produce size-selective and depth-ordered nanostructured systems by controlling the spatial distribution of diffusing Ge. We illustrate this feature for Ge-ncs embedded within a single SiO2 monolayer, whose diameters were gradually increased from 1 nm to 5 nm over a depth of 100 nm.

Microstructural characteristics of HIP-bonded monolithic nuclear fuels with a diffusion barrier

Energy Technology Data Exchange (ETDEWEB)

Jue, Jan-Fong, E-mail: dennis.keiser@inl.gov; Keiser, Dennis D.; Breckenridge, Cynthia R.; Moore, Glenn A.; Meyer, Mitchell K.

2014-05-01

Due to the limitation of maximum uranium load achievable by dispersion fuel type, the Global Threat Reduction Initiative is developing an advanced monolithic fuel to convert US high-performance research reactors to low-enriched uranium. Hot-isostatic-press (HIP) bonding was the single process down-selected to bond monolithic U–Mo fuel meat to aluminum alloy cladding. A diffusion barrier was applied to the U–Mo fuel meat by roll-bonding process to prevent extensive interaction between fuel meat and aluminum-alloy cladding. Microstructural characterization was performed on fresh fuel plates fabricated at Idaho National Laboratory. Interfaces between the fuel meat, the cladding, and the diffusion barrier, as well as between the U–10Mo fuel meat and the Al-6061 cladding, were characterized by scanning electron microscopy. Preliminary results indicate that the interfaces contain many different phases while decomposition, second phases, and chemical banding were also observed in the fuel meat. The important attributes of the HIP-bonded monolithic fuel are: • A typical Zr diffusion barrier with a thickness of 25 μm. • A transverse cross section that exhibits relatively equiaxed grains with an average grain diameter of 10 μm. • Chemical banding, in some areas more than 100 μm in length, that is very pronounced in longitudinal (i.e., rolling) direction with Mo concentration varying from 7–13 wt.%. • Decomposed areas containing plate-shaped low-Mo phase. • A typical Zr/cladding interaction layer with a thickness of 1–2 μm. • A visible UZr{sub 2} bearing layer with a thickness of 1–2 μm. • Mo-rich precipitates (mainly Mo{sub 2}Zr, forming a layer in some areas) followed by a Mo-depleted sub-layer between the visible UZr{sub 2}-bearing layer and the U–Mo matrix. • No excessive interaction between cladding and the uncoated fuel edge. • Cladding-to-cladding bonding that exhibits no cracks or porosity with second phases high in Mg, Si, and O

Physical barrier effect of geopolymeric waste form on diffusivity of cesium and strontium

Energy Technology Data Exchange (ETDEWEB)

Jang, J.G.; Park, S.M.; Lee, H.K., E-mail: haengki@kaist.ac.kr

2016-11-15

Highlights: • Physical immobilization of radionuclides in geopolymer was quantitatively assessed. • Fly ash-based geopolymer showed excellent immobilization performance. • Diffusivity of soluble Cs and Sr was highly correlated with critical pore diameter. - Abstract: The present study investigates the physical barrier effect of geopolymeric waste form on leaching behavior of cesium and strontium. Fly ash-based geopolymers and slag-blended geopolymers were used as solidification agents. The leaching behavior of cesium and strontium from geopolymers was evaluated in accordance with ANSI/ANS-16.1. The diffusivity of cesium and strontium in a fly ash-based geopolymer was lower than that in Portland cement by a factor of 10{sup 3} and 10{sup 4}, respectively, showing significantly improved immobilization performance. The leaching resistance of fly ash-based geopolymer was relatively constant regardless of the type of fly ash. The diffusivity of water-soluble cesium and strontium ions were highly correlated with the critical pore diameter of the binder. The critical pore diameter of the fly ash-based geopolymer was remarkably smaller than those of Portland cement and slag-blended geopolymer; consequently, its ability physically to retard the diffusion of nuclides (physical barrier effect) was superior.

Ordering of Self-Diffusion Barrier Energies on Pt(110)-1x2

International Nuclear Information System (INIS)

Feibelman, Peter J.

1999-01-01

Bond-counting arguments, supported by ab-initio calculations, predict a lower barrier for ''leapfrog'' diffusion of Pt addimers on Pt(llO)-lx2 than for adatom dif- fusion or addimer dissociation. This conflicts with experiment, possibly signaling contaminant influence

Electroless Ni-Mo-P diffusion barriers with Pd-activated self-assembled monolayer on SiO2

International Nuclear Information System (INIS)

Liu Dianlong; Yang Zhigang; Zhang Chi

2010-01-01

Ternary Ni-based amorphous films can serve as a diffusion barrier layer for Cu interconnects in ultralarge-scale integration (ULSI) applications. In this paper, electroless Ni-Mo-P films deposited on SiO 2 layer without sputtered seed layer were prepared by using Pd-activated self-assembled monolayer (SAM). The solutions and operating conditions for pretreatment and deposition were presented, and the formation of Pd-activated SAM was demonstrated by XPS (X-ray photoelectron spectroscopy) analysis and BSE (back-scattered electron) observation. The effects of the concentration of Na 2 MoO 4 added in electrolytes, pH value, and bath temperature on the surface morphology and compositions of Ni-Mo-P films were investigated. The microstructures, diffusion barrier property, electrical resistivity, and adhesion were also examined. Based on the experimental results, the Ni-Mo-P alloys produced by using Pd-activated SAM had an amorphous or amorphous-like structure, and possessed good performance as diffusion barrier layer.

TiO2 as diffusion barrier at Co/Alq3 interface studied by x-ray standing wave technique

Science.gov (United States)

Phatak Londhe, Vaishali; Gupta, A.; Ponpandian, N.; Kumar, D.; Reddy, V. R.

2018-06-01

Nano-scale diffusion at the interfaces in organic spin valve thin films plays a vital role in controlling the performance of magneto-electronic devices. In the present work, it is shown that a thin layer of titanium dioxide at the interface of Co/Alq3 can act as a good diffusion barrier. The buried interfaces of Co/Alq3/Co organic spin valve thin film has been studied using x-ray standing waves technique. A planar waveguide is formed with Alq3 layer forming the cavity and Co layers as the walls of the waveguide. Precise information about diffusion of Co into Alq3 is obtained through excitation of the waveguide modes. It is found that the top Co layer diffuses deep into the Alq3 resulting in incorporation of 3.1% Co in the Alq3 layer. Insertion of a 1.7 nm thick barrier layer of TiO2 at Co/Alq3 interface results in a drastic reduction in the diffusion of Co into Alq3 to a value of only 0.4%. This suggests a better performance of organic spin valve with diffusion barrier of TiO2.

Selection of design parameters of diffusion barrier in a passive 222Rn sampler based on activated charcoal adsorption

International Nuclear Information System (INIS)

Wei Suxia

1992-01-01

A method concerning selection of design parameters of diffusion barrier in a passive 222 Rn sampler based on activated charcoal adsorption. The proper parameter value of diffusion barrier is obtained by means of linearization of 222 Rn adsorption versus the exposure time. Thus, the influence of temperature on measured results may be greatly decreased, and higher sensitivity of the detector may be maintained

Electron microscopy characterization of a molybdenum diffusion barrier in metallizations for chip carriers

International Nuclear Information System (INIS)

He Anqiang; Ivey, Douglas G.

2004-01-01

Mo layers have been studied as potential diffusion barriers for Au-Sn solder bonds in micro/optoelectronic device packaging. Solder was electroplated as alternating AuSn and Au 5 Sn multi-layers on wafers covered with Ti as an adhesion layer, followed by Mo as the diffusion barrier and Au as a capping layer. Samples were annealed at 340-420 deg. C for as long as 20 min. Scanning and transmission electron microscopy (SEM and TEM) were utilized to characterize interfacial reactions. Mo was found to be metallurgically stable, relative to the Au-Sn solder and the other metallization components, at temperatures up to at least 420 deg. C. However, the effectiveness of Mo as a barrier can be compromised by two factors. One of these is related to surface roughness associated with AlN or Al 2 O 3 carriers. Non-uniform metallization coverage can lead to breaks in the Mo barrier, resulting in contact between the carrier and molten solder during bonding applications. In addition, thermal stresses generated during heating and cooling can lead to cracking and spalling of the Mo and adhesion layers, exposing the carrier material to molten solder. Pre-annealing can help to relieve the thermal stresses and prevent spalling

Impact of volume and surface processes on the pre-ionization of dielectric barrier discharges: advanced diagnostics and fluid modeling

Science.gov (United States)

Nemschokmichal, Sebastian; Tschiersch, Robert; Höft, Hans; Wild, Robert; Bogaczyk, Marc; Becker, Markus M.; Loffhagen, Detlef; Stollenwerk, Lars; Kettlitz, Manfred; Brandenburg, Ronny; Meichsner, Jürgen

2018-05-01

The phenomenology and breakdown mechanism of dielectric barrier discharges are strongly determined by volume and surface memory effects. In particular, the pre-ionization provided by residual species in the volume or surface charges on the dielectrics influences the breakdown behavior of filamentary and diffuse discharges. This was investigated by advanced diagnostics such as streak camera imaging, laser photodetachment of negative ions and laser photodesorption of electrons from dielectric surfaces in correlation with 1D fluid modeling. The streak camera images show that an increasing number of residual charges in the volume changes the microdischarge breakdown in air-like gas mixtures from a cathode-directed streamer to a simultaneous propagation of cathode- and anode-directed streamers. In contrast, seed electrons are important for the pre-ionization if the density of residual charges in the volume is low. One source of seed electrons are negative ions, whose density exceeds the electron density during the pre-phase of diffuse helium-oxygen barrier discharges as indicated by the laser photodetachment experiments. Electrons desorbed from the cathodic dielectric have an even larger influence. They induce a transition from the glow-like to the Townsend-like discharge mode in nominally pure helium. Apart from analyzing the importance of the pre-ionization for the breakdown mechanism, the opportunities for manipulating the lateral structure and discharge modes are discussed. For this purpose, the intensity and diameter of a diffuse discharge in helium are controlled by an illuminated semiconducting barrier. Contribution to the Topical Issue "Fundamentals of Complex Plasmas", edited by Jürgen Meichsner, Michael Bonitz, Holger Fehske, Alexander Piel.

Physical barrier effect of geopolymeric waste form on diffusivity of cesium and strontium.

Science.gov (United States)

Jang, J G; Park, S M; Lee, H K

2016-11-15

The present study investigates the physical barrier effect of geopolymeric waste form on leaching behavior of cesium and strontium. Fly ash-based geopolymers and slag-blended geopolymers were used as solidification agents. The leaching behavior of cesium and strontium from geopolymers was evaluated in accordance with ANSI/ANS-16.1. The diffusivity of cesium and strontium in a fly ash-based geopolymer was lower than that in Portland cement by a factor of 10(3) and 10(4), respectively, showing significantly improved immobilization performance. The leaching resistance of fly ash-based geopolymer was relatively constant regardless of the type of fly ash. The diffusivity of water-soluble cesium and strontium ions were highly correlated with the critical pore diameter of the binder. The critical pore diameter of the fly ash-based geopolymer was remarkably smaller than those of Portland cement and slag-blended geopolymer; consequently, its ability physically to retard the diffusion of nuclides (physical barrier effect) was superior. Copyright © 2016 Elsevier B.V. All rights reserved.

Diffusion barrier characteristics of co monolayer prepared by Langmuir Blodgett technique

Energy Technology Data Exchange (ETDEWEB)

Sharma, Sumit, E-mail: sumitelsd2007@gmail.com [Electronic Science Department, Kurukshetra University, Kurukshetra, Haryana 136119 (India); Kumar, Mukesh, E-mail: kumarmukesh@gmail.com [Department of Electrical Engineering, College of Engineering at Wadi Aldawasir, Prince Sattam Bin Abdulaziz University, Wadi Aldawasir 11991 (Saudi Arabia); Rani, Sumita [Electronic Science Department, Kurukshetra University, Kurukshetra, Haryana 136119 (India); Kumar, Dinesh, E-mail: dineshelsd@gmail.com [Electronic Science Department, Kurukshetra University, Kurukshetra, Haryana 136119 (India)

2016-04-30

Graphical abstract: Thermal stability of structures (a) Cu/SiO{sub 2}/Si and (b) Cu/Co/SiO{sub 2}/Si, indicating that presence of thin cobalt layer improves the thermal stability of the structure up to 600 °C. - Highlights: • Monolayers of cobalt were deposited on SiO{sub 2}/Si substrates using LB technique. • Copper layers were deposited on this structures using thermal evaporation method. • Thermal stability was determined by annealing the structures at various temperatures. • The structure was found to be stable up to 650 °C. - Abstract: Monolayers of Co over SiO{sub 2}/Si substrate were deposited using Langmuir Blodgett (LB) technique. The diffusion barrier capability of Co layer was evaluated against copper diffusion. The structure of the deposited Co layer was analyzed using X-ray photoelectron spectroscopy (XPS), Energy Dispersive X-ray Spectroscopy (EDS) and Atomic force microscopy (AFM) techniques. Thermal stability of Cu/SiO{sub 2}/Si and Cu/Co/SiO{sub 2}/Si test structures was studied and compared using X-ray diffraction (XRD), scanning electron microscope (SEM) and four probe techniques. The samples were annealed at different temperatures starting from 200 °C up to 700 °C in vacuum for 30 min. XRD results indicated that combination of Co/SiO{sub 2} worked as diffusion barrier up to 550 °C whereas SiO{sub 2} alone could work as barrier only up to 300 °C. Sheet resistance of these samples was measured as a function of annealing temperature which also supports XRD results. C–V curves of these structures under the influence of Biased Thermal Stress (BTS) were analyzed. BTS was applied at 2.5 MV cm{sup −1} at 150 °C. Results showed that in the presence of Co barrier layer there was no shift in the C–V curve even after 90 min of BTS while in the absence of barrier there was a significant shift in the C–V curve even after 30 min of BTS. Further these test structures were examined for leakage current density (j{sub L}) at same BTS

Performance of the diffusion barrier in the metallic fuel in sodium-cooled fast reactor

International Nuclear Information System (INIS)

Kim, Jun Hwan; Ryu, Ho Jin; Yang, Seong Woo; Lee, Byoung Oon; Oh, Seok Jin; Lee, Chan Bock; Hahn, Dohee

2009-01-01

The objectives in this study are to propose several kinds of barrier materials and to evaluate their performance to prevent a fuel-clad interaction situation between the metallic fuel and the clad material in the Sodium-cooled Fast Reactor (SFR). Metallic foil made from refractory element, electrodeposition of the Cr on the clad surface, and the vapor deposition of the Zr were used as the barrier layers. The diffusion couple test was performed at the temperature of 800degC for 25 hour. The results showed that considerable amount of reaction occurred at the specimen without barrier, whereas excellent performance was observed in that neither reaction nor inter-diffusion occurred in the case of metallic foil made of Cr or V. Electrodeposition was revealed to be excellent provided that optimum deposition condition can be found. Similar to the electro-deposition result, excellent performance observed in the case of vapor deposition condition. (author)

Investigation of Top/Bottom electrode and Diffusion Barrier Layer for PZT Thick Film MEMS Sensors

DEFF Research Database (Denmark)

Hindrichsen, Christian Carstensen; Pedersen, Thomas; Thomsen, Erik Vilain

2008-01-01

Top and bottom electrodes for screen printed piezoelectric lead zirconate titanate, Pb(ZrxTi1 - x)O3 (PZT) thick film are investigated with respect to future MEMS devices. Down to 100 nm thick E-beam evaporated Al and Pt films are patterned as top electrodes on the PZT using a lift-off process...... with a line width down to 3 μ m. A 700 nm thick ZrO2 layer as insolating diffusion barrier layer is found to be insufficient as barrier layer for PZT on a silicon substrate sintered at 850°C. EDX shows diffusion of Si into the PZT layer....

Convective diffusion of nanoparticles from the epithelial barrier toward regional lymph nodes.

Science.gov (United States)

Dukhin, Stanislav S; Labib, Mohamed E

2013-11-01

Drug delivery using nanoparticles as drug carriers has recently attracted the attention of many investigators. Targeted delivery of nanoparticles to the lymph nodes is especially important to prevent cancer metastasis or infection, and to diagnose disease stage. However, systemic injection of nanoparticles often results in organ toxicity because they reach and accumulate in all the lymph nodes in the body. An attractive strategy would be to deliver the drug-loaded nanoparticles to a subset of draining lymph nodes corresponding to a specific site or organ to minimize systemic toxicity. In this respect, mucosal delivery of nanoparticles to regional draining lymph nodes of a selected site creates a new opportunity to accomplish this task with minimal toxicity. One example is the delivery of nanoparticles from the vaginal lumen to draining lymph nodes to prevent the transmission of HIV in women. Other known examples include mucosal delivery of vaccines to induce immunity. In all cases, molecular and particle transport by means of diffusion and convective diffusion play a major role. The corresponding transport processes have common inherent regularities and are addressed in this review. Here we use nanoparticle delivery from the vaginal lumen to the lymph nodes as an example to address the many aspects of associated transport processes. In this case, nanoparticles penetrate the epithelial barrier and move through the interstitium (tissue) to the initial lymphatics until they finally reach the lymph nodes. Since the movement of interstitial liquid near the epithelial barrier is retarded, nanoparticle transport was found to take place through special foci present in the epithelium. Immediately after nanoparticles emerge from the foci, they move through the interstitium due to diffusion affected by convection (convective diffusion). Specifically, the convective transport of nanoparticles occurs due to their convection together with interstitial fluid through the

Josephson phase qubit circuit for the evaluation of advanced tunnel barrier materials

Energy Technology Data Exchange (ETDEWEB)

Kline, Jeffrey S; Oh, Seongshik; Pappas, David P [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Wang Haohua; Martinis, John M [Department of Physics, University of California, Santa Barbara, CA 93106 (United States)], E-mail: klinej@nist.gov

2009-01-15

We have found that crystalline Josephson junctions have problems with the control of critical current density that decrease the circuit yield. We present a superconducting quantum bit circuit designed to accommodate a factor of five variation in critical current density from one fabrication run to the next. The new design enables the evaluation of advanced tunnel barrier materials for superconducting quantum bits. Using this circuit design, we compare the performance of Josephson phase qubits fabricated with MgO and Al{sub 2}O{sub 3} advanced crystalline tunnel barriers to AlO{sub x} amorphous tunnel barrier qubits.

Na effect on flexible Cu(In,Ga)Se{sub 2} photovoltaic cell depending on diffusion barriers (SiOx, i-ZnO) on stainless steel

Energy Technology Data Exchange (ETDEWEB)

Lee, Woo-Jung; Cho, Dae-Hyung; Wi, Jae-Hyung; Han, Won Seok [Electronics and Telecommunications Research Institute, Daejeon 305-700 (Korea, Republic of); Kim, Jeha [Insitute of Photovoltaics, Cheongju University, Cheongju 360-764 (Korea, Republic of); Chung, Yong-Duck, E-mail: ydchung@etri.re.kr [Electronics and Telecommunications Research Institute, Daejeon 305-700 (Korea, Republic of); Department of Advanced Device Engineering, Korea University of Science and Technology, Daejeon 305-350 (Korea, Republic of)

2014-10-15

Cu(In,Ga)Se{sub 2} (CIGS) based-photovoltaic (PV) cells with different diffusion barriers of SiOx and i-ZnO were fabricated on stainless steel (STS) substrate and their electrical characteristics were investigated by measuring J–V curves under illuminated and dark conditions. The physical properties of the CIGS film depending on type of diffusion barrier were also analyzed using X-ray diffraction and secondary ion mass spectroscopy. The efficiency of the CIGS-PV cell with i-ZnO barrier was approximately 2% higher than that with the SiOx barrier. Through the analysis of dark J–V curves, we discovered that distinctive defects were formed in the band gap of CIGS based on which diffusion barrier contacted the STS. The diffraction pattern showed a slightly different tendency of the peak intensity ratio of (220/204)/(112) in the PV cell with the i-ZnO barrier, which was slightly higher than that in the PV cell with SiOx barrier. In elemental depth profile, a deficient Ga profile was observed near the surface of the CIGS film with the SiOx barrier, and an abundant Na profile within the CIGS film with the i-ZnO barrier was detected. This is attributed to a difference in thermal conduction through the diffusion barriers during CIGS film growth, originating from the larger thermal conductivity of ZnO compared with SiOx. - Highlights: • We fabricated CIGS-PV cells with diffusion barriers of SiOx and i-ZnO on STS. • The efficiency of CIGS-PV cell with i-ZnO was ∼2% higher than that with SiOx. • Distinctive defects were formed into CIGS absorber depending on diffusion barrier.

Recent advances in modelling diffuse radiation

Energy Technology Data Exchange (ETDEWEB)

Boland, John; Ridley, Barbara [Centre for Industrial and Applied Mathematics, Univ. of South Australia, Mawson Lakes, SA (Australia)

2008-07-01

Boland et al (2001) developed a validated model for Australian conditions, using a logistic function instead of piecewise linear or simple nonlinear functions. Recently, Jacovides et al (2006) have verified that this model performs well for locations in Cyprus. Their analysis includes using moving average techniques to demonstrate the form of the relationship, which corresponds well to a logistic relationship. We have made significant advances in both the intuitive and theoretical justification of the use of the logistic function. In the theoretical development of the model utilising advanced non-parametric statistical methods. We have also constructed a method of identifying values that are likely to be erroneous. Using quadratic programming, we can eliminate outliers in diffuse radiation values, the data most prone to errors in measurement. Additionally, this is a first step in identifying the means for developing a generic model for estimating diffuse from global and other predictors (see Boland and Ridley 2007). Our more recent investigations focus on examining the effects of adding additional explanatory variables to enhance the predictability of the model. Examples for Australian and other locations will be presented. (orig.)

Silica-sol-based spin-coating barrier layer against phosphorous diffusion for crystalline silicon solar cells.

Science.gov (United States)

Uzum, Abdullah; Fukatsu, Ken; Kanda, Hiroyuki; Kimura, Yutaka; Tanimoto, Kenji; Yoshinaga, Seiya; Jiang, Yunjian; Ishikawa, Yasuaki; Uraoka, Yukiharu; Ito, Seigo

2014-01-01

The phosphorus barrier layers at the doping procedure of silicon wafers were fabricated using a spin-coating method with a mixture of silica-sol and tetramethylammonium hydroxide, which can be formed at the rear surface prior to the front phosphorus spin-on-demand (SOD) diffusion and directly annealed simultaneously with the front phosphorus layer. The optimization of coating thickness was obtained by changing the applied spin-coating speed; from 2,000 to 8,000 rpm. The CZ-Si p-type silicon solar cells were fabricated with/without using the rear silica-sol layer after taking the sheet resistance measurements, SIMS analysis, and SEM measurements of the silica-sol material evaluations into consideration. For the fabrication of solar cells, a spin-coating phosphorus source was used to form the n(+) emitter and was then diffused at 930°C for 35 min. The out-gas diffusion of phosphorus could be completely prevented by spin-coated silica-sol film placed on the rear side of the wafers coated prior to the diffusion process. A roughly 2% improvement in the conversion efficiency was observed when silica-sol was utilized during the phosphorus diffusion step. These results can suggest that the silica-sol material can be an attractive candidate for low-cost and easily applicable spin-coating barrier for any masking purpose involving phosphorus diffusion.

Surface and interface analysis of PVD Al-O-N and {gamma}-Al{sub 2}O{sub 3} diffusion barriers

Energy Technology Data Exchange (ETDEWEB)

Cremer, R.; Witthaut, M.; Reichert, K.; Neuschuetz, D. [Technische Hochschule Aachen (Germany). Lehrstuhl fuer Metallurgie der Kernbrennstoffe und Theoretische Huettenkunde

1999-10-01

The suitability of PVD films of {gamma}-Al{sub 2}O{sub 3} and of ternary Al-O-N as diffusion barriers between a nickel based superalloy CMSX-4 and NiCoCrAlY for a possible application in gas turbines was investigated. Therefore, an Al{sub 2}O{sub 3} film and, alternatively, an Al-O-N film were deposited on CMSX-4 at 100 C substrate temperature by means of reactive magnetron sputtering ion plating (MSIP). After characterization of composition and structure of the films by X-ray photoelectron spectroscopy (XPS) and grazing incidence X-ray diffraction (XRD), a NiCoCrAlY coating was deposited onto the diffusion barriers and, for comparison, directly onto CMSX-4 by MSIP as well. The composites were annealed for 4 h at 1100 C under inert atmosphere. Wavelength dispersive X-ray (WDX) element mappings and line-scans of the cross-sectional cut served to evaluate the suitability of the films as diffusion barriers. After detachment of the coatings from the substrate, the phase stabilities of the two metastable phases {gamma}-Al{sub 2}O{sub 3} and Al-O-N were determined by means of grazing incidence XRD. Without a diffusion barrier, enhanced interdiffusion was observed. Analyses of the composite with the {gamma}-Al{sub 2}O{sub 3} interlayer revealed diffusion of Ti and Ta from the substrate into the NiCoCrAlY coating. No interdiffusion of Ni, Ti, Ta, and Cr could be detected in case of the ternary Al-O-N film. Whereas the ternary Al-O-N film remained in the as-deposited X-ray amorphous structure after annealing, a phase change from the {gamma} to the {alpha} modification could be observed in case of the Al{sub 2}O{sub 3} film, presumably responsible for its lower efficiency as a diffusion barrier. (orig.)

Time-to-failure analysis of 5 nm amorphous Ru(P) as a copper diffusion barrier

International Nuclear Information System (INIS)

Henderson, Lucas B.; Ekerdt, John G.

2009-01-01

Evaluation of chemical vapor deposited amorphous ruthenium-phosphorous alloy as a copper interconnect diffusion barrier is reported. Approximately 5 nm-thick Ru(P) and TaN films in Cu/Ru(P)/SiO 2 /p-Si and Cu/TaN/SiO 2 /p-Si stacks are subjected to bias-temperature stress at electric fields from 2.0 MV/cm to 4.0 MV/cm and temperatures from 200 deg. C to 300 deg. C . Time-to-failure measurements suggest that chemical vapor deposited Ru(P) is comparable to physical vapor deposited TaN in preventing Cu diffusion. The activation energy of failure for stacks using Ru(P) as a liner is determined to be 1.83 eV in the absence of an electric field. Multiple models of dielectric failure, including the E and Schottky-type √E models indicate that Ru(P) is acceptable for use as a diffusion barrier at conditions likely in future technology generations

Analysis and experimental study on formation conditions of large-scale barrier-free diffuse atmospheric pressure air plasmas in repetitive pulse mode

Science.gov (United States)

Li, Lee; Liu, Lun; Liu, Yun-Long; Bin, Yu; Ge, Ya-Feng; Lin, Fo-Chang

2014-01-01

Atmospheric air diffuse plasmas have enormous application potential in various fields of science and technology. Without dielectric barrier, generating large-scale air diffuse plasmas is always a challenging issue. This paper discusses and analyses the formation mechanism of cold homogenous plasma. It is proposed that generating stable diffuse atmospheric plasmas in open air should meet the three conditions: high transient power with low average power, excitation in low average E-field with locally high E-field region, and multiple overlapping electron avalanches. Accordingly, an experimental configuration of generating large-scale barrier-free diffuse air plasmas is designed. Based on runaway electron theory, a low duty-ratio, high voltage repetitive nanosecond pulse generator is chosen as a discharge excitation source. Using the wire-electrodes with small curvature radius, the gaps with highly non-uniform E-field are structured. Experimental results show that the volume-scaleable, barrier-free, homogeneous air non-thermal plasmas have been obtained between the gap spacing with the copper-wire electrodes. The area of air cold plasmas has been up to hundreds of square centimeters. The proposed formation conditions of large-scale barrier-free diffuse air plasmas are proved to be reasonable and feasible.

Computing the blood brain barrier (BBB) diffusion coefficient: A molecular dynamics approach

Energy Technology Data Exchange (ETDEWEB)

Shamloo, Amir, E-mail: shamloo@sharif.edu; Pedram, Maysam Z.; Heidari, Hossein; Alasty, Aria, E-mail: aalasti@sharif.edu

2016-07-15

Various physical and biological aspects of the Blood Brain Barrier (BBB) structure still remain unfolded. Therefore, among the several mechanisms of drug delivery, only a few have succeeded in breaching this barrier, one of which is the use of Magnetic Nanoparticles (MNPs). However, a quantitative characterization of the BBB permeability is desirable to find an optimal magnetic force-field. In the present study, a molecular model of the BBB is introduced that precisely represents the interactions between MNPs and the membranes of Endothelial Cells (ECs) that form the BBB. Steered Molecular Dynamics (SMD) simulations of the BBB crossing phenomenon have been carried out. Mathematical modeling of the BBB as an input-output system has been considered from a system dynamics modeling viewpoint, enabling us to analyze the BBB behavior based on a robust model. From this model, the force profile required to overcome the barrier has been extracted for a single NP from the SMD simulations at a range of velocities. Using this data a transfer function model has been obtained and the diffusion coefficient is evaluated. This study is a novel approach to bridge the gap between nanoscale models and microscale models of the BBB. The characteristic diffusion coefficient has the nano-scale molecular effects inherent, furthermore reducing the computational costs of a nano-scale simulation model and enabling much more complex studies to be conducted. - Highlights: • Molecular dynamics simulation of crossing nano-particles through the BBB membrane at different velocities. • Recording the position of nano-particle and the membrane-NP interaction force profile. • Identification of a frequency domain model for the membrane. • Calculating the diffusion coefficient based on MD simulation and identified model. • Obtaining a relation between continuum medium and discrete medium.

Diffusion barrier characteristics and shear fracture behaviors of eutectic PbSn solder/electroless Co(W,P) samples

International Nuclear Information System (INIS)

Pan, Hung-Chun; Hsieh, Tsung-Eong

2012-01-01

Highlights: ► Diffusion barrier features, activation energies of IMC growth and mechanical behaviors of electroless Co(W,P)/PbSn joints. ► Amorphous Co(W,P) is a sacrificial- plus stuffed-type barrier while polycrystalline Co(W,P) is a sacrificial-type barrier. ► Ductile mode dominates the failure of Co(W,P)/PbSn joints. ► Phosphorus content of Co(W,P) is crucial to the barrier capability and microstructure evolution at Co(W,P)/PbSn interface. ► Diffusion barrier capability is governed by the nature of chemical bonds, rather than the crystallinity of materials. - Abstract: Diffusion barrier characteristics, activation energy (E a ) of IMC growth and bonding properties of amorphous and polycrystalline electroless Co(W,P) (termed as α-Co(W,P) and poly-Co(W,P)) to eutectic PbSn solder are presented. Intermetallic compound (IMC) spallation and an nano-crystalline P-rich layer were observed in PbSn/α-Co(W,P) samples subjected to liquid-state aging at 250 °C. In contrast, IMCs resided on the P-rich layer in PbSn/α-Co(W,P) samples subjected to solid-state aging at 150 °C. Thick IMCs neighboring to an amorphous W-rich layer was seen in PbSn/poly-Co(W,P) samples regardless of the aging type. α-Co(W,P) was found to be a sacrificial- plus stuffed-type barrier while poly-Co(W,P) is mainly a sacrificial-type barrier. The values of E a 's for PbSn/α-Co(W,P) and PbSn/poly-Co(W,P) systems were 338.6 and 167.5 kJ/mol, respectively. Shear test revealed the ductile mode dominates the failure in both α- and poly-Co(W,P) samples. Analytical results indicated the high P content in electroless layer might enhance the barrier capability but degrade the bonding strength.

Simultaneous cell death and desquamation of the embryonic diffusion barrier during epidermal development

International Nuclear Information System (INIS)

Saathoff, Manuela; Blum, Barbara; Quast, Thomas; Kirfel, Gregor; Herzog, Volker

2004-01-01

The periderm is an epithelial layer covering the emerging epidermis in early embryogenesis of vertebrates. In the chicken embryo, an additional cellular layer, the subperiderm, occurs at later embryonic stages underneath the periderm. The questions arose what is the function of both epithelial layers and, as they are transitory structures, by which mechanism are they removed. By immunocytochemistry, the tight junction (TJ) proteins occludin and claudin-1 were localized in the periderm and in the subperiderm, and sites of close contact between adjacent cells were detected by electron microscopy. Using horseradish peroxidase (HRP) as tracer, these contacts were identified as tight junctions involved in the formation of the embryonic diffusion barrier. This barrier was lost by desquamation at the end of the embryonic period, when the cornified envelope of the emerging epidermis was formed. By TUNEL and DNA ladder assays, we detected simultaneous cell death in the periderm and the subperiderm shortly before hatching. The absence of caspases-3, -6, and -7 activity, key enzymes of apoptosis, and the lack of typical morphological criteria of apoptosis such as cell fragmentation or membrane blebbing point to a special form of programmed cell death (PCD) leading to the desquamation of the embryonic diffusion barrier

Diffusion barrier and adhesion properties of SiO(x)N(y) and SiO(x) layers between Ag/polypyrrole composites and Si substrates.

Science.gov (United States)

Horváth, Barbara; Kawakita, Jin; Chikyow, Toyohiro

2014-06-25

This paper describes the interface reactions and diffusion between silver/polypyrrole (Ag/PPy) composite and silicon substrate. This composite material can be used as a novel technique for 3D-LSI (large-scale integration) by the fast infilling of through-silicon vias (TSV). By immersion of the silicon wafer with via holes into the dispersed solution of Ag/PPy composite, the holes are filled with the composite. It is important to develop a layer between the composite and the Si substrate with good diffusion barrier and adhesion characteristics. In this paper, SiOx and two types of SiOxNy barrier layers with various thicknesses were investigated. The interface structure between the Si substrate, the barrier, and the Ag/PPy composite was characterized by transmission electron microscopy. The adhesion and diffusion properties of the layers were established for Ag/PPy composite. Increasing thickness of SiOx proved to permit less Ag to transport into the Si substrate. SiOxNy barrier layers showed very good diffusion barrier characteristics; however, their adhesion depended strongly on their composition. A barrier layer composition with good adhesion and Ag barrier properties has been identified in this paper. These results are useful for filling conductive metal/polymer composites into TSV.

Effects of angular dependence of surface diffuseness in deformed nuclei on Coulomb barrier

International Nuclear Information System (INIS)

Adamian, G.G.; Antonenko, N.V.; Malov, L.A.; Scamps, G.; Lacroix, D.

2014-01-01

The angular dependence of surface diffuseness is further discussed. The results of self-consistent calculations are compared with those obtained with the phenomenological mean-field potential. The rather simple parametrizations are suggested. The effects of surface polarization and hexadecapole deformation on the height of the Coulomb barrier are revealed. (authors)

Method of moments approach to pricing double barrier contracts in polynomial jump-diffusion models

NARCIS (Netherlands)

Eriksson, B.; Pistorius, M.

2011-01-01

Abstract: We present a method of moments approach to pricing double barrier contracts when the underlying is modelled by a polynomial jump-diffusion. By general principles the price is linked to certain infinite dimensional linear programming problems. Subsequently approximating these by finite

Production of atmospheric pressure diffuse nanosecond pulsed dielectric barrier discharge using the array needles-plate electrode in air

International Nuclear Information System (INIS)

Yang Dezheng; Wang Wenchun; Jia Li; Nie Dongxia; Shi Hengchao

2011-01-01

In this paper, a bidirectional high pulse voltage with 20 ns rising time is employed to generate an atmospheric pressure diffuse dielectric barrier discharge using the array needles-plate electrode configuration. Both double needle and multiple needle electrode configurations nanosecond pulsed dielectric barrier discharges are investigated. It is found that a diffuse discharge plasma with low gas temperature can be obtained, and the plasma volume increases with the increase of the pulse peak voltage, but remains almost constant with the increase of the pulse repetition rate. In addition to showing the potential application on a topographically nonuniform surface treatment of the discharge, the multiple needle-plate electrode configuration with different needle-plate electrode gaps are also employed to generate diffuse discharge plasma.

Atomic layer deposition on polymer based flexible packaging materials: Growth characteristics and diffusion barrier properties

International Nuclear Information System (INIS)

Kaeaeriaeinen, Tommi O.; Maydannik, Philipp; Cameron, David C.; Lahtinen, Kimmo; Johansson, Petri; Kuusipalo, Jurkka

2011-01-01

One of the most promising areas for the industrial application of atomic layer deposition (ALD) is for gas barrier layers on polymers. In this work, a packaging material system with improved diffusion barrier properties has been developed and studied by applying ALD on flexible polymer based packaging materials. Nanometer scale metal oxide films have been applied to polymer-coated papers and their diffusion barrier properties have been studied by means of water vapor and oxygen transmission rates. The materials for the study were constructed in two stages: the paper was firstly extrusion coated with polymer film, which was then followed by the ALD deposition of oxide layer. The polymers used as extrusion coatings were polypropylene, low and high density polyethylene, polylactide and polyethylene terephthalate. Water vapor transmission rates (WVTRs) were measured according to method SCAN-P 22:68 and oxygen transmission rates (O 2 TRs) according to a standard ASTM D 3985. According to the results a 10 nm oxide layer already decreased the oxygen transmission by a factor of 10 compared to uncoated material. WVTR with 40 nm ALD layer was better than the level currently required for most common dry flexible packaging applications. When the oxide layer thickness was increased to 100 nm and above, the measured WVTRs were limited by the measurement set up. Using an ALD layer allowed the polymer thickness on flexible packaging materials to be reduced. Once the ALD layer was 40 nm thick, WVTRs and O 2 TRs were no longer dependent on polymer layer thickness. Thus, nanometer scale ALD oxide layers have shown their feasibility as high quality diffusion barriers on flexible packaging materials.

Atomic layer deposition on polymer based flexible packaging materials: Growth characteristics and diffusion barrier properties

Energy Technology Data Exchange (ETDEWEB)

Kaeaeriaeinen, Tommi O., E-mail: tommi.kaariainen@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Maydannik, Philipp, E-mail: philipp.maydannik@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Cameron, David C., E-mail: david.cameron@lut.f [ASTRaL, Lappeenranta University of Technology, Prikaatinkatu 3 E, 50100 Mikkeli (Finland); Lahtinen, Kimmo, E-mail: kimmo.lahtinen@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland); Johansson, Petri, E-mail: petri.johansson@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland); Kuusipalo, Jurkka, E-mail: jurkka.kuusipalo@tut.f [Tampere University of Technology, Paper Converting and Packaging Technology, P.O. Box 541, 33101 Tampere (Finland)

2011-03-01

One of the most promising areas for the industrial application of atomic layer deposition (ALD) is for gas barrier layers on polymers. In this work, a packaging material system with improved diffusion barrier properties has been developed and studied by applying ALD on flexible polymer based packaging materials. Nanometer scale metal oxide films have been applied to polymer-coated papers and their diffusion barrier properties have been studied by means of water vapor and oxygen transmission rates. The materials for the study were constructed in two stages: the paper was firstly extrusion coated with polymer film, which was then followed by the ALD deposition of oxide layer. The polymers used as extrusion coatings were polypropylene, low and high density polyethylene, polylactide and polyethylene terephthalate. Water vapor transmission rates (WVTRs) were measured according to method SCAN-P 22:68 and oxygen transmission rates (O{sub 2}TRs) according to a standard ASTM D 3985. According to the results a 10 nm oxide layer already decreased the oxygen transmission by a factor of 10 compared to uncoated material. WVTR with 40 nm ALD layer was better than the level currently required for most common dry flexible packaging applications. When the oxide layer thickness was increased to 100 nm and above, the measured WVTRs were limited by the measurement set up. Using an ALD layer allowed the polymer thickness on flexible packaging materials to be reduced. Once the ALD layer was 40 nm thick, WVTRs and O{sub 2}TRs were no longer dependent on polymer layer thickness. Thus, nanometer scale ALD oxide layers have shown their feasibility as high quality diffusion barriers on flexible packaging materials.

Diffusion barriers of Al2O3 to reduce the bondcoat-oxidation of MCrAlY alloys

International Nuclear Information System (INIS)

Schmitt-Thomas, K.G.; Dietl, U.

1992-01-01

Under operating conditions in gas turbines plasma sprayed MCrAlY bondcoats (M = Co and/or Ni) for thermal barrier coatings are exposed to a strong oxidation attack. One possibility to reduce bondcoat oxidation is the application of diffusion barriers. Onto the bondcoat, diffusion barriers of Al 2 O 3 are deposited by CVD, PVD and plasma pulse process. The oxidation behaviour of these coating systems were examined at a temperature of 1273 K for times up to 250 hours. The CVD and PVD Al 2 O 3 - coated specimens show compared to the uncoated specimens smaller oxidation rates. The porous Al 2 O 3 coatings, produced by plasma pulse process are not fit for oxidation protection of the bondcoat. There is hope for further improvement of the oxidation resistance by optimizing the CVD- and PVD-process parameters. (orig.) [de

Self-Formed Barrier with Cu-Mn alloy Metallization and its Effects on Reliability

International Nuclear Information System (INIS)

Koike, J.; Wada, M.; Usui, T.; Nasu, H.; Takahashi, S.; Shimizu, N.; Yoshimaru, M.; Shibata, H.

2006-01-01

Advancement of semiconductor devices requires the realization of an ultra-thin (less than 5 nm thick) diffusion barrier layer between Cu interconnect and insulating layers. Self-forming barrier layers have been considered as an alternative barrier structure to the conventional Ta/TaN barrier layers. The present work investigated the possibility of the self-forming barrier layer using Cu-Mn alloy thin films deposited directly on SiO2. After annealing at 450 deg. C for 30 min, an amorphous oxide layer of 3-4 nm in thickness was formed uniformly at the interface. The oxide formation was accompanied by complete expulsion of Mn atoms from the Cu-Mn alloy, leading to a drastic decrease in resistivity of the film. No interdiffusion was observed between Cu and SiO2, indicating an excellent diffusion-barrier property of the interface oxide

Plasma sprayed and electrospark deposited zirconium metal diffusion barrier coatings

International Nuclear Information System (INIS)

Hollis, Kendall J.; Pena, Maria I.

2010-01-01

Zirconium metal coatings applied by plasma spraying and electrospark deposition (ESD) have been investigated for use as diffusion barrier coatings on low enrichment uranium fuel for research nuclear reactors. The coatings have been applied to both stainless steel as a surrogate and to simulated nuclear fuel uranium-molybdenum alloy substrates. Deposition parameter development accompanied by coating characterization has been performed. The structure of the plasma sprayed coating was shown to vary with transferred arc current during deposition. The structure of ESD coatings was shown to vary with the capacitance of the deposition equipment.

Driven diffusion against electrostatic or effective energy barrier across α-hemolysin

Energy Technology Data Exchange (ETDEWEB)

Ansalone, Patrizio [Istituto Nazionale di Ricerca Metrologica, Strada delle Cacce 91, Torino, IT-10135 (Italy); Chinappi, Mauro [Center for Life Nano Science@Sapienza, Istituto Italiano di Tecnologia, Via Regina Elena 291, 00161 Roma (Italy); Rondoni, Lamberto [Scienze Matematiche, Politecnico di Torino Corso Duca degli Abruzzi 24, Torino, IT-10129, Italy and INFN, Sez. di Torino, Via P. Giuria 1, Torino IT-10125 (Italy); Cecconi, Fabio, E-mail: fabio.cecconi@roma1.infn.it [CNR-Istituto dei Sistemi Complessi UoS “Sapienza,” Via dei Taurini 19, 00185 Roma (Italy)

2015-10-21

We analyze the translocation of a charged particle across an α-Hemolysin (αHL) pore in the framework of a driven diffusion over an extended energy barrier generated by the electrical charges of the αHL. A one-dimensional electrostatic potential is extracted from the full 3D solution of the Poisson’s equation. We characterize the particle transport under the action of a constant forcing by studying the statistics of the translocation time. We derive an analytical expression of translocation time average that compares well with the results from Brownian dynamic simulations of driven particles over the electrostatic potential. Moreover, we show that the translocation time distributions can be perfectly described by a simple theory which replaces the true barrier by an equivalent structureless square barrier. Remarkably, our approach maintains its accuracy also for low-applied voltage regimes where the usual inverse-Gaussian approximation fails. Finally, we discuss how the comparison between the simulated time distributions and their theoretical prediction results to be greatly simplified when using the notion of the empirical Laplace transform technique.

Fabrication of fine-grain tantalum diffusion barrier tube for Nb3Sn conductors

International Nuclear Information System (INIS)

Hartwig, K. T.; Balachandran, S.; Mezyenski, R.; Seymour, N.; Robinson, J.; Barber, R. E.

2014-01-01

Diffusion barriers used in Nb 3 Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy

Fabrication of fine-grain tantalum diffusion barrier tube for Nb3Sn conductors

Science.gov (United States)

Hartwig, K. T.; Balachandran, S.; Mezyenski, R.; Seymour, N.; Robinson, J.; Barber, R. E.

2014-01-01

Diffusion barriers used in Nb3Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy.

Reactive diffusion in Sc/Si multilayer X-ray mirrors with CrB2 barrier layers

International Nuclear Information System (INIS)

Pershyn, Y.P.; Zubarev, E.N.; Kondratenko, V.V.; Sevryukova, V.A.; Kurbatova, S.V.

2011-01-01

Processes undergoing in Sc/Si multilayer X-ray mirrors (MXMs) with periods of ∝27 nm and barrier layers of CrB 2 0.3- and 0.7-nm thick within the temperature range of 420-780 K were studied by methods of small-angle X-ray reflectivity (λ=0.154 nm) and cross-sectional transmission electron microscopy. All layers with the exception of Sc ones are amorphous. Barrier layers are stable at least up to a temperature of 625 K and double the activation energy of diffusional intermixing at moderate temperatures. Introduction of barriers improves the thermal stability of Sc/Si MXMs at least by 80 degrees. Diffusion of Si atoms through barrier layers into Sc layers with formation of silicides was shown to be the main degradation mechanism of MXMs. A comparison of the stability for Sc/Si MXMs with different barriers published in the literature is conducted. The ways of further improvement of barrier properties are discussed. (orig.)

Calcium-Magnesium-Aluminosilicate (CMAS) Reactions and Degradation Mechanisms of Advanced Environmental Barrier Coatings

Science.gov (United States)

Ahlborg, Nadia L.; Zhu, Dongming

2013-01-01

The thermochemical reactions between calcium-magnesium-aluminosilicate- (CMAS-) based road sand and several advanced turbine engine environmental barrier coating (EBC) materials were studied. The phase stability, reaction kinetics and degradation mechanisms of rare earth (RE)-silicates Yb2SiO5, Y2Si2O7, and RE-oxide doped HfO2 and ZrO2 under the CMAS infiltration condition at 1500 C were investigated, and the microstructure and phase characteristics of CMAS-EBC specimens were examined using Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD). Experimental results showed that the CMAS dissolved RE-silicates to form crystalline, highly non-stoichiometric apatite phases, and in particular attacking the silicate grain boundaries. Cross-section images show that the CMAS reacted with specimens and deeply penetrated into the EBC grain boundaries and formed extensive low-melting eutectic phases, causing grain boundary recession with increasing testing time in the silicate materials. The preliminary results also showed that CMAS reactions also formed low melting grain boundary phases in the higher concentration RE-oxide doped HfO2 systems. The effect of the test temperature on CMAS reactions of the EBC materials will also be discussed. The faster diffusion exhibited by apatite and RE-doped oxide phases and the formation of extensive grain boundary low-melting phases may limit the CMAS resistance of some of the environmental barrier coatings at high temperatures.

Transmission electron microscopy study for investigating high-temperature reliability of Ti10W90-based and Ta-based diffusion barriers up to 600 C

International Nuclear Information System (INIS)

Budhiman, Nando; Schuermann, Ulrich; Kienle, Lorenz; Jensen, Bjoern; Chemnitz, Steffen; Wagner, Bernhard

2016-01-01

Abstractauthoren Transmission electron microscopy (TEM) analysis, including energy dispersive X-ray (EDX) (elemental mapping, line, and point measurements) and energy filtered TEM (EFTEM) methods, is applied to investigate the high temperature reliability, especially material diffusion, of two types of diffusion barriers: titanium-tungsten-based (Ti 10 W 90 -based) and tantalum-based (Ta-based), with nickel (Ni) layer on top. Both barriers were deposited as a form of stacked layers on sili-con (Si) wafers using the physical vapor deposition (PVD) technique. TEM analysis is performed on both barriers before and after annealing (at 600 C for 24 h inside a vacuum chamber). No diffusion of material into the Si substrate as observed. Additionally, only diffusion between the Ni and adjoining Ti 10 W 90 layers, and between Ni and adjoining Ta layers in the Ti 10 W 90 -based and Ta-based barriers, respectively, are observed due to annealing. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Microstructural analysis of as-processed U-10 wt.%Mo monolithic fuel plate in AA6061 matrix with Zr diffusion barrier

Energy Technology Data Exchange (ETDEWEB)

Perez, E.; Yao, B. [Advanced Materials Processing and Analysis Center, Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States); Keiser, D.D. [Nuclear Fuels and Materials Division, Idaho National Laboratory, Scoville, ID 83415 (United States); Sohn, Y.H., E-mail: ysohn@mail.ucf.ed [Advanced Materials Processing and Analysis Center, Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816 (United States)

2010-07-01

For higher U-loading in low-enriched U-10 wt.%Mo fuels, monolithic fuel plate clad in AA6061 is being developed as a part of Reduced Enrichment for Research and Test Reactor (RERTR) program. This paper reports the first characterization results from a monolithic U-10 wt.%Mo fuel plate with a Zr diffusion barrier that was fabricated as part of a plate fabrication campaign for irradiation testing in the Advanced Test Reactor (ATR). Both scanning and transmission electron microscopy (SEM and TEM) were employed for analysis. At the interface between the Zr barrier and U-10 wt.%Mo, going from Zr to U(Mo), UZr{sub 2}, {gamma}-UZr, Zr solid-solution and Mo{sub 2}Zr phases were observed. The interface between AA6061 cladding and Zr barrier plate consisted of four layers, going from Al to Zr, (Al, Si){sub 2}Zr, (Al, Si)Zr{sub 3} (Al, Si){sub 3}Zr, and AlSi{sub 4}Zr{sub 5}. Irradiation behavior of these intermetallic phases is discussed based on their constituents. Characterization of as-fabricated phase constituents and microstructure would help understand the irradiation behavior of these fuel plates, interpret post-irradiation examination, and optimize the processing parameters of monolithic fuel system.

Microstructural analysis of as-processed U-10 wt.%Mo monolithic fuel plate in AA6061 matrix with Zr diffusion barrier

Science.gov (United States)

Perez, E.; Yao, B.; Keiser, D. D., Jr.; Sohn, Y. H.

2010-07-01

For higher U-loading in low-enriched U-10 wt.%Mo fuels, monolithic fuel plate clad in AA6061 is being developed as a part of Reduced Enrichment for Research and Test Reactor (RERTR) program. This paper reports the first characterization results from a monolithic U-10 wt.%Mo fuel plate with a Zr diffusion barrier that was fabricated as part of a plate fabrication campaign for irradiation testing in the Advanced Test Reactor (ATR). Both scanning and transmission electron microscopy (SEM and TEM) were employed for analysis. At the interface between the Zr barrier and U-10 wt.%Mo, going from Zr to U(Mo), UZr 2, γ-UZr, Zr solid-solution and Mo 2Zr phases were observed. The interface between AA6061 cladding and Zr barrier plate consisted of four layers, going from Al to Zr, (Al, Si) 2Zr, (Al, Si)Zr 3 (Al, Si) 3Zr, and AlSi 4Zr 5. Irradiation behavior of these intermetallic phases is discussed based on their constituents. Characterization of as-fabricated phase constituents and microstructure would help understand the irradiation behavior of these fuel plates, interpret post-irradiation examination, and optimize the processing parameters of monolithic fuel system.

A mechanistic model for long-term nuclear waste glass dissolution integrating chemical affinity and interfacial diffusion barrier

Energy Technology Data Exchange (ETDEWEB)

Ma, Teqi [Northwest Institute of Nuclear Technology, No.28 Pingyu Road, Baqiao District, Xi' an,Shaanxi, 710024 (China); Mechanics and Physics of Solids Research Group, Modelling and Simulation Centre, The University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom); Jivkov, Andrey P., E-mail: andrey.jivkov@manchester.ac.uk [Mechanics and Physics of Solids Research Group, Modelling and Simulation Centre, The University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom); Li, Weiping; Liang, Wei; Wang, Yu; Xu, Hui [Northwest Institute of Nuclear Technology, No.28 Pingyu Road, Baqiao District, Xi' an,Shaanxi, 710024 (China); Han, Xiaoyuan, E-mail: xyhan_nint@sina.cn [Northwest Institute of Nuclear Technology, No.28 Pingyu Road, Baqiao District, Xi' an,Shaanxi, 710024 (China)

2017-04-01

Understanding the alteration of nuclear waste glass in geological repository conditions is critical element of the analysis of repository retention function. Experimental observations of glass alterations provide a general agreement on the following regimes: inter-diffusion, hydrolysis process, rate drop, residual rate and, under very particular conditions, resumption of alteration. Of these, the mechanisms controlling the rate drop and the residual rate remain a subject of dispute. This paper offers a critical review of the two most competitive models related to these regimes: affinity–limited dissolution and diffusion barrier. The limitations of these models are highlighted by comparison of their predictions with available experimental evidence. Based on the comprehensive discussion of the existing models, a new mechanistic model is proposed as a combination of the chemical affinity and diffusion barrier concepts. It is demonstrated how the model can explain experimental phenomena and data, for which the existing models are shown to be not fully adequate.

Characteristics of membranes which are suitable for isotopic separation by gaseous diffusion; Caracteristiques des barrieres utilisables pour la separation isotopique par diffusion gazeuse

Energy Technology Data Exchange (ETDEWEB)

Massignon, D [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1958-07-01

In this article we shall briefly describe how results obtained from the experimental analysis of the structure of membranes can be used on the one hand for determining this structure and on the other hand as a result for example of the detection of too many large pores or micro fissures and the existence of leaks at the joints, for eliminating membranes which can not be used industrially. Here we shall only consider the utilisation of information given by measurement of the specific permeability G{sub 0}, the pore radius for the molecular (diffusion) regime r{sub mol.}, the pore radius for the viscous diffusion regime the pore radius for the intermediate stage of diffusion, r{sub wicke}, the pore radius r{sub sep.} which is used for determining the actual separation, the distribution of the pore radius defined by mercury symmetry, the B.E.T. and central X ray diffusion. First of all we shall give the definition which is adopted in practice for these empirical values, which can be adapted for a rapid analysis of the quality of membranes by comparing them with the same measurements carried out on standard porous samples. In a second section we show in a few cases which have occurred in routine measurement how by comparison it is possible to eliminate membranes which do not have a suitable structure. (author) [French] Dans cet expose, nous allons montrer sommairement comment les resultats donnes par les methodes experimentales de controle de la structure des barrieres peuvent, d'une part, conduire a une certaine representation de cette structure et, d'autre part, permettre d'eliminer les barrieres non utilisables industriellement en detectant par exemple les trop nombreux gros pores ou microfissures et l'existence de fuites aux joints. Nous nous limiterons ici a l'exploitation des renseignements donnes par la permeabilite specifique G{sub 0}, le rayon de pore r{sub mol.} effectif en regime moleculaire, le rayon de pore r{sub visq.} effectif en regime visqueux, le

Efficiency enhancement of CIGS compound solar cell fabricated using homomorphic thin Cr{sub 2}O{sub 3} diffusion barrier formed on stainless steel substrate

Energy Technology Data Exchange (ETDEWEB)

Sim, Jae-Kwan; Lee, Seung-Kyu; Kim, Jin-Soo; Jeong, Kwang-Un; Ahn, Haeng-Keun; Lee, Cheul-Ro, E-mail: crlee7@jbnu.ac.kr

2016-12-15

Highlights: • A chromium oxide layer is formed as diffusion barrier by thermal oxidation process on STS substrate. • A Cr{sub 2}O{sub 3} layer effectively reduces impurities diffusion into the CIGS absorber layer. • The Cr{sub 2}O{sub 3} layer plays an important role in increasing the efficiency by reduction of impurity diffusion. - Abstract: It is known that the efficiency of flexible Cu(In,Ga)Se{sub 2} (CIGS) solar cells fabricated on stainless-steel (STS) substrates deteriorates due to iron (Fe) and Cr impurities diffusing into the CIGS absorber layer. To overcome this problem, a nanoscale homomorphic chromium oxide layer was formed as a diffusion barrier by thermal oxidation on the surface of STS substrates for 1 min at 600 °C in oxygen atmosphere. By TEM and grazing-incidence X-ray diffraction (GIXRD), it was confirmed that the formed oxide layer on surface of STS substrates was a Cr{sub 2}O{sub 3} layer. It was found that the formed homomorphic Cr{sub 2}O{sub 3} thin layer of about 15 nm thickness was an effective diffusion barrier to reduce impurity diffusion into the CIGS layer by secondary ion mass spectroscopy (SIMS). In contrast to the efficiency of CIGS solar cell without homomorphic Cr{sub 2}O{sub 3} diffusion layer is 8.6%, whereas with diffusion barrier it increases to 10.6% because of impurities such as Fe and Cr from the STS substrate into the CIGS layer. It reveals that the layer formed on the surface of STS substrate by thermal oxidation process plays an important role in increasing the performance of CIGS solar cells.

A novel method to achieve selective emitter for silicon solar cell using low cost pattern-able a-Si thin films as the semi-transparent phosphorus diffusion barrier

International Nuclear Information System (INIS)

Chen, Da Ming; Liang, Zong Cun; Zhuang, Lin; Lin, Yang Huan; Shen, Hui

2012-01-01

Highlights: ► a-Si thin films as semitransparent phosphorus diffusion barriers for solar cell. ► a-Si thin films on silicon wafers were patterned by the alkaline solution. ► Selective emitter was formed with patterned a-Si as diffusion barrier for solar cell. -- Abstract: Selective emitter for silicon solar cell was realized by employing a-Si thin films as the semi-transparent diffusion barrier. The a-Si thin films with various thicknesses (∼10–40 nm) were deposited by the electron-beam evaporation technique. Emitters with sheet resistances from 37 to 145 Ω/□ were obtained via POCl 3 diffusion process. The thickness of the a-Si diffusion barrier was optimized to be 15 nm for selective emitter in our work. Homemade mask which can dissolve in ethanol was screen-printed on a-Si film to make pattern. The a-Si film was then patterned in KOH solution to form finger-like design. Selective emitter was obtainable with one-step diffusion with patterned a-Si film on. Combinations of sheet resistances for the high-/low-level doped regions of 39.8/112.1, 36.2/88.8, 35.4/73.9 were obtained. These combinations are suitable for screen-printed solar cells. This preparation method of selective emitter based on a-Si diffusion barrier is a promising approach for low cost industrial manufacturing.

Performance of WCN diffusion barrier for Cu multilevel interconnects

Science.gov (United States)

Lee, Seung Yeon; Ju, Byeong-Kwon; Kim, Yong Tae

2018-04-01

The electrical and thermal properties of a WCN diffusion barrier have been studied for Cu multilevel interconnects. The WCN has been prepared using an atomic layer deposition system with WF6-CH4-NH3-H2 gases and has a very low resistivity of 100 µΩ cm and 96.9% step coverage on the high-aspect-ratio vias. The thermally stable WCN maintains an amorphous state at 800 °C and Cu/WCN contact resistance remains within a 10% deviation from the initial value after 700 °C. The mean time to failure suggests that the Cu/WCN interconnects have a longer lifetime than Cu/TaN and Cu/WN interconnects because WCN prevents Cu migration owing to the stress evolution from tensile to compressive.

Crossing the Blood-Brain Barrier: Recent Advances in Drug Delivery to the Brain.

Science.gov (United States)

Patel, Mayur M; Patel, Bhoomika M

2017-02-01

CNS disorders are on the rise despite advancements in our understanding of their pathophysiological mechanisms. A major hurdle to the treatment of these disorders is the blood-brain barrier (BBB), which serves as an arduous janitor to protect the brain. Many drugs are being discovered for CNS disorders, which, however fail to enter the market because of their inability to cross the BBB. This is a pronounced challenge for the pharmaceutical fraternity. Hence, in addition to the discovery of novel entities and drug candidates, scientists are also developing new formulations of existing drugs for brain targeting. Several approaches have been investigated to allow therapeutics to cross the BBB. As the molecular structure of the BBB is better elucidated, several key approaches for brain targeting include physiological transport mechanisms such as adsorptive-mediated transcytosis, inhibition of active efflux pumps, receptor-mediated transport, cell-mediated endocytosis, and the use of peptide vectors. Drug-delivery approaches comprise delivery from microspheres, biodegradable wafers, and colloidal drug-carrier systems (e.g., liposomes, nanoparticles, nanogels, dendrimers, micelles, nanoemulsions, polymersomes, exosomes, and quantum dots). The current review discusses the latest advancements in these approaches, with a major focus on articles published in 2015 and 2016. In addition, we also cover the alternative delivery routes, such as intranasal and convection-enhanced diffusion methods, and disruption of the BBB for brain targeting.

Investigation of microstructure and properties of ultrathin graded ZrNx self-assembled diffusion barrier in deep nano-vias prepared by plasma ion immersion implantation

Science.gov (United States)

Zou, Jianxiong; Liu, Bo; Lin, Liwei; Lu, Yuanfu; Dong, Yuming; Jiao, Guohua; Ma, Fei; Li, Qiran

2018-01-01

Ultrathin graded ZrNx self-assembled diffusion barriers with controllable stoichiometry was prepared in Cu/p-SiOC:H interfaces by plasma immersion ion implantation (PIII) with dynamic regulation of implantation fluence. The fundamental relationship between the implantation fluence of N+ and the stoichiometry and thereby the electrical properties of the ZrNx barrier was established. The optimized fluence of a graded ZrN thin film with gradually decreased Zr valence was obtained with the best electrical performance as well. The Cu/p-SiOC:H integration is thermally stable up to 500 °C due to the synergistic effect of Cu3Ge and ZrNx layers. Accordingly, the PIII process was verified in a 100-nm-thick Cu dual-damascene interconnect, in which the ZrNx diffusion barrier of 1 nm thick was successfully self-assembled on the sidewall without barrier layer on the via bottom. In this case, the via resistance was reduced by approximately 50% in comparison with Ta/TaN barrier. Considering the results in this study, ultrathin ZrNx conformal diffusion barrier can be adopted in the sub-14 nm technology node.

Dielectric and diffusion barrier multilayer for Cu(In,Ga)Se{sub 2} solar cells integration on stainless steel sheet

Energy Technology Data Exchange (ETDEWEB)

Amouzou, Dodji, E-mail: dodji.amouzou@fundp.ac.be [Research Centre in Physics of Matter and Radiation (PMR), University of Namur (FUNDP), Rue de Bruxelles, 61, 5000 Namur (Belgium); Guaino, Philippe; Fourdrinier, Lionel; Richir, Jean-Baptiste; Maseri, Fabrizio [CRM-Group, Boulevard de Colonster, B 57, 4000 Liège (Belgium); Sporken, Robert [Research Centre in Physics of Matter and Radiation (PMR), University of Namur (FUNDP), Rue de Bruxelles, 61, 5000 Namur (Belgium)

2013-09-02

For the fabrication of monolithically integrated flexible Cu(In, Ga)Se{sub 2}, CIGS modules on stainless steel, individual photovoltaic cells must be insulated from metal substrates by a barrier layer that can sustain high thermal treatments. In this work, a combination of sol–gel (organosilane-sol) and sputtered SiAlxOy forming thin diffusion barrier layers (TDBL) was prepared on stainless steel substrates. The deposition of organosilane-sol dielectric layers on the commercial stainless steel (maximal roughness, Rz = 500 nm and Root Mean Square roughness, RMS = 56 nm) induces a planarization of the surface (RMS = 16.4 nm, Rz = 176 nm). The DC leakage current through the dielectric layers was measured for the metal-insulator-metal (MIM) junctions that act as capacitors. This method allowed us to assess the quality of our TDBL insulating layer and its lateral uniformity. Indeed, evaluating a ratio of the number of valid MIM capacitors to the number of tested MIM capacitors, a yield of ∼ 95% and 50% has been reached respectively with non-annealed and annealed samples based on sol–gel double layers. A yield of 100% was achieved for sol–gel double layers reinforced with a sputtered SiAlxOy coating and a third sol–gel monolayer. Since this yield is obtained on several samples, it can be extrapolated to any substrate size. Furthermore, according to Glow Discharge Optical Emission Spectroscopy and Time of Flight Secondary Ion Mass Spectroscopy measurements, these barrier layers exhibit excellent barrier properties against the diffusion of undesired atoms which could otherwise spoil the electronic and optical properties of CIGS photovoltaic cells. - Highlights: • We functionalize steel for monolithically integrated Cu(In,Ga)Se{sub 2} solar cells • Thin dielectric and diffusion barrier layers (TDDBL) prepared on steel • Reliability and breakdown voltage of dielectric layers have been studied. • Investigation of thermal treatment effect on dielectric

Infrared gas phase study on plasma-polymer interactions in high-current diffuse dielectric barrier discharge

NARCIS (Netherlands)

Liu, Y.; Welzel, S.; Starostin, S. A.; van de Sanden, M. C. M.; Engeln, R.; de Vries, H. W.

2017-01-01

A roll-to-roll high-current diffuse dielectric barrier discharge at atmospheric pressure was operated in air and Ar/N2/O2 gas mixtures. The exhaust gas from the discharge was studied using a high-resolution Fourier-transform infrared spectrometer in the range from 3000 to 750?cm-1 to unravel the

Surface Coatings as Xenon Diffusion Barriers for Improved Detection of Clandestine Nuclear Explosions

OpenAIRE

Bläckberg, Lisa

2014-01-01

This thesis investigates surface coatings as xenon diffusion barriers on plastic scintillators. The motivation for the work is improved radioxenon detection systems, used within the verification regime of the Comprehensive Nuclear-Test-Ban Treaty (CTBT). One type of radioxenon detection systems used in this context is the Swedish SAUNA system. This system uses a cylindrical plastic scintillator cell to measure the beta decay from radioxenon isotopes. The detector cell also acts as a container...

Barium diffusion in metallo-organic solution deposited barrier layers and Y1Ba2Cu3O7-x films

International Nuclear Information System (INIS)

Lipeles, R.A.; Leung, M.S.; Thiede, D.A.

1990-01-01

This paper reports on barium silicate and barium aluminate films that were studied for use as chemical reaction and diffusion barrier layers for Y 1 Ba 2 Cu 3 O 7-x (YBC) deposited on sapphire and fused silica substrates by the sol-gel technique. Depth profiling by secondary ion mass spectrometry (SIMS) was used to characterize the abruptness of the interfaces between the barrier layer and the YBC film as well as the barrier layer and the substrate. The authors found that barium aluminate films reacted with fused silica substrates forming a coarse-grained barium silicate phase. Barium silicate, BaSiO 3 , also reacted with silica substrates forming a broad, amorphous reaction zone containing some BaSi 2 O 5 . Although barium silicate and barium aluminate deposited on sapphire formed a BaAl 12 O 19 phase, they provided a barrier to barium diffusion from sol-gel deposited YBC. Crystalline barium aluminate grown on c-cut sapphire was the most effective barrier layer for the growth of YBC films; compositionally uniform YBC films were made similar to that grown on strontium titanate substrates. These data show that chemically stable, crystalline films are more effective barrier layers than amorphous films

Low-temperature hydrogenation of diamond nanoparticles using diffuse coplanar surface barrier discharge at atmospheric pressure

Czech Academy of Sciences Publication Activity Database

Kromka, Alexander; Čech, J.; Kozak, Halyna; Artemenko, Anna; Ižák, Tibor; Čermák, Jan; Rezek, Bohuslav; Černák, M.

2015-01-01

Roč. 252, č. 11 (2015), s. 2602-2607 ISSN 0370-1972 R&D Projects: GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:68378271 Keywords : atmospheric plasma * diamond nanoparticles * diffuse coplanar surface barrier discharge * FTIR * XPS Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.522, year: 2015

Thermal barrier coatings issues in advanced land-based gas turbines

Science.gov (United States)

Parks, W. P.; Lee, W. Y.; Wright, I. G.

1995-01-01

The Department of Energy's Advanced Turbine System (ATS) program is aimed at forecasting the development of a new generation of land-based gas turbine systems with overall efficiencies significantly beyond those of current state-of-the-art machines, as well as greatly increased times between inspection and refurbishment, improved environmental impact, and decreased cost. The proposed duty cycle of ATS turbines will require the use of different criteria in the design of the materials for the critical hot gas path components. In particular, thermal barrier coatings will be an essential feature of the hot gas path components in these machines. While such coatings are routinely used in high-performance aircraft engines and are becoming established in land-based turbines, the requirements of the ATS turbine application are sufficiently different that significant improvements in thermal barrier coating technology will be necessary. In particular, it appears that thermal barrier coatings will have to function on all airfoil sections of the first stage vanes and blades to provide the significant temperature reduction required. In contrast, such coatings applied to the blades and vances of advanced aircraft engines are intended primarily to reduce air cooling requirements and extend component lifetime; failure of those coatings can be tolerated without jeopardizing mechanical or corrosion performance. A major difference is that in ATS turbines these components will be totally reliant on thermal barrier coatings which will, therefore, need to be highly reliable even over the leading edges of first stage blades. Obviously, the ATS program provides a very challenging opportunity for TBC's, and involves some significant opportunities to extend this technology.

Perceptions of Challenges and Barriers to Career Advancement by Women Administrators in the University of North Carolina System

Science.gov (United States)

Blue, Katina Michelle

2014-01-01

While women have made significant inroads and gains in the twentieth century, there remain challenges and barriers in regard to their satisfaction with career advancement opportunities. This mixed-method research study investigated perceptions of challenges and barriers to career advancement by women administrators at Group 2 institutions in the…

Three principles to improve clinician communication for advance care planning: overcoming emotional, cognitive, and skill barriers.

Science.gov (United States)

Weiner, Joseph S; Cole, Steven A

2004-12-01

Medical care of patients with life limiting illness remains fraught with serious deficiencies, including inadequate advance care planning, delayed hospice referral, and continued delivery of aggressive treatment that is overtly counter to patients' preferences. This paper describes clinicians' emotional, cognitive, and skill barriers to shared decision-making with seriously ill patients and their loved ones. Thematic literature review. Based on a literature review, as well as clinical and educational experience, we articulate three principles to address these barriers and guide future professional communication training for advance care planning. We argue that these barriers must be overcome before deficiencies in end-of-life care can be fully ameliorated.

Methods to improve the PVD coatability of brass by using diffusion barriers

Science.gov (United States)

Langer, Bernd

Previous work involving PVD coatings on brass has used a combination of multilayers consisting of electroplated films like nickel or chromium and deposited decorative PVD coatings like TiN, TiAIN or ZrN systems. The disadvantages of these systems are the combination of wet electrochemistry and high tech vacuum processes. Furthermore the allergic reaction to nickel and the toxic nature of Cr(VI) must be considered.There is a need for intermediate layers to 'seal-off the brass in order to avoid the evaporation of zinc in vacuum using a diffusion barrier. Furthermore the intermediate layers are required to act as a corrosion barrier.This thesis reports on the development of PVD coatings on heat sensitive brass substrate materials utilising ABS technology with Al, CuAl8 and Nb targets as vapour sources.The brass pretreatment includes careful grinding, polishing and cleaning steps as well as steered arc metal ion etching using the above target materials. The coatings are produced at temperatures between 100 and 250°C in the unbalanced magnetron mode, including layers made from Al, Al-Nb, CuA18, CuAl8-Nb and Nb.Scratch adhesion and Rockwell indentation tests are found not to be directly applicable to the system of soft brass and ductile coating(s). Therefore a new classification for both scratch and indentation tests was defined. The best adhesion was shown by the CuA18 coatings on brass. Corrosion tests showed good results for the Al coatings and poor results for the pure Nb coatings directly applied on brass. The best corrosion result was obtained with a CuAl8-Nb layer system. This layer system also offers very good barrier behaviour concerning Zn diffusion.Other investigations like Glow Discharge Optical Emission Spectroscopy (GDOES), Scanning Electron Microscopy (SEM) imaging, Transmission Electron Microscopy (TEM) and X-ray Diffraction (XRD) were undertaken to characterise the new coating systems for brass.

Investigation of amorphous RuMoC alloy films as a seedless diffusion barrier for Cu/p-SiOC:H ultralow-k dielectric integration

Energy Technology Data Exchange (ETDEWEB)

Jiao, Guohua [Shenzhen Institutes of Advanced Technology Chinese Academy of Sciences, Shenzhen (China); The Chinese University of Hong Kong, Shatin, Hong Kong (China); Liu, Bo [Sichuan University, Key Laboratory of Radiation Physics and Technology of Ministry of Education, Institute of Nuclear Science and Technology, Chengdu (China); Li, Qiran [CNRS-Universite Paris Sud UMR 8622, Institut d' Electronique Fondamentale, Orsay (France)

2015-08-15

Ultrathin RuMoC amorphous films prepared by magnetron co-sputtering with Ru and MoC targets in a sandwiched scheme Si/p-SiOC:H/RuMoC/Cu were investigated as barrier in copper metallization. The evolution of final microstructure of RuMoC alloy films show sensitive correlation with the content of doped Mo and C elements and can be easily controlled by adjusting the sputtering power of the MoC target. There was no signal of interdiffusion between the Cu and SiOC:H layer in the sample of Cu/RuMoC/p-SiOC:H/Si, even annealing up to 500 C. Very weak signal of oxygen have been confirmed in the RuMoC barrier layer both as-deposited and after being annealed, and a good performance on preventing oxygen diffusion has been proved. Leakage current and resistivity evaluations also reveal the excellent thermal reliability of this Si/p-SiOC:H/RuMoC/Cu film stack at the temperatures up to 500 C, indicating its potential application in the advanced barrierless Cu metallization. (orig.)

Design and Performance Optimizations of Advanced Erosion-Resistant Low Conductivity Thermal Barrier Coatings for Rotorcraft Engines

Science.gov (United States)

Zhu, Dongming; Miller, Robert A.; Kuczmarski, Maria A.

2012-01-01

Thermal barrier coatings will be more aggressively designed to protect gas turbine engine hot-section components in order to meet future rotorcraft engine higher fuel efficiency and lower emission goals. For thermal barrier coatings designed for rotorcraft turbine airfoil applications, further improved erosion and impact resistance are crucial for engine performance and durability, because the rotorcraft are often operated in the most severe sand erosive environments. Advanced low thermal conductivity and erosion-resistant thermal barrier coatings are being developed, with the current emphasis being placed on thermal barrier coating toughness improvements using multicomponent alloying and processing optimization approaches. The performance of the advanced thermal barrier coatings has been evaluated in a high temperature erosion burner rig and a laser heat-flux rig to simulate engine erosion and thermal gradient environments. The results have shown that the coating composition and architecture optimizations can effectively improve the erosion and impact resistance of the coating systems, while maintaining low thermal conductivity and cyclic oxidation durability

Barriers and facilitators to end-of-life communication in advanced chronic organ failure.

Science.gov (United States)

Van den Heuvel, Liza Amc; Spruit, Martijn A; Schols, Jos Mga; Hoving, Ciska; Wouters, Emiel Fm; Janssen, Daisy Ja

2016-05-01

The aim of this quantitative, cross-sectional study was to identify barriers and facilitators to end-of-life communication experienced by family caregivers of patients with advanced chronic organ failure and to examine agreement in barriers and facilitators between family caregivers and patients. Patients and family caregivers were interviewed using the barriers and facilitators questionnaire. Agreement was determined using intraclass correlation coefficients for continuous variables and Cohen's kappa for categorical variables. A total of 158 patients and family caregiver dyads were included. The most important barriers for family caregivers were related to uncertainty about expected care and focus on staying alive instead of dying. The facilitators were related to trust in and competence of their physician and earlier experiences with death in their (social) environment. For most barriers and facilitators, agreement between patients and family caregivers was fair to moderate. Differences in barriers and facilitators between patients and family caregivers ask for an individual approach to facilitate end-of-life communication.

Power dependence of ion thermal diffusivity at the internal transport barrier in JT-60U

Energy Technology Data Exchange (ETDEWEB)

Sakamoto, Yoshiteru; Suzuki, Takahiro; Ide, Shunsuke [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment] [and others

2002-09-01

The formation properties of an internal transport barrier (ITB) were investigated in a weak positive magnetic shear plasma by changing the neutral beam heating power. The ion thermal diffusivity in the core region shows L-mode state, weak ITB, and strong ITB, depending upon the heating power. Two features of ITB formation were experimentally confirmed. Weak ITB was formed in spite of the absence of an apparent transition in an ion temperature profile. On the other hand, strong ITB appeared after an apparent transition from the weak ITB. In addition, the ion thermal diffusivity at the ITB is correlated to the radial electric field shear. In the case of the weak ITB, ion thermal diffusivity decreased gradually with increases in the radial electric field shear. There exists a threshold in the radial electric field shear, which allows for a change in state from that of weak to strong ITBs. (author)

Filamentary and diffuse barrier discharges

International Nuclear Information System (INIS)

Kogelschatz, U.

2001-01-01

Barrier discharges, sometimes also referred to as dielectric-barrier discharges or silent discharges, are characterized by the presence of at least one insulating layer in contact with the discharge between two planar or cylindrical electrodes connected to an ac power supply. The main advantage of this type of electrical discharge is, that non-equilibrium plasma conditions in atmospheric-pressure gases can be established in an economic and reliable way. This has led to a number of important applications including industrial ozone generation, surface modification of polymers, plasma chemical vapor deposition, excitation of CO 2 lasers, excimer lamps and, most recently, large-area flat plasma display panels. Depending on the application, the width of the discharge gap can range from less than 0.1 mm to about 100 mm and the applied frequency from below line frequency to several gigahertz. Typical materials used for the insulating layer (dielectric barrier) are glass, quartz, ceramics but also thin enamel or polymer layers

The diffusion of solar energy use in HK: What are the barriers?

International Nuclear Information System (INIS)

Zhang Xiaoling; Shen Liyin; Chan, Sum Yee

2012-01-01

The world is facing the severe challenges of energy depletion and carbon dioxide (CO 2 ) emissions, and solar energy is considered to be a promising source of renewable energy and effective solution. However, the application of solar energy is limited in practice due to various barriers. Based on data collected from a survey of practice, this paper identifies the key barriers to the deployment of solar photovoltaic (PV) energy systems in Hong Kong. These include “high initial and repair cost”, “long payback period”, “inadequate installation space and service infrastructure”, “lack of participation of stakeholders/community in energy policy” and “lack of incentives by legislation and regulation”. Recommendations for addressing these barriers are proposed. For example, the high cost of solar PV energy systems can be reduced by the development and mass production of low-cost fabrication technologies and high performance PV technologies. Solar thermal applications should be encouraged as they are much more economical than solar PVs. It is also recommended that the Hong Kong Government adopt strategies to encourage a greater use of solar energy systems. The results from this study not only provide useful information for the Government, the private sector and consumers in Hong Kong but are also likely to apply equally to other similar regions around the world. - Highlights: ► The Hong Kong Government needs to adopt various strategies to encourage the solar energy system application. ► This paper identifies the key barriers to the diffusion of solar energy systems from a questionnaire survey and case study in Hong Kong. ► The barriers highlighted from the questionnaire survey include “high initial and repair cost”, “long payback period”, “inadequate installation space and service infrastructure”, “lack of stakeholder/community participation in energy choices” and “legal and regulation constraints”.

Atomic-layer-deposited WNxCy thin films as diffusion barrier for copper metallization

Science.gov (United States)

Kim, Soo-Hyun; Oh, Su Suk; Kim, Ki-Bum; Kang, Dae-Hwan; Li, Wei-Min; Haukka, Suvi; Tuominen, Marko

2003-06-01

The properties of WNxCy films deposited by atomic layer deposition (ALD) using WF6, NH3, and triethyl boron as source gases were characterized as a diffusion barrier for copper metallization. It is noted that the as-deposited film shows an extremely low resistivity of about 350 μΩ cm with a film density of 15.37 g/cm3. The film composition measured from Rutherford backscattering spectrometry shows W, C, and N of ˜48, 32, and 20 at. %, respectively. Transmission electron microscopy analyses show that the as-deposited film is composed of face-centered-cubic phase with a lattice parameter similar to both β-WC1-x and β-W2N with an equiaxed microstructure. The barrier property of this ALD-WNxCy film at a nominal thickness of 12 nm deposited between Cu and Si fails only after annealing at 700 °C for 30 min.

Advanced Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: NASA's Perspectives

Science.gov (United States)

Zhu, Dongming

2016-01-01

This presentation reviews NASA environmental barrier coating (EBC) system development programs and the coating materials evolutions for protecting the SiC/SiC Ceramic Matrix Composites in order to meet the next generation engine performance requirements. The presentation focuses on several generations of NASA EBC systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. The current EBC development emphasis is placed on advanced NASA 2700F candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance are described. The research and development opportunities for advanced turbine airfoil environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling are discussed.

Durability and CMAS Resistance of Advanced Environmental Barrier Coatings Systems for SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming

2015-01-01

Environmental barrier coatings (EBCs) and SiCSiC ceramic matrix composites (CMCs) systems will play a crucial role in next generation turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures with improved efficiency, reduce engine weight and cooling requirements. This paper will emphasize advanced environmental barrier coating developments for SiCSiC turbine airfoil components, by using advanced coating compositions and processing, in conjunction with mechanical and environment testing and durability validations. The coating-CMC degradations and durability in the laboratory simulated engine fatigue-creep and complex operating environments are being addressed. The effects of Calcium-Magnesium-Alumino-Silicate (CMAS) from road sand or volcano-ash deposits on the degradation mechanisms of the environmental barrier coating systems will be discussed. The results help understand the advanced EBC-CMC system performance, aiming at the durability improvements of more robust, prime-reliant environmental barrier coatings for successful applications of the component technologies and lifing methodologies.

Atomic-layer-deposited WNxCy thin films as diffusion barrier for copper metallization

International Nuclear Information System (INIS)

Kim, Soo-Hyun; Oh, Su Suk; Kim, Ki-Bum; Kang, Dae-Hwan; Li, Wei-Min; Haukka, Suvi; Tuominen, Marko

2003-01-01

The properties of WN x C y films deposited by atomic layer deposition (ALD) using WF 6 , NH 3 , and triethyl boron as source gases were characterized as a diffusion barrier for copper metallization. It is noted that the as-deposited film shows an extremely low resistivity of about 350 μΩ cm with a film density of 15.37 g/cm 3 . The film composition measured from Rutherford backscattering spectrometry shows W, C, and N of ∼48, 32, and 20 at. %, respectively. Transmission electron microscopy analyses show that the as-deposited film is composed of face-centered-cubic phase with a lattice parameter similar to both β-WC 1-x and β-W 2 N with an equiaxed microstructure. The barrier property of this ALD-WN x C y film at a nominal thickness of 12 nm deposited between Cu and Si fails only after annealing at 700 deg. C for 30 min

Nitrogen diffusion in hafnia and the impact of nitridation on oxygen and hydrogen diffusion: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

Sathiyanarayanan, Rajesh, E-mail: rajessat@in.ibm.com, E-mail: rajesh.sathiyanarayanan@gmail.com; Pandey, R. K.; Murali, K. V. R. M. [IBM Semiconductor Research and Development Center, Bangalore 560045 (India)

2015-01-21

Using first-principles simulations, we have computed incorporation energies and diffusion barriers of ammonia, the nitrogen molecule and atomic nitrogen in monoclinic hafnia (m-HfO{sub 2}). Our calculations show that ammonia is likely to dissociate into an NH{sub 2} molecular unit, whereas the nitrogen molecule remains as a molecule either in the interstitial space or at an oxygen lattice site. The lowest energy pathway for the diffusion of atomic nitrogen interstitials consists of the hopping of the nitrogen interstitial between neighboring three-coordinated lattice oxygen atoms that share a single Hf atom, and the barrier for such hops is determined by a switching mechanism. The substitutional nitrogen atom shows a preference for diffusion through the doubly positive oxygen vacancy-mediated mechanism. Furthermore, we have investigated the impact of nitrogen atoms on the diffusion barriers of oxygen and hydrogen interstitials in m-HfO{sub 2}. Our results show that nitrogen incorporation has a significant impact on the barriers for oxygen and hydrogen diffusion: nitrogen atoms attract oxygen and hydrogen interstitials diffusing in the vicinity, thereby slowing down (reducing) their diffusion (diffusion length)

Ocean floor sediment as a repository barrier: comparative diffusion data for selected radionuclides in sediments from the Atlantic and Pacific Oceans

International Nuclear Information System (INIS)

Schreiner, F.; Sabau, C.; Friedman, A.; Fried, S.

1986-01-01

Effective diffusion coefficients for selected radionuclides have been measured in ocean floor sediments to provide data for the assessment of barrier effectiveness in subseabed repositories for nuclear waste. The sediments tested include illite-rich and smectite-rich red clays from the mid plate gyre region of the Pacific Ocean, reducing sediment from the continental shelf of the northwest coast of North America, and Atlantic Ocean sediments from the Southern Nares Abyssal Plain and the Great Meteor East region. Results show extremely small effective diffusion coefficients with values less than 10 -14 m 2 s -1 for plutonium, americium, curium, thorium, and tin. Radionuclides with high diffusion coefficients of approximately 10 -10 m 2 s - include the anionic species pertechnetate, TcO 4 - , iodide, I - , and selenite, SO 3 -2 . Uranyl(VI) and neptunyl(V) ions, which are stable in solution, have diffusion coefficients around 10 -12 m 2 s -1 . The diffusion behavior of most radionuclides is similar in the oxygenated Pacific sediments and in the anoxic sediments from the Atlantic. An exception is neptunium, which is immobilized by Great Meteor East sediment, but has high mobility in Southern Nares Abyssal Plain sediment. Under stagnant conditions a 30 m thick sediment layer forms an effective geologic barrier isolating radionuclides in a subseabed repository from the biosphere

Ocean floor sediment as a repository barrier: comparative diffusion data for selected radionuclides in sediments from the Atlantic and Pacific Oceans

International Nuclear Information System (INIS)

Schreiner, F.; Sabau, C.; Friedman, A.; Fried, S.

1985-01-01

Effective diffusion coefficients for selected radionuclides have been measured in ocean floor sediments to provide data for the assessment of barrier effectiveness in subseabed repositories for nuclear waste. The sediments tested include illite-rich and smectite-rich red clays from the mid-plate gyre region of the Pacific Ocean, reducing sediment from the continental shelf of the northwest coast of North America, and Atlantic Ocean sediments from the Southern Nares Abyssal Plain and the Great Meteor East region. Results show extremely small effective diffusion coefficients with values less than 10 -14 m 2 s -1 for plutonium, americium, curium, thorium, and tin. Radionuclides with high diffusion coefficients of approximately 10 -10 m 2 s -1 include the anionic species pertechnetate, TcO 4 - , iodide, I - , and selenite, SeO 3 -2 . Uranyl(VI) and neptunyl(V) ions, which are stable in solution, have diffusion coefficients around 10 -12 m 2 s -1 . The diffusion behavior of most radionuclides is similar in the oxygenated Pacific sediments and in the anoxic sediments from the Atlantic. An exception is neptunium, which is immobilized by Great Meteor East sediment, but has high mobility in Southern Nares Abyssal Plain sediment. Under stagnant conditions a 30 m thick sediment layer forms an effective geologic barrier isolating radionuclides in a subseabed repository from the biosphere. 13 refs., 5 figs., 1 tab

Barriers to the implementation of advanced clinical pharmacy services at Portuguese hospitals.

Science.gov (United States)

Brazinha, Isabel; Fernandez-Llimos, Fernando

2014-10-01

In some countries, such as Portugal, clinical pharmacy services in the hospital setting may be implemented to a lower extent than desirable. Several studies have analysed the perceived barriers to pharmacy service implementation in community pharmacy. To identify the barriers towards the implementation of advanced clinical pharmacy services at a hospital level in Portugal, using medication follow-up as an example. Hospital pharmacies in Portugal. A qualitative study based on 20 face-to-face semi-structured interviews of strategists and hospital pharmacists. The interview guide was based on two theoretical frameworks, the Borum's theory of organisational change and the Social Network Theory, and then adapted for the Portuguese reality and hospital environments. A constant comparison process with previously analysed interviews, using an inductive approach, was carried out to allow themes to emerge. Themes were organised following the Leavitt's Organizational Model: functions and objectives; hospital pharmacist; structure of pharmacy services; environment; technology; and medication follow-up based on the study topic. Barriers towards practice change. Medication follow-up appeared not to be a well-known service in Portuguese hospital pharmacies. The major barriers at the pharmacist level were their mind-set, resistance to change, and lack of readiness. Lack of time, excessive bureaucratic and administrative workload, reduced workforce, and lack of support from the head of the service and other colleagues were identified as structural barriers. Lack of access to patients' clinical records and cumbersome procedures to implement medication follow-up were recognised as technological barriers. Poor communication with other healthcare professionals, and lack of support from professional associations were the major environmental barriers. Few of the barriers identified by Portuguese hospital pharmacists were consistent with previous reports from community pharmacy. The mind

Problems in measurements of parameters of elements and structures in modern micro- and nanoelectronics considering TiN/Ti diffusion barrier structures as an example

Science.gov (United States)

Smirnov, D. I.; Giniyatyllin, R. M.; Zyul'kov, I. Yu.; Medetov, N. A.; Gerasimenko, N. N.

2013-07-01

Results of a comprehensive analysis of process variables of TiN/Ti diffuse barrier structures used in modern microelectronics are presented. To provide reliable spectral ellipsometry results, which is a common technique for postprocess control of these structures during the testing stage of the manufacturing process, a comprehensive approach is suggested that consists in consistent processing of transmission electron microscopy and X-ray reflectometry data. The resulting data were used to calculate the variances of optical coefficients of spectral ellipsometry, which depend on features of the manufacturing process and are required for analysis of the parameters of manufactured diffuse barrier structures.

The effectiveness of Ti implants as barriers to carbon diffusion in Ti implanted steel under CVD diamond deposition conditions

Energy Technology Data Exchange (ETDEWEB)

Weiser, P.S.; Prawer, S. [Melbourne Univ., Parkville, VIC (Australia). School of Physics; Hoffman, A. [Technion-Israel Inst. of Tech., Haifa (Israel). Dept. of Chemistry; Evan, P.J. [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia); Paterson, P.J.K. [Royal Melbourne Inst. of Tech., VIC (Australia)

1993-12-31

The growth of chemical vapour deposited (CVD) diamond onto iron based substrates complicated by preferential soot formation and carbon diffusion into the substrate [1], leading to poor quality films and poor adhesion. In the initial stages of exposure to a microwave plasma, a layer of graphite is rapidly formed on an untreated Fe based substrate. Once this graphite layer reaches a certain thickness, reasonable quality diamond nucleates and grows upon it. However, the diamond film easily delaminates from the substrate, the weak link being the graphitic layer. Following an initial success in using a TiN barrier layer to inhibit the formation of such a graphitic layer the authors report on attempts to use an implanted Ti layer for the same purpose. This work was prompted by observation that, although the TiN proved to be an extremely effective diffusion barrier, adhesion may be further enhanced by the formation of a TiC interface layer between the diamond film and the Fe substrate. 3 refs., 6 figs.

The effectiveness of Ti implants as barriers to carbon diffusion in Ti implanted steel under CVD diamond deposition conditions

International Nuclear Information System (INIS)

Weiser, P.S.; Prawer, S.; Paterson, P.J.K.

1993-01-01

The growth of chemical vapour deposited (CVD) diamond onto iron based substrates complicated by preferential soot formation and carbon diffusion into the substrate [1], leading to poor quality films and poor adhesion. In the initial stages of exposure to a microwave plasma, a layer of graphite is rapidly formed on an untreated Fe based substrate. Once this graphite layer reaches a certain thickness, reasonable quality diamond nucleates and grows upon it. However, the diamond film easily delaminates from the substrate, the weak link being the graphitic layer. Following an initial success in using a TiN barrier layer to inhibit the formation of such a graphitic layer the authors report on attempts to use an implanted Ti layer for the same purpose. This work was prompted by observation that, although the TiN proved to be an extremely effective diffusion barrier, adhesion may be further enhanced by the formation of a TiC interface layer between the diamond film and the Fe substrate. 3 refs., 6 figs

The effectiveness of Ti implants as barriers to carbon diffusion in Ti implanted steel under CVD diamond deposition conditions

Energy Technology Data Exchange (ETDEWEB)

Weiser, P S; Prawer, S [Melbourne Univ., Parkville, VIC (Australia). School of Physics; Hoffman, A [Technion-Israel Inst. of Tech., Haifa (Israel). Dept. of Chemistry; Evan, P J [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW (Australia); Paterson, P J.K. [Royal Melbourne Inst. of Tech., VIC (Australia)

1994-12-31

The growth of chemical vapour deposited (CVD) diamond onto iron based substrates complicated by preferential soot formation and carbon diffusion into the substrate [1], leading to poor quality films and poor adhesion. In the initial stages of exposure to a microwave plasma, a layer of graphite is rapidly formed on an untreated Fe based substrate. Once this graphite layer reaches a certain thickness, reasonable quality diamond nucleates and grows upon it. However, the diamond film easily delaminates from the substrate, the weak link being the graphitic layer. Following an initial success in using a TiN barrier layer to inhibit the formation of such a graphitic layer the authors report on attempts to use an implanted Ti layer for the same purpose. This work was prompted by observation that, although the TiN proved to be an extremely effective diffusion barrier, adhesion may be further enhanced by the formation of a TiC interface layer between the diamond film and the Fe substrate. 3 refs., 6 figs.

Diffusion Weighted MRI as a predictive tool for effect of radiotherapy in locally advanced cervical cancer

DEFF Research Database (Denmark)

Haack, Søren; Tanderup, Kari; Fokdal, Lars

Diffusion weighted MRI has shown great potential in diagnostic cancer imaging and may also have value for monitoring tumor response during radiotherapy. Patients with advanced cervical cancer are treated with external beam radiotherapy followed by brachytherapy. This study evaluates the value of DW......-MRI for predicting outcome of patients with advanced cervical cancer at time of brachytherapy. Volume of hyper-intensity on highly diffusion sensitive images and resulting ADC value for treatment responders and non-responders is compared. The change of ADC and volume of hyper-intensity over time of BT is also...

Functionally gradient materials for thermal barrier coatings in advanced gas turbine systems

Energy Technology Data Exchange (ETDEWEB)

Banovic, S.W.; Barmak, K.; Chan, H.M. [Lehigh Univ., Bethlehem, PA (United States)] [and others

1995-10-01

New designs for advanced gas turbine engines for power production are required to have higher operating temperatures in order to increase efficiency. However, elevated temperatures will increase the magnitude and severity of environmental degradation of critical turbine components (e.g. combustor parts, turbine blades, etc{hor_ellipsis}). To offset this problem, the usage of thermal barrier coatings (TBCs) has become popular by allowing an increase in maximum inlet temperatures for an operating engine. Although thermal barrier technology is over thirty years old, the principle failure mechanism is the spallation of the ceramic coating at or near the ceramic/bond coat interface. Therefore, it is desirable to develop a coating that combines the thermal barrier qualities of the ceramic layer and the corrosion protection by the metallic bond coat without the detrimental effects associated with the localization of the ceramic/metal interface to a single plane.

Barriers to advancement in academic surgery: views of senior residents and early career faculty.

Science.gov (United States)

Cochran, Amalia; Elder, William B; Crandall, Marie; Brasel, Karen; Hauschild, Tricia; Neumayer, Leigh

2013-11-01

A significant faculty attrition rate exists in academic surgery. The authors hypothesized that senior residents and early-career faculty members have different perceptions of advancement barriers in academic surgery. A modified version of the Career Barriers Inventory-Revised was administered electronically to surgical residents and early-career surgical faculty members at 8 academic medical centers. Residents identified a lack of mentorship as a career barrier about half as often as faculty members. Residents were twice as likely as faculty members to view childbearing as a career barrier. Many early-career faculty members cite a lack of mentors as a limitation to their career development in academic surgery. Childbearing remains a complex perceived influence for female faculty members in particular. Female faculty members commonly perceive differential treatment and barriers on the basis of their sex. Faculty development programs should address both systemic and sex-specific obstacles if academic surgery is to remain a vibrant field. Copyright © 2013 Elsevier Inc. All rights reserved.

Investigation of cosputtered W--C thin films as diffusion barriers

International Nuclear Information System (INIS)

Yang, H.Y.; Zhao, X.

1988-01-01

Polycrystalline thin films of W--C were deposited on single-crystal Si or SiO 2 substrates by rf planar magnetron cosputtering of graphite (C) and W targets. The performance of cosputtered W 75 C 25 thin films as diffusion barriers between a Si substrate and metallic overlayers of Ag, Au, or Al was investigated. Backscattering spectrometry and x-ray diffraction are used to detect metallurgical interactions. Four-point probe measurement of resistance is employed to monitor the electrical stability of the metallization schemes upon thermal annealing in a vacuum for 30 min in temperature ranges from 500 to 700 0 C. The electrical resistivity of W 75 C 25 films is 140 μΩ cm. A W 75 C 25 layer 1100 A thick prevents metallurgical interdiffusion and reaction between Au or Ag overlayers and the Si substrates up to 700 0 C, and between an Al overlayer and the Si substrate up to 450 0 C.tential

High density high performance plasma with internal diffusion barrier in Large Helical Device

International Nuclear Information System (INIS)

Sakamoto, R.; Kobayashi, M.; Miyazawa, J.

2008-10-01

A attractive high density plasma operational regime, namely an internal diffusion barrier (IDB), has been discovered in the intrinsic helical divertor configuration on the Large Helical Device (LHD). The IDB which enables core plasma to access a high density/high pressure regime has been developed. It is revealed that the IDB is reproducibly formed by pellet fueling in the magnetic configurations shifted outward in major radius. Attainable central plasma density exceeds 1x10 21 m -3 . Central pressure reaches 1.5 times atmospheric pressure and the central β value becomes fairly high even at high magnetic field, i.e. β(0)=5.5% at B t =2.57 T. (author)

Ocean floor sediment as a repository barrier: comparative diffusion data for selected radionuclides in sediments from the Atlantic and Pacific Oceans

Energy Technology Data Exchange (ETDEWEB)

Schreiner, F.; Sabau, C.; Friedman, A.; Fried, S.

1985-01-01

Effective diffusion coefficients for selected radionuclides have been measured in ocean floor sediments to provide data for the assessment of barrier effectiveness in subseabed repositories for nuclear waste. The sediments tested include illite-rich and smectite-rich red clays from the mid-plate gyre region of the Pacific Ocean, reducing sediment from the continental shelf of the northwest coast of North America, and Atlantic Ocean sediments from the Southern Nares Abyssal Plain and the Great Meteor East region. Results show extremely small effective diffusion coefficients with values less than 10/sup -14/ m/sup 2/s/sup -1/ for plutonium, americium, curium, thorium, and tin. Radionuclides with high diffusion coefficients of approximately 10/sup -10/ m/sup 2/s/sup -1/ include the anionic species pertechnetate, TcO/sub 4//sup -/, iodide, I/sup -/, and selenite, SeO/sub 3//sup -2/. Uranyl(VI) and neptunyl(V) ions, which are stable in solution, have diffusion coefficients around 10/sup -12/ m/sup 2/s/sup -1/. The diffusion behavior of most radionuclides is similar in the oxygenated Pacific sediments and in the anoxic sediments from the Atlantic. An exception is neptunium, which is immobilized by Great Meteor East sediment, but has high mobility in Southern Nares Abyssal Plain sediment. Under stagnant conditions a 30 m thick sediment layer forms an effective geologic barrier isolating radionuclides in a subseabed repository from the biosphere. 13 refs., 5 figs., 1 tab.

Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation

Science.gov (United States)

Soisson, F.; Becquart, C. S.; Castin, N.; Domain, C.; Malerba, L.; Vincent, E.

2010-11-01

Atomistic Kinetic Monte Carlo (AKMC) simulations are a powerful tool to study the microstructural and microchemical evolution of alloys controlled by diffusion processes, under irradiation and during thermal ageing. In the framework of the FP6 Perfect program, two main approaches have been applied to binary and multicomponent iron based alloys. The first one is based on a diffusion model which takes into account vacancy and self-interstitial jumps, using simple rigid lattice approximation and broken-bond models to compute the point-defect jump frequencies. The corresponding parameters are fitted on ab initio calculations of a few typical configurations and migration barriers. The second method uses empirical potentials to compute a much larger number of migration barriers, including atomic relaxations, and Artificial Intelligence regression methods to predict the other ones. It is somewhat less rapid than the first one, but significantly more than simulations using "on-the-fly" calculations of all the barriers. We review here the recent advances and perspectives concerning these techniques.

Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation

International Nuclear Information System (INIS)

Soisson, F.; Becquart, C.S.; Castin, N.; Domain, C.; Malerba, L.; Vincent, E.

2010-01-01

Atomistic Kinetic Monte Carlo (AKMC) simulations are a powerful tool to study the microstructural and microchemical evolution of alloys controlled by diffusion processes, under irradiation and during thermal ageing. In the framework of the FP6 Perfect program, two main approaches have been applied to binary and multicomponent iron based alloys. The first one is based on a diffusion model which takes into account vacancy and self-interstitial jumps, using simple rigid lattice approximation and broken-bond models to compute the point-defect jump frequencies. The corresponding parameters are fitted on ab initio calculations of a few typical configurations and migration barriers. The second method uses empirical potentials to compute a much larger number of migration barriers, including atomic relaxations, and Artificial Intelligence regression methods to predict the other ones. It is somewhat less rapid than the first one, but significantly more than simulations using 'on-the-fly' calculations of all the barriers. We review here the recent advances and perspectives concerning these techniques.

Effect of dual-dielectric hydrogen-diffusion barrier layers on the performance of low-temperature processed transparent InGaZnO thin-film transistors

Science.gov (United States)

Tari, Alireza; Wong, William S.

2018-02-01

Dual-dielectric SiOx/SiNx thin-film layers were used as back-channel and gate-dielectric barrier layers for bottom-gate InGaZnO (IGZO) thin-film transistors (TFTs). The concentration profiles of hydrogen, indium, gallium, and zinc oxide were analyzed using secondary-ion mass spectroscopy characterization. By implementing an effective H-diffusion barrier, the hydrogen concentration and the creation of H-induced oxygen deficiency (H-Vo complex) defects during the processing of passivated flexible IGZO TFTs were minimized. A bilayer back-channel passivation layer, consisting of electron-beam deposited SiOx on plasma-enhanced chemical vapor-deposition (PECVD) SiNx films, effectively protected the TFT active region from plasma damage and minimized changes in the chemical composition of the semiconductor layer. A dual-dielectric PECVD SiOx/PECVD SiNx gate-dielectric, using SiOx as a barrier layer, also effectively prevented out-diffusion of hydrogen atoms from the PECVD SiNx-gate dielectric to the IGZO channel layer during the device fabrication.

Addimer diffusions on Si(100)

International Nuclear Information System (INIS)

Lee, Gun Do; Wang, C. Z.; Lu, Z. Y.; Ho, K. M.

1999-01-01

The diffusion pathways along the trough and between the trough and the dimer row on the Si(100) surface are investigated by tight-binding molecular dynamics calculations using the environment dependent tight-binding silicon potential and by ab initio calculations using the Car-Parrinello method. The studies discover new diffusion pathways consisting of rotation of addimer. The calculated energy barrier are in excellent agreement with experiment. The rotational diffusion pathway between the trough and the dimer row is much more energetically favorable than other diffusion pathways by parallel and perpendicular addimer. The new pathway along the trough is nearly same as the energy barrier of the diffusion pathway by dissociation of the addimer

Advances in diffuse malignant peritoneal mesothelioma

Directory of Open Access Journals (Sweden)

Tristan D. Yan

2011-12-01

Full Text Available Malignant mesothelioma is a highly aggressive neoplasm. The incidence of malignant mesothelioma is increasing worldwide. Diffuse malignant peritoneal mesothelioma (DMPM represents one-fourth of all mesotheliomas. Association of asbestos exposure with DMPM has been observed, especially in males. A great majority of patients present with abdominal pain and distension, caused by accumulation of tumors and ascitic fluid. In the past, DMPM was considered a pre-terminal condition; therefore attracted little attention. Patients invariably died from their disease within a year. Recently, several prospective trials have demonstrated median survival of 40 to 90 months and 5-year survival of 30% to 60% after the combined treatment using cytoreductive surgery and perioperative intraperitoneal chemotherapy. This improvement in survival has prompted new searches into the medical science related to DMPM, a disease previously ignored as uninteresting. This review article focuses on the key advances in the epidemiology, diagnosis, staging, treatments and prognosis of DMPM that have occurred in the past decade.

Study of Nickel Silicide as a Copper Diffusion Barrier in Monocrystalline Silicon Solar Cells

Energy Technology Data Exchange (ETDEWEB)

Kale, Abhijit; Beese, Emily; Saenz, Theresa; Warren, Emily; Nemeth, William; Young, David; Marshall, Alexander; Florent, Karine; Kurinec, Santosh K.; Agarwal, Sumit; Stradins, Pauls

2016-11-21

NiSi as a conductive diffusion barrier to silicon has been studied. We demonstrate that the NiSi films formed using the single step annealing process are as good as the two step process using XRD and Raman. Quality of NiSi films formed using e-beam Ni and electroless Ni process has been compared. Incomplete surface coverage and presence of constituents other than Ni are the main challenges with electroless Ni. We also demonstrate that Cu reduces the thermal stability of NiSi films. The detection of Cu has proven to be difficult due to temperature limitations.

Tunneling Characteristics Depending on Schottky Barriers and Diffusion Current in SiOC.

Science.gov (United States)

Oh, Teresa; Kim, Chy Hyung

2016-02-01

To obtain a diffusion current in SiOC, the aluminum doped zinc oxide films were deposited on SiOC/Si wafer by a RF magnetron sputtering. All the X-ray patterns of the SiOC films showed amorphous phases. The level of binding energy of Si atoms will lead to an additional potential modulation by long range Coulombic and covalent interactions with oxygen ions. The growth of the AZO film was affected by the characteristics of SiOC, resulting in similar trends in XPS spectra and a shift to higher AZO lattice d values than the original AZO d values in XRD analyses. The charges trapped by the defects at the interlayer between AZO and SiOC films induced the decreased mobility of carriers. In the absence of trap charges, AZO grown on SiOC film such as the sample prepared at O2 = 25 or 30 sccm, which has low charge carrier concentration and high mobility, showed high mobility in an ambipolar characteristic of oxide semiconductor due to the tunneling effect and diffusion current. The structural matching of an interface between AZO and amorphous SiOC enhanced the height of Schottky Barrier (SB), and then the mobility was increased by the tunneling effect from band to band through the high SB.

Integrin-based diffusion barrier separates membrane domains enabling the formation of microbiostatic frustrated phagosomes

Science.gov (United States)

Maxson, Michelle E; Naj, Xenia; O'Meara, Teresa R; Plumb, Jonathan D; Cowen, Leah E

2018-01-01

Candida albicans hyphae can reach enormous lengths, precluding their internalization by phagocytes. Nevertheless, macrophages engulf a portion of the hypha, generating incompletely sealed tubular phagosomes. These frustrated phagosomes are stabilized by a thick cuff of F-actin that polymerizes in response to non-canonical activation of integrins by fungal glycan. Despite their continuity, the surface and invaginating phagosomal membranes retain a strikingly distinct lipid composition. PtdIns(4,5)P2 is present at the plasmalemma but is not detectable in the phagosomal membrane, while PtdIns(3)P and PtdIns(3,4,5)P3 co-exist in the phagosomes yet are absent from the surface membrane. Moreover, endo-lysosomal proteins are present only in the phagosomal membrane. Fluorescence recovery after photobleaching revealed the presence of a diffusion barrier that maintains the identity of the open tubular phagosome separate from the plasmalemma. Formation of this barrier depends on Syk, Pyk2/Fak and formin-dependent actin assembly. Antimicrobial mechanisms can thereby be deployed, limiting the growth of the hyphae. PMID:29553370

Microstructure Evolution and Durability of Advanced Environmental Barrier Coating Systems for SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming; Evans, Laura J.; McCue, Terry R.; Harder, Bryan

2016-01-01

Environmental barrier coated SiC-SiC ceramic matrix composites (CMCs) systems will play a crucial role in next generation turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures with improved efficiency, reduce engine weight and cooling requirements. Advanced HfO2 and rare earth silicate environmental barrier coatings (EBCs), along with multicomponent hafnium and rare earth silicide EBC bond coats have been developed. The coating degradation mechanisms in the laboratory simulated engine thermal cycling, and fatigue-creep operating environments are also being investigated. This paper will focus on the microstructural and compositional evolutions of an advanced environmental barrier coating system on a SiC-SiC CMC substrate during the high temperature simulated durability tests, by using a Field Emission Gun Scanning Electron Microscopy, Energy Dispersive Spectroscopy (EDS) and Wavelength Dispersive Spectroscopy (WDS). The effects of Calcium-Magnesium-Alumino-Silicate (CMAS) from road sand or volcano-ash deposits on the degradation mechanisms of the environmental barrier coating systems will also be discussed. The detailed analysis results help understand the EBC-CMC system performance, aiming at the durability improvements to achieve more robust, prime-reliant environmental barrier coatings.

A multi-criteria approach to Great Barrier Reef catchment (Queensland, Australia) diffuse-source pollution problem.

Science.gov (United States)

Greiner, R; Herr, A; Brodie, J; Haynes, D

2005-01-01

This paper presents a multi-criteria based tool for assessing the relative impact of diffuse-source pollution to the Great Barrier Reef (GBR) from the river basins draining into the GBR lagoon. The assessment integrates biophysical and ecological data of water quality and pollutant concentrations with socio-economic information pertaining to non-point source pollution and (potential) pollutant impact. The tool generates scores for each river basin against four criteria, thus profiling the basins and enabling prioritization of management alternatives between and within basins. The results support policy development for pollution control through community participation, scientific data integration and expert knowledge contributed by people from across the catchment. The results specifically provided support for the Reef Water Quality Protection Plan, released in October 2003. The aim of the plan is to provide a framework for reducing discharge of sediment, nutrient and other diffuse-source loads and (potential) impact of that discharge and for prioritising management actions both between and within river basins.

Studies on an advanced repository system with enhanced engineered barriers (a framework)

International Nuclear Information System (INIS)

Fujiwara, A.; Tashiro, S.; Ikari, S.; Suzuki, A.

1993-01-01

In order to propose advanced designs of repositories with enhanced engineered barriers of relatively high radioactive wastes such as burnable poisons, channel boxes, control rods and highly irradiated metals, studies started in 1987 and completed the first phase in 1992. This paper presents the framework and brief results of the first phase. The studies set preliminary design concepts of the repositories with various combinations with engineered barriers and natural barriers for different models and locations such as a silo type in shallow land or a tunnel type in intermediate depth. Through the designs, four component technics were picked up and studied for (1) construction of the components in repository; (2) performance evaluation to realize repository design; (3) improvement of circumstances inside or around repository; and (4) surveillance of repository performance to realize the repository designs. Finally, some repository systems were provided using obtained results, and then the applicability and the economy were evaluated. The studies will continue to the second phase focusing on the long-term performance of the repositories

Validation of a Computational Model for the SLS Core Stage Oxygen Tank Diffuser Concept and the Low Profile Diffuser - An Advanced Development Design for the SLS

Science.gov (United States)

Brodnick, Jacob; Richardson, Brian; Ramachandran, Narayanan

2015-01-01

The Low Profile Diffuser (LPD) project originated as an award from the Marshall Space Flight Center (MSFC) Advanced Development (ADO) office to the Main Propulsion Systems Branch (ER22). The task was created to develop and test an LPD concept that could produce comparable performance to a larger, traditionally designed, ullage gas diffuser while occupying a smaller volume envelope. Historically, ullage gas diffusers have been large, bulky devices that occupy a significant portion of the propellant tank, decreasing the tank volume available for propellant. Ullage pressurization of spacecraft propellant tanks is required to prevent boil-off of cryogenic propellants and to provide a positive pressure for propellant extraction. To achieve this, ullage gas diffusers must slow hot, high-pressure gas entering a propellant tank from supersonic speeds to only a few meters per second. Decreasing the incoming gas velocity is typically accomplished through expansion to larger areas within the diffuser which has traditionally led to large diffuser lengths. The Fluid Dynamics Branch (ER42) developed and applied advanced Computational Fluid Dynamics (CFD) analysis methods in order to mature the LPD design from and initial concept to an optimized test prototype and to provide extremely accurate pre-test predictions of diffuser performance. Additionally, the diffuser concept for the Core Stage of the Space Launch System (SLS) was analyzed in a short amount of time to guide test data collection efforts of the qualification of the device. CFD analysis of the SLS diffuser design provided new insights into the functioning of the device and was qualitatively validated against hot wire anemometry of the exterior flow field. Rigorous data analysis of the measurements was performed on static and dynamic pressure data, data from two microphones, accelerometers and hot wire anemometry with automated traverse. Feasibility of the LPD concept and validation of the computational model were

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

Science.gov (United States)

Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada

2011-06-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

Ab initio calculation of diffusion barriers for Cu adatom hopping on Cu(1 0 0) surface and evolution of atomic configurations

International Nuclear Information System (INIS)

Zhang Wei; Gan Jie; Li Qian; Gao Kun; Sun Jian; Xu Ning; Ying Zhifeng; Wu Jiada

2011-01-01

The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.

An entropic barriers diffusion theory of decision-making in multiple alternative tasks.

Directory of Open Access Journals (Sweden)

Diego Fernandez Slezak

2018-03-01

Full Text Available We present a theory of decision-making in the presence of multiple choices that departs from traditional approaches by explicitly incorporating entropic barriers in a stochastic search process. We analyze response time data from an on-line repository of 15 million blitz chess games, and show that our model fits not just the mean and variance, but the entire response time distribution (over several response-time orders of magnitude at every stage of the game. We apply the model to show that (a higher cognitive expertise corresponds to the exploration of more complex solution spaces, and (b reaction times of users at an on-line buying website can be similarly explained. Our model can be seen as a synergy between diffusion models used to model simple two-choice decision-making and planning agents in complex problem solving.

4.0-nm-thick amorphous Nb–Ni film as a conducting diffusion barrier layer for integrating ferroelectric capacitor on Si

International Nuclear Information System (INIS)

Dai, X.H.; Guo, J.X.; Zhang, L.; Jia, D.M.; Qi, C.G.; Zhou, Y.; Li, X.H.; Shi, J.B.; Fu, Y.J.; Wang, Y.L.; Lou, J.Z.; Ma, L.X.; Zhao, H.D.; Liu, B.T.

2015-01-01

Highlights: • 4-nm-thick amorphous Nb–Ni film is first used as the conducting barrier layer. • No obvious interdiffusion/reaction can be found from the LSCO/PZT/LSCO/Nb–Ni/Si. • The LSCO/PZT/LSCO capacitor, measured at 5 V, possesses very good properties. • Ultrathin amorphous Nb–Ni film is ideal to fabricate silicon-based FRAM. - Abstract: We have successfully integrated La 0.5 Sr 0.5 CoO 3 /PbZr 0.4 Ti 0.6 O 3 /La 0.5 Sr 0.5 CoO 3 (LSCO/PZT/LSCO) capacitors on silicon substrate using a ∼4.0-nm-thick amorphous Nb–Ni film as the conducting diffusion barrier layer. Transmission electron microscopy technique confirms that the Nb–Ni film is still amorphous after fabrication of the capacitors, and the interfaces related to Nb–Ni are clean and sharp without any findable interdiffusion/reaction. The LSCO/PZT/LSCO capacitor, measured at 5 V, possesses very good properties, such as large remanent polarization of ∼22.1 μC/cm 2 , small coercive voltage of ∼1.27 V, good fatigue-resistance, and small pulse width dependence, implying that ultrathin amorphous Nb–Ni film is ideal as the conducting diffusion barrier layer to fabricate high-density silicon-based ferroelectric random access memories

4.0-nm-thick amorphous Nb–Ni film as a conducting diffusion barrier layer for integrating ferroelectric capacitor on Si

Energy Technology Data Exchange (ETDEWEB)

Dai, X.H. [Hebei Key Lab of Optic-electronic Information and Materials, College of Physics Science & Technology, Hebei University, Hebei 071002 (China); College of Electronic and Information Engineering, Hebei University of Technology, Tianjin 300401 (China); Guo, J.X.; Zhang, L.; Jia, D.M.; Qi, C.G.; Zhou, Y.; Li, X.H.; Shi, J.B.; Fu, Y.J.; Wang, Y.L.; Lou, J.Z. [Hebei Key Lab of Optic-electronic Information and Materials, College of Physics Science & Technology, Hebei University, Hebei 071002 (China); Ma, L.X. [Department of Physics, Blinn College, Bryan, TX 77805 (United States); Zhao, H.D. [College of Electronic and Information Engineering, Hebei University of Technology, Tianjin 300401 (China); Liu, B.T., E-mail: btliu@hbu.cn [Hebei Key Lab of Optic-electronic Information and Materials, College of Physics Science & Technology, Hebei University, Hebei 071002 (China)

2015-10-05

Highlights: • 4-nm-thick amorphous Nb–Ni film is first used as the conducting barrier layer. • No obvious interdiffusion/reaction can be found from the LSCO/PZT/LSCO/Nb–Ni/Si. • The LSCO/PZT/LSCO capacitor, measured at 5 V, possesses very good properties. • Ultrathin amorphous Nb–Ni film is ideal to fabricate silicon-based FRAM. - Abstract: We have successfully integrated La{sub 0.5}Sr{sub 0.5}CoO{sub 3}/PbZr{sub 0.4}Ti{sub 0.6}O{sub 3}/La{sub 0.5}Sr{sub 0.5}CoO{sub 3} (LSCO/PZT/LSCO) capacitors on silicon substrate using a ∼4.0-nm-thick amorphous Nb–Ni film as the conducting diffusion barrier layer. Transmission electron microscopy technique confirms that the Nb–Ni film is still amorphous after fabrication of the capacitors, and the interfaces related to Nb–Ni are clean and sharp without any findable interdiffusion/reaction. The LSCO/PZT/LSCO capacitor, measured at 5 V, possesses very good properties, such as large remanent polarization of ∼22.1 μC/cm{sup 2}, small coercive voltage of ∼1.27 V, good fatigue-resistance, and small pulse width dependence, implying that ultrathin amorphous Nb–Ni film is ideal as the conducting diffusion barrier layer to fabricate high-density silicon-based ferroelectric random access memories.

Investigation of Top/bottom Electrode and Diffusion Barrier Layer for PZT thick film MEMS Sensors

DEFF Research Database (Denmark)

Pedersen, Thomas; Hindrichsen, Christian Carstensen; Lou-Møller, R.

2007-01-01

In this work screen printed piezoelectric Ferroperm PZ26 lead zirconate titanate (PZT) thick film is used for two MEMS devices. A test structure is used to investigate several aspects regarding bottom and top electrodes. 450 nm ZrO2 thin film is found to be an insufficient diffusion barrier layer...... for thick film PZT sintered at 850degC. E-beam evaporated Al and Pt is patterned on PZT with a lift-off process with a line width down to 3 mum. The roughness of the PZT is found to have a strong influence on the conductance of the top electrode....

Hierarchy as a barrier to advancement for women in academic medicine.

Science.gov (United States)

Conrad, Peter; Carr, Phyllis; Knight, Sharon; Renfrew, Megan R; Dunn, Mary B; Pololi, Linda

2010-04-01

Research on barriers to professional advancement for women in academic medicine has not adequately considered the role of environmental factors and how the structure of organizations affects professional advancement and work experiences. This article examines the impact of the hierarchy, including both the organization's hierarchical structure and professionals' perceptions of this structure, in medical school organization on faculty members' experience and advancement in academic medicine. As part of an inductive qualitative study of faculty in five disparate U.S. medical schools, we interviewed 96 medical faculty at different career stages and in diverse specialties, using in-depth semistructured interviews, about their perceptions about and experiences in academic medicine. Data were coded and analysis was conducted in the grounded theory tradition. Our respondents saw the hierarchy of chairs, based on the indeterminate tenure of department chairs, as a central characteristic of the structure of academic medicine. Many faculty saw this hierarchy as affecting inclusion, reducing transparency in decision making, and impeding advancement. Indeterminate chair terms lessen turnover and may create a bottleneck for advancement. Both men and women faculty perceived this hierarchy, but women saw it as more consequential. The hierarchical structure of academic medicine has a significant impact on faculty work experiences, including advancement, especially for women. We suggest that medical schools consider alternative models of leadership and managerial styles, including fixed terms for chairs with a greater emphasis on inclusion. This is a structural reform that could increase opportunities for advancement especially for women in academic medicine.

Study of Diffusion Barrier for Solder/ n-Type Bi2Te3 and Bonding Strength for p- and n-Type Thermoelectric Modules

Science.gov (United States)

Lin, Wen-Chih; Li, Ying-Sih; Wu, Albert T.

2018-01-01

This paper investigates the interfacial reaction between Sn and Sn3Ag0.5Cu (SAC305) solder on n-type Bi2Te3 thermoelectric material. An electroless Ni-P layer successfully suppressed the formation of porous SnTe intermetallic compound at the interface. The formation of the layers between Bi2Te3 and Ni-P indicates that Te is the dominant diffusing species. Shear tests were conducted on both Sn and SAC305 solder on n- and p-type Bi2Te3 with and without a Ni-P barrier layer. Without a Ni-P layer, porous SnTe would result in a more brittle fracture. A comparison of joint strength for n- and p-type thermoelectric modules is evaluated by the shear test. Adding a diffusion barrier increases the mechanical strength by 19.4% in n-type and 74.0% in p-type thermoelectric modules.

Mechanical Properties and Durability of Advanced Environmental Barrier Coatings in Calcium-Magnesium-Alumino-Silicate Environments

Science.gov (United States)

Miladinovich, Daniel S.; Zhu, Dongming

2011-01-01

Environmental barrier coatings are being developed and tested for use with SiC/SiC ceramic matrix composite (CMC) gas turbine engine components. Several oxide and silicate based compositons are being studied for use as top-coat and intermediate layers in a three or more layer environmental barrier coating system. Specifically, the room temperature Vickers-indentation-fracture-toughness testing and high-temperature stability reaction studies with Calcium Magnesium Alumino-Silicate (CMAS or "sand") are being conducted using advanced testing techniques such as high pressure burner rig tests as well as high heat flux laser tests.

Rotation and diffusion of naphthalene on Pt(111)

Science.gov (United States)

Kolsbjerg, E. L.; Goubert, G.; McBreen, P. H.; Hammer, B.

2018-03-01

The behavior of naphthalene on Pt(111) surfaces is studied by combining insight from scanning tunneling microscopy (STM) and van der Waals enabled density functional theory. Adsorption, diffusion, and rotation are investigated by a series of variable temperature STM experiments revealing naphthalene ability to rotate on-site with ease with a rotational barrier of 0.69 eV. Diffusion to neighbouring sites is found to be more difficult. The experimental results are in good agreement with the theoretical investigations which confirm that the barrier for diffusion is slightly higher than the one for rotation. The theoretical barriers for rotation and translation are found to be 0.75 and 0.78 eV, respectively. An automatic mapping of the possible diffusion pathways reveals very detailed diffusion paths with many small local minima that would have been practically impossible to find manually. This automated procedure provides detailed insight into the preferred diffusion pathways that are important for our understanding of molecule-substrate interactions.

Creation of leak-proof silicon carbide diffusion barriers by means of pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Reinecke, A.-M.; Lustfeld, M.; Lippmann, W., E-mail: wolfgang.lippmann@tu-dresden.de; Hurtado, A.

2014-05-01

TRISO (tristructural isotropic) coated fuel particles are a crucial element of the HTR safety concept. While TRISO coated particles have been proven as a very efficient barrier for a large range of fission products in HTR experimental reactors, some particular fission products could still diffuse at a considerable rate. Most importantly, radioactive silver {sup 110m}Ag was found to be released from coated particles. In future HTRs with active components like a gas turbine in the primary circuit, such silver contamination may severely limit maintainability of these parts with the result of reduced life-time performance. So far, experimental analyses on silver diffusion through silicon carbide have led to contradictory results. In this work, an alternative method was used to generate silicon carbide layers as a basis for analysis of silver diffusion. With pulsed laser deposition (PLD), it is possible to generate coatings of different materials and various kinds of compounds. In particular, this technology allows the generation of layers very well defined with respect to their composition, purity and density. The microstructure can precisely be manipulated through various parameters. Based on different silicon carbide coatings with well-defined properties, we are going to investigate the silver diffusion process. Our goal is to derive the properties of an ideal silicon carbide coating preventing silver diffusion entirely. In this paper we present the major aspects of our work creating crystalline SiC layers as well as silver and CsI layers both on plane and spherical substrates. Analyses with X-ray diffraction, X-ray spectrometry and secondary ion mass spectrometry show that complex multilayer systems comprising a graphite substrate, a crystalline SiC layer and an intermediate silver layer were successfully created. Major challenges to approach in the future are the handling of high-level intrinsic stresses forming in the layer structure as well as the high vapour

Application of diffusion barriers to high modulus fibers

Science.gov (United States)

Veltri, R. D.; Douglas, F. C.; Paradis, E. L.; Galasso, F. S.

1977-01-01

Barrier layers were coated onto high-modulus fibers, and nickel and titanium layers were overcoated as simulated matrix materials. The objective was to coat the high-strength fibers with unreactive selected materials without degrading the fibers. The fibers were tungsten, niobium, and single-crystal sapphire, while the materials used as barrier coating layers were Al2O3, Y2O3, TiC, ZrC, WC with 14% Co, and HfO2. An ion-plating technique was used to coat the fibers. The fibers were subjected to high-temperature heat treatments to evaluate the effectiveness of the barrier layer in preventing fiber-metal interactions. Results indicate that Al2O3, Y2O3, and HfO2 can be used as barrier layers to minimize the nickel-tungsten interaction. Further investigation, including thermal cycling tests at 1090 C, revealed that HfO2 is probably the best of the three.

Advanced Environmental Barrier Coating Development for SiC-SiC Ceramic Matrix Composite Components

Science.gov (United States)

Zhu, Dongming; Harder, Bryan; Hurst, Janet B.; Halbig, Michael Charles; Puleo, Bernadette J.; Costa, Gustavo; Mccue, Terry R.

2017-01-01

This presentation reviews the NASA advanced environmental barrier coating (EBC) system development for SiC-SiC Ceramic Matrix Composite (CMC) combustors particularly under the NASA Environmentally Responsible Aviation, Fundamental Aeronautics and Transformative Aeronautics Concepts Programs. The emphases have been placed on the current design challenges of the 2700-3000F capable environmental barrier coatings for low NOX emission combustors for next generation turbine engines by using advanced plasma spray based processes, and the coating processing and integration with SiC-SiC CMCs and component systems. The developments also have included candidate coating composition system designs, degradation mechanisms, performance evaluation and down-selects; the processing optimizations using TriplexPro Air Plasma Spray Low Pressure Plasma Spray (LPPS), Plasma Spray Physical Vapor Deposition and demonstration of EBC-CMC systems. This presentation also highlights the EBC-CMC system temperature capability and durability improvements under the NASA development programs, as demonstrated in the simulated engine high heat flux, combustion environments, in conjunction with high heat flux, mechanical creep and fatigue loading testing conditions.

Electroless Ni-B plating on SiO2 with 3-aminopropyl-triethoxysilane as a barrier layer against Cu diffusion for through-Si via interconnections in a 3-dimensional multi-chip package

International Nuclear Information System (INIS)

Ikeda, Akihiro; Sakamoto, Atsushi; Hattori, Reiji; Kuroki, Yukinori

2009-01-01

Electroless Ni-B was plated on SiO 2 as a barrier layer against Cu diffusion for through-Si via (TSV) interconnections in a 3-dimensional multi-chip package. The electroless Ni-B was deposited on the entire area of the SiO 2 side wall of a deep via with vapor phase pre-deposition of 3-aminopropyl-triethoxysilane on the SiO 2 . The carrier lifetimes in the Si substrates plated with Ni-B/Cu did not decrease with an increase in annealing temperature up to 400 deg. C . The absence of degradation of carrier lifetimes indicates that Cu atoms did not diffuse into the Si through the Ni-B. The advantages of electroless Ni-B (good conformal deposition and forming an effective diffusion barrier against Cu) make it useful as a barrier layer for TSV interconnections in a 3-dimensional multi-chip package

Temperature dependence of copper diffusion in different thickness amorphous tungsten/tungsten nitride layer

Science.gov (United States)

Asgary, Somayeh; Hantehzadeh, Mohammad Reza; Ghoranneviss, Mahmood

2017-11-01

The amorphous W/WN films with various thickness (10, 30 and 40 nm) and excellent thermal stability were successfully prepared on SiO2/Si substrate with evaporation and reactive evaporation method. The W/WN bilayer has technological importance because of its low resistivity, high melting point, and good diffusion barrier properties between Cu and Si. The thermal stability was evaluated by X-ray diffractometer (XRD) and Scanning Electron Microscope (SEM). In annealing process, the amorphous W/WN barrier crystallized and this phenomenon is supposed to be the start of Cu atoms diffusion through W/WN barrier into Si. With occurrence of the high-resistive Cu3Si phase, the W/WN loses its function as a diffusion barrier. The primary mode of Cu diffusion is the diffusion through grain boundaries that form during heat treatments. The amorphous structure with optimum thickness is the key factor to achieve a superior diffusion barrier characteristic. The results show that the failure temperature increased by increasing the W/WN film thickness from 10 to 30 nm but it did not change by increasing the W/WN film thickness from 30 to 40 nm. It is found that the 10 and 40 nm W/WN films are good diffusion barriers at least up to 800°C while the 30 nm W/WN film shows superior properties as a diffusion barrier, but loses its function as a diffusion barrier at about 900°C (that is 100°C higher than for 10 and 40 nm W/WN films).

Impact of diffusion barriers to small cytotoxic molecules on the efficacy of immunotherapy in breast cancer.

Directory of Open Access Journals (Sweden)

Hiranmoy Das

Full Text Available Molecular-focused cancer therapies, e.g., molecularly targeted therapy and immunotherapy, so far demonstrate only limited efficacy in cancer patients. We hypothesize that underestimating the role of biophysical factors that impact the delivery of drugs or cytotoxic cells to the target sites (for associated preferential cytotoxicity or cell signaling modulation may be responsible for the poor clinical outcome. Therefore, instead of focusing exclusively on the investigation of molecular mechanisms in cancer cells, convection-diffusion of cytotoxic molecules and migration of cancer-killing cells within tumor tissue should be taken into account to improve therapeutic effectiveness. To test this hypothesis, we have developed a mathematical model of the interstitial diffusion and uptake of small cytotoxic molecules secreted by T-cells, which is capable of predicting breast cancer growth inhibition as measured both in vitro and in vivo. Our analysis shows that diffusion barriers of cytotoxic molecules conspire with γδ T-cell scarcity in tissue to limit the inhibitory effects of γδ T-cells on cancer cells. This may increase the necessary ratios of γδ T-cells to cancer cells within tissue to unrealistic values for having an intended therapeutic effect, and decrease the effectiveness of the immunotherapeutic treatment.

Considering the use of polyethylene vapour barriers in temperate climates

Energy Technology Data Exchange (ETDEWEB)

Lawton, M.D. [Morrison Hershfield Ltd., Vancouver, BC (Canada); Brown, W.C. [Morrison Hershfield Ltd., Ottawa, ON (Canada)

2003-07-01

Most building envelope assemblies in Canada must include a vapour barrier in order to comply with Canadian building codes. The installation of sheet polyethylene between the studs and the interior sheathing has been the most common method because it provides more diffusion resistance than necessary to control condensation within a building envelope assembly. It has been suggested that the presence of a polyethylene vapour barrier on the warm-in-winter side of the insulation may actually cause moisture problems because a very low permeance material increases average moisture levels. This paper examined the theory that a vapour barrier at this location restricts drying of moisture that enters the building from outside. Pacific coastal regions of Canada and the United States were presented as examples. Other ways that a polyethylene vapour barrier affects wall performance were also presented. The advanced hygrothermal model HygIRC, developed by Canada's National Research Council, was used to simulate the performance of a wall assembly. Results indicate that eliminating the low permeance polyethylene vapour barrier does not necessarily reduce the risk of moisture problems. Removal of the vapour barrier may have some negative effects, such as increased risk of periodic moisture accumulation and mold growth on paper-faced gypsum board. 7 refs., 2 tabs., 7 figs.

Barriers and strategies to an iterative model of advance care planning communication.

Science.gov (United States)

Ahluwalia, Sangeeta C; Bekelman, David B; Huynh, Alexis K; Prendergast, Thomas J; Shreve, Scott; Lorenz, Karl A

2015-12-01

Early and repeated patient-provider conversations about advance care planning (ACP) are now widely recommended. We sought to characterize barriers and strategies for realizing an iterative model of ACP patient-provider communication. A total of 2 multidisciplinary focus groups and 3 semistructured interviews with 20 providers at a large Veterans Affairs medical center. Thematic analysis was employed to identify salient themes. Barriers included variation among providers in approaches to ACP, lack of useful information about patient values to guide decision making, and ineffective communication between providers across settings. Strategies included eliciting patient values rather than specific treatment choices and an increased role for primary care in the ACP process. Greater attention to connecting providers across the continuum, maximizing the potential of the electronic health record, and linking patient experiences to their values may help to connect ACP communication across the continuum. © The Author(s) 2014.

Calibration of diffusion barrier charcoal detectors and application to radon sampling in dwellings

International Nuclear Information System (INIS)

Montero C, M.E.; Colmenero S, L.; Villalba, L.; Saenz P, J.; Cano J, A.; Moreno B, A.; Renteria V, M.; Herrera P, E.F.; Cruz G, S. De la; Lopez M, A.

2003-01-01

Some calibration conditions of diffusion barrier charcoal canister (DBCC) detectors for measuring radon concentration in air were studied. A series of functional expressions and graphs were developed to describe relationship between radon concentration in air and the activity adsorbed in DBCC, when placed in small chambers. A semi-empirical expression for the DBCC calibration was obtained, based on the detector integration time and the adsorption coefficient of radon on activated charcoal. Both, the integration time for 10 % of DBCC of the same batch, and the adsorption coefficient of radon for the activated charcoal used in these detectors, were experimentally determined. Using these values as the calibration parameters, a semi-empirical calibration function was used for the interpretation of the radon activities in the detectors used for sampling more than 200 dwellings in the major cities of the state of Chihuahua, Mexico. (Author)

Calibration of diffusion barrier charcoal detectors and application to radon sampling in dwellings

Energy Technology Data Exchange (ETDEWEB)

Montero C, M.E.; Colmenero S, L.; Villalba, L.; Saenz P, J.; Cano J, A.; Moreno B, A.; Renteria V, M.; Herrera P, E.F. [Cento de Investigacion en Materiales Avanzados, S. C. Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua, (Mexico); Cruz G, S. De la [Facultad de Enfermeria y Nutriologia, Universidad Autonoma de Chihuahua, Av. Politecnico Nacional 2714, Chihuahua, (Mexico); Lopez M, A. [Instituto Nacional de Investigaciones Nucleares, Apartado Postal 18-1027, 11801 Mexico D.F. (Mexico)

2003-07-01

Some calibration conditions of diffusion barrier charcoal canister (DBCC) detectors for measuring radon concentration in air were studied. A series of functional expressions and graphs were developed to describe relationship between radon concentration in air and the activity adsorbed in DBCC, when placed in small chambers. A semi-empirical expression for the DBCC calibration was obtained, based on the detector integration time and the adsorption coefficient of radon on activated charcoal. Both, the integration time for 10 % of DBCC of the same batch, and the adsorption coefficient of radon for the activated charcoal used in these detectors, were experimentally determined. Using these values as the calibration parameters, a semi-empirical calibration function was used for the interpretation of the radon activities in the detectors used for sampling more than 200 dwellings in the major cities of the state of Chihuahua, Mexico. (Author)

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

Science.gov (United States)

Good, Brian

2011-01-01

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Side chain variations radically alter the diffusion of poly(2-alkyl-2-oxazoline) functionalised nanoparticles through a mucosal barrier.

Science.gov (United States)

Mansfield, Edward D H; de la Rosa, Victor R; Kowalczyk, Radoslaw M; Grillo, Isabelle; Hoogenboom, Richard; Sillence, Katy; Hole, Patrick; Williams, Adrian C; Khutoryanskiy, Vitaliy V

2016-08-16

Functionalised nanomaterials are gaining popularity for use as drug delivery vehicles and, in particular, mucus penetrating nanoparticles may improve drug bioavailability via the oral route. To date, few polymers have been investigated for their muco-penetration, and the effects of systematic structural changes to polymer architectures on the penetration and diffusion of functionalised nanomaterials through mucosal tissue have not been reported. We investigated the influence of poly(2-oxazoline) alkyl side chain length on nanoparticle diffusion; poly(2-methyl-2-oxazoline), poly(2-ethyl-2-oxazoline), and poly(2-n-propyl-2-oxazoline) were grafted onto the surface of thiolated silica nanoparticles and characterised by FT-IR, Raman and NMR spectroscopy, thermogravimetric analysis, and small angle neutron scattering. Diffusion coefficients were determined in water and in a mucin dispersion (using Nanoparticle Tracking Analysis), and penetration through a mucosal barrier was assessed using an ex vivo fluorescence technique. The addition of a single methylene group in the side chain significantly altered the penetration and diffusion of the materials in both mucin dispersions and mucosal tissue. Nanoparticles functionalised with poly(2-methyl-2-oxazoline) were significantly more diffusive than particles with poly(2-ethyl-2-oxazoline) while particles with poly(2-n-propyl-2-oxazoline) showed no significant increase compared to the unfunctionalised particles. These data show that variations in the polymer structure can radically alter their diffusive properties with clear implications for the future design of mucus penetrating systems.

Study on solid-liquid interfacial phenomena and advancement of migration model in diffusion and migration processes of radionuclides in buffer materials and rock matrixes for disposal of radioactive wastes

International Nuclear Information System (INIS)

Sato, Haruo

2004-06-01

This study was performed particularly focused on diffusive pathway and effects receive when nuclides and ions diffuse near solid-liquid interface, among various interactions occurring in the diffusion process of nuclides and ions in buffer material and rock matrix composing multi-barrier system of the geological disposal of radioactive wastes. This study was carried out with the following objectives. (1) To clarify the effects of porewater chemistry (particularly ionic strength) and changes in diffusive pathway and micropore structure on diffusion from the viewpoint of thermodynamics. (2) To obtain information with regard to porewater properties, particularly viscosity. (3) To apply for predictions of diffusivities and diffusion process by developing a model concerning electrostatic interaction with ions near solid-liquid interface and viscosity distribution. This report consists of 9 chapters. Chapter 1 is the introduction, in which the background and objectives for this study are explained. In chapter 2, it is reported on physical and chemical properties for sandstone (Shirahama sandstone), of which fundamental data and information for diffusion is quite limited and physical properties for bentonite, which is important as a buffer material. In chapter 3, it is discussed on the results studied using tritiated water and deuterated water for the orientation properties of clay particles and the effect of the orientation of clay particles on diffusive pathway in compacted bentonite. In chapter 4, it is discussed on the effects of the orientation of clay particles and ionic strength on diffusivities and activation energies for Cs + and I - ions in compacted bentonite. In chapter 5, it is reported on the diffusion properties of Cs + and I - ions in sandstone obtained by a non-steady state diffusion method and it is discussed on applicability of a solid-liquid interfacial model based on electric double layer theory. In chapter 6, it is reported on thermodynamic

Experimental Investigation of Radio-Turbulence Induced Diffusion -- Final Report

Energy Technology Data Exchange (ETDEWEB)

Spitz, H. B.; Usman, S.

2005-07-07

The outcome of this research project suggests that the transport of radon in water is significantly greater than that predicted solely by molecular diffusion. The original study was related to the long term storage of {sup 226}Ra-bearing sand at the DOE Fernald site and determining whether a barrier of water covering the sand would be effective in reducing the emanation of {sup 222}Rn from the sand. Initial observations before this study found the transport of radon in water to be greater than that predicted solely by molecular diffusion. Fick's law on diffusion was used to model the transport of radon in water including the impact associated with radioactive decay. Initial measurements suggested that the deposition of energy in water associated with the radioactive decay process influences diffusion and enhances transport of radon. A multi-region, one-dimensional, steady-state transport model was used to analyze the movement of radon through a sequential column of air, water and air. An effective diffusion coefficient was determined by varying the thickness of the water column and measuring the time for transport of {sup 222}Rn through of the water barrier. A one-region, one-dimensional transient diffusion equation was developed to investigate the build up of radon at the end of the water column to the time when a steady-state, equilibrium condition was achieved. This build up with time is characteristic of the transport rate of radon in water and established the basis for estimating the effective diffusion coefficient for {sup 222}Rn in water. Several experiments were conducted using different types and physical arrangements of water barriers to examine how radon transport is influenced by the water barrier. Results of our measurements confirm our theoretical analyses which suggest that convective forces other than pure molecular diffusion impact the transport of {sup 222}Rn through the water barrier. An effective diffusion coefficient is defined that

Studies on diffusion of 137Cs in cement mortar

International Nuclear Information System (INIS)

Takebe, Shinichi; Shimooka, Kenji; Wadachi, Yoshiki; Kuramoto, Yuzuru.

1989-12-01

Penetration experiment of 137 Cs into the impermeable cement mortar which has been treated by the impermeable reagent (XYPEX reagent) was carried out in order to advance the performance of engineered barrier for Low Level Radioactive Waste. The result showed that the radioactive concentration at deeper region in the impermeable cement mortar specimen was decreased about 1 order of magnitude below that in the untreated specimen. Diffusion coefficient calculated from the radioactive concentration of 137 Cs in the cement mortar specimen was 9.1 x 10 -5 cm 2 /day for untreated cement mortar specimen and 4.0 x 10 -5 cm 2 /day for the impermeable cement mortar specimen, respectively. Treatment of cement mortar by the impermeable reagent was found to be effective to reduce the value of appearent diffusion coefficient for 137 Cs in the cement mortar. (author)

Calcium-Magnesium-Alumino-Silicates (CMAS) Reaction Mechanisms and Resistance of Advanced Turbine Environmental Barrier Coatings for SiC/SiC Ceramic Matrix Composites

Science.gov (United States)

Zhu, Dongming; Costa, Gustavo; Harder, Bryan J.; Wiesner, Valerie L.; Hurst, Janet B.; Puleo, Bernadette J.

2017-01-01

Environmental barrier coatings (EBCs) and SiC/SiC ceramic matrix composites (CMCs) systems will play a crucial role in future turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures, reduce engine weight and cooling requirements. The development of prime-reliant environmental barrier coatings is an essential requirement to enable the applications of the 2700-3000 F EBC - CMC systems. This presentation primarily focuses on the reaction mechanisms of advanced NASA environmental barrier coating systems, when in contact with Calcium-Magnesium Alumino-Silicates (CMAS) at high temperatures. Advanced oxide-silicate defect cluster environmental barrier coatings are being designed for ultimate balanced controls of the EBC temperature capability and CMAS reactivity, thus improving the CMAS resistance. Further CMAS mitigation strategies are also discussed.

Surface self-diffusion of adatom on Pt cluster with truncated octahedron structure

International Nuclear Information System (INIS)

Yang Jianyu; Hu Wangyu; Chen Shuguang

2010-01-01

Surface diffusion of single Pt adatom on Pt cluster with truncated octahedron structure is investigated through a combination of molecular dynamics and nudged elastic band method. Using an embedded atom method to describe the atomic interactions, the minimum energy paths are determined and the energy barriers for adatom diffusion across and along step are evaluated. The diffusion of adatom crossing step edge between {111} and {100} facets has a surprisingly low barrier of 0.03 eV, which is 0.12 eV lower than the barrier for adatom diffusion from {111} to neighboring {111} facet. Owing to the small barrier of adatom diffusion across the step edge between {111} and {100} facets, the diffusion of adatom along the step edge cannot occur. The molecular dynamics simulations at low temperatures also support these results. Our results show that mass transport will prefer step with {100} microfacet and the Pt clusters can have only {111} facets in epitaxial growth.

Mechanisms of self-diffusion on Pt(110)

DEFF Research Database (Denmark)

Lorensen, Henrik Qvist; Nørskov, Jens Kehlet; Jacobsen, Karsten Wedel

1999-01-01

The self-diffusion of Pt on the missing row reconstructed Pt(110) surface is discussed based on density functional calculations of activation energy barriers. Different competing diffusion mechanisms are considered and we show that several different diffusion paths along the reconstruction troughs...

Evolution of thermal ion transport barriers in reversed shear/ optimised shear plasmas

International Nuclear Information System (INIS)

Voitsekhovitch, I.; Garbet, X.; Moreau, D.; Bush, C.E.; Budny, R.V.; Gohil, P.; Kinsey, J.E.; Talyor, T.S.; Litaudon, X.

2001-01-01

The effects of the magnetic and ExB rotation shears on the thermal ion transport in advanced tokamak scenarios are analyzed through the predictive modelling of the evolution of internal transport barriers. Such a modelling is performed with an experimentally validated L-mode thermal diffusivity completed with a semi-empirical shear correction which is based on simple theoretical arguments from turbulence studies. A multi-machine test of the model on relevant discharges from the ITER Data Base (TFTR, DIII-D and JET) is presented. (author)

Diffusion of N adatoms on the Fe(100) surface

DEFF Research Database (Denmark)

Pedersen, M. Ø.; Österlund, L.; Mortensen, Jens Jørgen

2000-01-01

The diffusion of individual N adatoms on Fe(100) has been studied using scanning tunneling microscopy and ab initio density functional theory (DFT) calculations. The measured diffusion barrier for isolated N adatoms is E-d = (0.92 +/- 0.04) eV, with a prefactor of nu(0) = 4.3 x 10(12) s(-1), which...... is in quantitative agreement with the DFT calculations. Thr; diffusion is strongly coupled to lattice distortions. and. as a consequence, the presence of other N adatoms introduces an anisotropy in the diffusion. Based on experimentally determined values of the diffusion barriers and adsorbate......-adsorbate: interactions, the potential energy surface experienced by a N adatom is determined....

Analyses on the U-Mo/Al Chemical Interaction and the Effects of Diffusion Barrier Coatings

Energy Technology Data Exchange (ETDEWEB)

Ryu, Ho Jin; Kim, Woo Jeong; Cho, Woo Hyung; Jeong, Yong Jin; Lee, Yoon Sang; Park, Jong Man; Kim, Chang Kyu [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-05-15

While many HEU-fueled research reactors have been converted by adopting LEU U{sub 3}Si{sub 2} fuel in harmony with the Reduced Enrichment for Research and Test Reactors (RERTR) program, some high performance research reactors still need the development of advanced fuels with higher uranium densities. Currently, gamma-phase U-Mo alloys are considered promising candidates to be used as high uranium density fuel for the high performance reactors. For the production of UMo alloy powder, the centrifugal atomization technology developed by KAERI has been considered the most promising way because of high yield production and excellent powder quality when compared with other possible methods such as grinding, machining or hydriding-dehydriding. However, severe pore formation associated with an extensive interaction between the U-Mo and Al matrix, although the irradiation performance of U-Mo itself showed most stable, delay the fuel qualification of UMo fuel for high performance research reactors. Because the reaction products, i.e. uranium aluminides (UAlx), is less dense than the mixed reactants, the volume of the fuel meat increases after formation of interaction layer(IL). In addition to the impact on the swelling performance, the reaction layers between the U-Mo and Al matrix induces a degradation of the thermal conductivities of the U-Mo/Al dispersion fuels. The chemical interaction between the U-Mo and Al matrix are analyzed in this study to find remedies to reduce the growth of the interaction layers during irradiation. In addition, various coating technologies for the formation of diffusion barriers on U-Mo particles are proposed as a result of the analyses

Plasma treatment of detonation and HPHT nanodiamonds in diffuse coplanar surface barrier discharge in H.sub.2./sub./N.sub.2./sub. flow

Czech Academy of Sciences Publication Activity Database

Jirásek, Vít; Čech, J.; Kozak, Halyna; Artemenko, Anna; Černák, M.; Kromka, Alexander

2016-01-01

Roč. 213, č. 10 (2016), s. 2680-2686 ISSN 1862-6300 R&D Projects: GA ČR(CZ) GA14-04790S Institutional support: RVO:68378271 Keywords : amination * diamond * diffuse coplanar surface barrier discharge * nanomaterials * surface functionalization Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.775, year: 2016

Distributed electrochemical sensors: recent advances and barriers to market adoption.

Science.gov (United States)

Hoekstra, Rafael; Blondeau, Pascal; Andrade, Francisco J

2018-07-01

Despite predictions of their widespread application in healthcare and environmental monitoring, electrochemical sensors are yet to be distributed at scale, instead remaining largely confined to R&D labs. This contrasts sharply with the situation for physical sensors, which are now ubiquitous and seamlessly embedded in the mature ecosystem provided by electronics and connectivity protocols. Although chemical sensors could be integrated into the same ecosystem, there are fundamental issues with these sensors in the three key areas of analytical performance, usability, and affordability. Nevertheless, advances are being made in each of these fields, leading to hope that the deployment of automated and user-friendly low-cost electrochemical sensors is on the horizon. Here, we present a brief survey of key challenges and advances in the development of distributed electrochemical sensors for liquid samples, geared towards applications in healthcare and wellbeing, environmental monitoring, and homeland security. As will be seen, in many cases the analytical performance of the sensor is acceptable; it is usability that is the major barrier to commercial viability at this moment. Were this to be overcome, the issue of affordability could be addressed. Graphical Abstract ᅟ.

Strong trapping and slow diffusion of helium in a tungsten grain boundary

Energy Technology Data Exchange (ETDEWEB)

Wang, Xin-Xin [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); School of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Niu, Liang-Liang, E-mail: nliangli@umich.edu [Department of Physics, Beihang University, Beijing 100191 (China); Department of Nuclear Engineering and Radiological Science, University of Michigan, Ann Arbor, MI 48109 (United States); Wang, Shaoqing [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2017-04-15

We have investigated the segregation, trapping and diffusion of He in a ∑3<110>{111} W grain boundary (GB) using combined techniques of ab initio and classical atomistic simulations. We show that, with an average segregation energy of −3.20 eV, the strong He trapping can be attributed to a GB interstitial trapping or a vacancy trapping mechanism, while an average energy barrier of 1.97 eV leads to a slow diffusion of He in the GB plane. We further reveal by molecular dynamics simulations that the He diffusion will be dictated by GB migration through the motion of GB disconnections. Interestingly, we also observe a He-induced GB structural transition in classical simulations. The present work suggests that the GB does not provide fast transport channel for He, providing useful reference for the possible application of polycrystalline W under He irradiation in advanced nuclear fusion reactors.

Evolution of interfacial toughness of a thermal barrier system with a Pt-diffused {gamma}/{gamma}' bond coat

Energy Technology Data Exchange (ETDEWEB)

Zhao, X.; Liu, J. [School of Materials, University of Manchester, Manchester M1 7HS (United Kingdom); Rickerby, D.S.; Jones, R.J. [Rolls-Royce Plc., PO Box 31, Derby DE24 8BJ (United Kingdom); Xiao, P., E-mail: ping.xiao@manchester.ac.uk [School of Materials, University of Manchester, Manchester M1 7HS (United Kingdom)

2011-09-15

A strain-to-fail method has been employed to examine the interfacial adhesion of electron beam-physical vapor deposited thermal barrier coatings (TBCs) with a Pt-diffused {gamma}/{gamma}' bond coat. Based on a previously established model, the estimated interfacial toughness decreases with oxidation time of TBCs. Furthermore, the interfacial toughness value varies considerably with the use of different Young's moduli in the model. It is believed that the modulus obtained from beam bending represents the columnar structure of the TBC. In this case, the mode I interfacial toughness was found to vary from 10 J m{sup -2} for as-deposited TBCs to 0.79 J m{sup -2} for the 60 h oxidized TBCs. The degradation of adhesion could be attributed to the defect formation and impurity segregation at the TGO/bond coat interface, which is associated with the diffusion of Pt.

Modeling the oxygen diffusion of nanocomposite-based food packaging films.

Science.gov (United States)

Bhunia, Kanishka; Dhawan, Sumeet; Sablani, Shyam S

2012-07-01

Polymer-layered silicate nanocomposites have been shown to improve the gas barrier properties of food packaging polymers. This study developed a computer simulation model using the commercial software, COMSOL Multiphysics to analyze changes in oxygen barrier properties in terms of relative diffusivity, as influenced by configuration and structural parameters that include volume fraction (φ), aspect ratio (α), intercalation width (W), and orientation angle (θ) of nanoparticles. The simulation was performed at different φ (1%, 3%, 5%, and 7%), α (50, 100, 500, and 1000), and W (1, 3, 5, and 7 nm). The θ value was varied from 0° to 85°. Results show that diffusivity decreases with increasing volume fraction, but beyond φ = 5% and α = 500, diffusivity remained almost constant at W values of 1 and 3 nm. Higher relative diffusivity coincided with increasing W and decreasing α value for the same volume fraction of nanoparticles. Diffusivity increased as the rotational angle increased, gradually diminishing the influence of nanoparticles. Diffusivity increased drastically as θ changed from 15° to 30° (relative increment in relative diffusivity was almost 3.5 times). Nanoparticles with exfoliation configuration exhibited better oxygen barrier properties compared to intercalation. The finite element model developed in this study provides insight into oxygen barrier properties for nanocomposite with a wide range of structural parameters. This model can be used to design and manufacture an ideal nanocomposite-based food packaging film with improved gas barrier properties for industrial applications. The model will assist in designing nanocomposite polymeric structures of desired gas barrier properties for food packaging applications. In addition, this study will be helpful in formulating a combination of nanoparticle structural parameters for designing nanocomposite membranes with selective permeability for the industrial applications including membrane

Ion-barrier for memristors/ReRAM and methods thereof

Science.gov (United States)

Haase, Gad S.

2017-11-28

The present invention relates to memristive devices including a resistance-switching element and a barrier element. In particular examples, the barrier element is a monolayer of a transition metal chalcogenide that sufficiently inhibits diffusion of oxygen atoms or ions out of the switching element. As the location of these atoms and ions determine the state of the device, inhibiting diffusion would provide enhanced state retention and device reliability. Other types of barrier elements, as well as methods for forming such elements, are described herein.

Planar Dirac diffusion

International Nuclear Information System (INIS)

Leo, Stefano de; Rotelli, Pietro

2009-01-01

We present the results of the planar diffusion of a Dirac particle by step and barrier potentials, when the incoming wave impinges at an arbitrary angle with the potential. Except for right-angle incidence this process is characterized by the appearance of spin flip terms. For the step potential, spin flip occurs for both transmitted and reflected waves. However, we find no spin flip in the transmitted barrier result. This is surprising because the barrier result may be derived directly from a two-step calculation. We demonstrate that the spin flip cancellation indeed occurs for each ''particle'' (wave packet) contribution. (orig.)

Bicarbonate diffusion through mucus.

Science.gov (United States)

Livingston, E H; Miller, J; Engel, E

1995-09-01

The mucus layer overlying duodenal epithelium maintains a pH gradient against high luminal acid concentrations. Despite these adverse conditions, epithelial surface pH remains close to neutrality. The exact nature of the gradient-forming barrier remains unknown. The barrier consists of mucus into which HCO3- is secreted. Quantification of the ability of HCO3- to establish and maintain the gradient depends on accurate measurement of this ion's diffusion coefficient through mucus. We describe new experimental and mathematical methods for diffusion measurement and report diffusion coefficients for HCO3- diffusion through saline, 5% mucin solutions, and rat duodenal mucus. The diffusion coefficients were 20.2 +/- 0.10, 3.02 +/- 0.31, and 1.81 +/- 0.12 x 10(-6) cm2/s, respectively. Modeling of the mucobicarbonate layer with this latter value suggests that for conditions of high luminal acid strength the neutralization of acid by HCO3- occurs just above the epithelial surface. Under these conditions the model predicts that fluid convection toward the lumen could be important in maintaining the pH gradient. In support of this hypothesis we were able to demonstrate a net luminal fluid flux of 5 microliters.min-1.cm-2 after perfusion of 0.15 N HCl in the rat duodenum.

Knowledge barriers to PACS adoption and implementation in hospitals.

Science.gov (United States)

Paré, Guy; Trudel, Marie-Claude

2007-01-01

Drawing on the classical theory of diffusion of innovations advanced by Rogers [E.M. Rogers, Diffusion of Innovations, 4th ed., Free Press, New York, NY, 1995] and on the theory of barriers to innovation [P. Attewell, Technology diffusion and organizational learning: the case of business computing. Organ. Sci. 3 (1992) 1-19; H. Tanriverdi, C.S. Iacono, Knowledge barriers to diffusion of telemedicine. Proceedings of the 20th International Conference on Information Systems, Charlotte, NC, 1999, pp. 39-50; S. Nambisan, Y.-M. Wang, Roadblocks to web technology adoption? Commun. ACM, 42 (1) (1999) 98-101], this study seeks a better understanding of challenges faced in PACS implementations in hospitals and of the strategies required to ensure their success. To attain this objective, we describe and analyze the process used to adopt and implement PACS at two Canadian hospitals. Our findings clearly demonstrate the importance of treating any PACS deployment not simply as a rollout of new technology but as a project that will transform the organization. Proponents of these projects must not lose sight of the fact that, even if technological complexity represents a significant issue, it must not garner all the project team's attention. This situation is even more dangerous, inasmuch as the greatest risk to the implementation often lies elsewhere. It would also appear to be crucial to anticipate and address organizational and behavioral challenges from the very first phase of the innovation process, in order to ensure that all participants will be committed to the project. In order to maximize the likelihood of PACS success, it appears crucial to adopt a proactive implementation strategy, one that takes into consideration all the technical, economic, organizational, and human factors, and does so from the first phase of the innovation process.

Development of Advanced Environmental Barrier Coatings for SiC/SiC Ceramic Matrix Composites: Path Toward 2700 F Temperature Capability and Beyond

Science.gov (United States)

Zhu, Dongming; Harder, Bryan; Hurst, Janet B.; Good, Brian; Costa, Gustavo; Bhatt, Ramakrishna T.; Fox, Dennis S.

2017-01-01

Advanced environmental barrier coating systems for SiC-SiC Ceramic Matrix Composite (CMC) turbine and combustor hot section components are currently being developed to meet future turbine engine emission and performance goals. One of the significant coating development challenges is to achieve prime-reliant environmental barrier coating systems to meet the future 2700F EBC-CMC temperature stability and environmental durability requirements. This presentation will emphasize recent NASA environmental barrier coating system testing and down-selects, particularly the development path and properties towards 2700-3000F durability goals by using NASA hafnium-hafnia-rare earth-silicon-silicate composition EBC systems for the SiC-SiC CMC turbine component applications. Advanced hafnium-based compositions for enabling next generation EBC and CMCs capabilities towards ultra-high temperature ceramic coating systems will also be briefly mentioned.

The rate of diffusion into advanced gas cooled reactor moderator bricks: an equivalent cylinder model

International Nuclear Information System (INIS)

Kyte, W.S.

1980-01-01

The graphite moderator bricks which make up the moderator of an advanced gas-cooled nuclear reactor (AGR) are of many different and complex shapes. Many physico-chemical processes that occur within these porous bricks include a diffusional step and thus to model these processes it is necessary to solve the diffusion equation (with chemical reaction) in a porous medium of complex shape. A finite element technique is applied to calculating the rate at which nitrogen diffuses into and out of the porous moderator graphite during operation of a shutdown procedure for an AGR. However, the finite element method suffers from several disadvantages that undermine its general usefulness for calculating rates of diffusion in AGR moderator cores. A model which overcomes some of these disadvantages is presented (the equivalent cylinder model) and it is shown that this gives good results for a variety of different boundary and initial conditions

SC lipid model membranes designed for studying impact of ceramide species on drug diffusion and permeation--part II: diffusion and permeation of model drugs.

Science.gov (United States)

Ochalek, M; Podhaisky, H; Ruettinger, H-H; Wohlrab, J; Neubert, R H H

2012-10-01

The barrier function of two quaternary stratum corneum (SC) lipid model membranes, which were previously characterized with regard to the lipid organization, was investigated based on diffusion studies of model drugs with varying lipophilicities. Diffusion experiments of a hydrophilic drug, urea, and more lipophilic drugs than urea (i.e. caffeine, diclofenac sodium) were conducted using Franz-type diffusion cells. The amount of permeated drug was analyzed using either HPLC or CE technique. The subjects of interest in the present study were the investigation of the influence of physicochemical properties of model drugs on their diffusion and permeation through SC lipid model membranes, as well as the study of the impact of the constituents of these artificial systems (particularly ceramide species) on their barrier properties. The diffusion through both SC lipid model membranes and the human SC of the most hydrophilic model drug, urea, was faster than the permeation of the more lipophilic drugs. The slowest rate of permeation through SC lipid systems occurred in the case of caffeine. The composition of SC lipid model membranes has a significant impact on their barrier function. Model drugs diffused and permeated faster through Membrane II (presence of Cer [EOS]). In terms of the barrier properties, Membrane II is much more similar to the human SC than Membrane I. Copyright © 2012 Elsevier B.V. All rights reserved.

CMAS Interactions with Advanced Environmental Barrier Coatings Deposited via Plasma Spray- Physical Vapor Deposition

Science.gov (United States)

Harder, B. J.; Wiesner, V. L.; Zhu, D.; Johnson, N. S.

2017-01-01

Materials for advanced turbine engines are expected to have temperature capabilities in the range of 1370-1500C. At these temperatures the ingestion of sand and dust particulate can result in the formation of corrosive glass deposits referred to as CMAS. The presence of this glass can both thermomechanically and thermochemically significantly degrade protective coatings on metallic and ceramic components. Plasma Spray- Physical Vapor Deposition (PS-PVD) was used to deposit advanced environmental barrier coating (EBC) systems for investigation on their interaction with CMAS compositions. Coatings were exposed to CMAS and furnace tested in air from 1 to 50 hours at temperatures ranging from 1200-1500C. Coating composition and crystal structure were tracked with X-ray diffraction and microstructure with electron microscopy.

Copper diffusion in TaN-based thin layers

Energy Technology Data Exchange (ETDEWEB)

Nazon, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fraisse, B. [Laboratoire Structure, Proprietes et Modelisation des Solides (UMR 8580), Ecole Centrale de Paris, Grande Voie des Vignes, 92295 Chatenay-Malabry Cedex (France); Sarradin, J. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Fries, S.G. [SGF Scientific Consultancy, Arndt str.9, D-52064 Aachen (Germany); Tedenac, J.C. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France); Frety, N. [Universite Montpellier II, Institut Charles Gerhardt, UMR 5253 CNRS-UM2-ENSCM-UM1, cc 1504, 34095 Montpellier Cedex 5 (France)], E-mail: Nicole.Frety@univ-montp2.fr

2008-07-15

The diffusion of Cu through TaN-based thin layers into a Si substrate has been studied. The barrier efficiency of TaN/Ta/TaN multilayers of 150 nm in thickness has been investigated and is compared with that of TaN single layers. Thermal stabilities of these TaN-based thin layers against Cu diffusion were determined from in situ X-ray diffraction experiments, conducted in the temperature range of 773-973 K. The TaN/Ta/TaN barrier appeared to be more efficient in preventing Cu diffusion than the TaN single layer.

Recent advancements in liposomes targeting strategies to cross blood-brain barrier (BBB) for the treatment of Alzheimer's disease.

Science.gov (United States)

Agrawal, Mukta; Ajazuddin; Tripathi, Dulal K; Saraf, Swarnlata; Saraf, Shailendra; Antimisiaris, Sophia G; Mourtas, Spyridon; Hammarlund-Udenaes, Margareta; Alexander, Amit

2017-08-28

In this modern era, with the help of various advanced technologies, medical science has overcome most of the health-related issues successfully. Though, some diseases still remain unresolved due to various physiological barriers. One such condition is Alzheimer; a neurodegenerative disorder characterized by progressive memory impairment, behavioral abnormalities, mood swing and disturbed routine activities of the person suffering from. It is well known to all that the brain is entirely covered by a protective layer commonly known as blood brain barrier (BBB) which is responsible to maintain the homeostasis of brain by restricting the entry of toxic substances, drug molecules, various proteins and peptides, small hydrophilic molecules, large lipophilic substances and so many other peripheral components to protect the brain from any harmful stimuli. This functionally essential structure creates a major hurdle for delivery of any drug into the brain. Still, there are some provisions on BBB which facilitate the entry of useful substances in the brain via specific mechanisms like passive diffusion, receptor-mediated transcytosis, carrier-mediated transcytosis etc. Another important factor for drug transport is the selection of a suitable drug delivery systems like, liposome, which is a novel drug carrier system offering a potential approach to resolving this problem. Its unique phospholipid bilayer structure (similar to physiological membrane) had made it more compatible with the lipoidal layer of BBB and helps the drug to enter the brain. The present review work focused on various surface modifications with functional ligand (like lactoferrin, transferrin etc.) and carrier molecules (such as glutathione, glucose etc.) on the liposomal structure to enhance its brain targeting ability towards the successful treatment of Alzheimer disease. Copyright © 2017 Elsevier B.V. All rights reserved.

Influence of the oxygen electrode and inter-diffusion barrier on the degradation of solid oxide electrolysis cells

DEFF Research Database (Denmark)

Hjalmarsson, Per; Sun, Xiufu; Liu, Yi-Lin

2013-01-01

-diffusion barrier sandwiched between the YSZ electrolyte and an LSCF:CGO oxygen electrode. Impedance Spectroscopy was used during the tests to diagnose the change in electrochemical response of the different components of the SOECs. The results showed a significantly lower degradation rate for the cell with an LSCF......Two Solid Oxide Electrolysis Cells (SOECs) with different oxygen electrodes have been tested in galvanostatic tests carried out at −1.5 Acm−2 and 800 °C converting 60% of a 50:50% mixture of H2O and CO2 (co-electrolysis). One of the cells had an LSM:YSZ oxygen electrode. The other had an CGO inter...

Gallium interstitial contributions to diffusion in gallium arsenide

Science.gov (United States)

Schick, Joseph T.; Morgan, Caroline G.

2011-09-01

A new diffusion path is identified for gallium interstitials, which involves lower barriers than the barriers for previously identified diffusion paths [K. Levasseur-Smith and N. Mousseau, J. Appl. Phys. 103, 113502 (2008), P. A. Schultz and O. A. von Lilienfeld, Modelling and Simulation in Materials Science and Engineering 17, 084007 (2009)] for the charge states which dominate diffusion over most of the available range of Fermi energies. This path passes through the ⟨110⟩ gallium-gallium split interstitial configuration, and has a particularly low diffusion barrier of 0.35 eV for diffusion in the neutral charge state. As a part of this work, the character of the charge states for the gallium interstitials which are most important for diffusion is investigated, and it is shown that the last electron bound to the neutral interstitial occupies a shallow hydrogenic bound state composed of conduction band states for the hexagonal interstitial and both tetrahedral interstitials. How to properly account for the contributions of such interstitials is discussed for density-functional calculations with a k-point mesh not including the conduction band edge point. Diffusion barriers for gallium interstitials are calculated in all the charge states which can be important for a Fermi level anywhere in the gap, q = 0, +1, +2, and +3, for diffusion via the ⟨110⟩ gallium-gallium split interstitial configuration and via the hexagonal interstitial configuration. The lowest activation enthalpies over most of the available range of Fermi energies are found to correspond to diffusion in the neutral or singly positive state via the ⟨110⟩ gallium-gallium split interstitial configuration. It is shown that several different charge states and diffusion paths contribute significantly for Fermi levels within 0.2 eV above the valence band edge, which may help to explain some of the difficulties [H. Bracht and S. Brotzmann, Phys. Rev. B 71, 115216 (2005)] which have been

The Drosophila blood-brain barrier: Development and function of a glial endothelium

Directory of Open Access Journals (Sweden)

Stefanie eLimmer

2014-11-01

Full Text Available The efficacy of neuronal function requires a well-balanced extracellular ion homeostasis and a steady supply with nutrients and metabolites. Therefore, all organisms equipped with a complex nervous system developed a so-called blood-brain barrier, protecting it from an uncontrolled entry of solutes, metabolites or pathogens. In higher vertebrates, this diffusion barrier is established by polarized endothelial cells that form extensive tight junctions, whereas in lower vertebrates and invertebrates the blood-brain barrier is exclusively formed by glial cells. Here, we review the development and function of the glial blood-brain barrier of Drosophila melanogaster. In the Drosophila nervous system, at least seven morphologically distinct glial cell classes can be distinguished. Two of these glial classes form the blood-brain barrier. Perineurial glial cells participate in nutrient uptake and establish a first diffusion barrier. The subperineurial glial cells form septate junctions, which block paracellular diffusion and thus seal the nervous system from the hemolymph. We summarize the molecular basis of septate junction formation and address the different transport systems expressed by the blood-brain barrier forming glial cells.

The Drosophila blood-brain barrier: development and function of a glial endothelium.

Science.gov (United States)

Limmer, Stefanie; Weiler, Astrid; Volkenhoff, Anne; Babatz, Felix; Klämbt, Christian

2014-01-01

The efficacy of neuronal function requires a well-balanced extracellular ion homeostasis and a steady supply with nutrients and metabolites. Therefore, all organisms equipped with a complex nervous system developed a so-called blood-brain barrier, protecting it from an uncontrolled entry of solutes, metabolites or pathogens. In higher vertebrates, this diffusion barrier is established by polarized endothelial cells that form extensive tight junctions, whereas in lower vertebrates and invertebrates the blood-brain barrier is exclusively formed by glial cells. Here, we review the development and function of the glial blood-brain barrier of Drosophila melanogaster. In the Drosophila nervous system, at least seven morphologically distinct glial cell classes can be distinguished. Two of these glial classes form the blood-brain barrier. Perineurial glial cells participate in nutrient uptake and establish a first diffusion barrier. The subperineurial glial (SPG) cells form septate junctions, which block paracellular diffusion and thus seal the nervous system from the hemolymph. We summarize the molecular basis of septate junction formation and address the different transport systems expressed by the blood-brain barrier forming glial cells.

Surface self-diffusion of adatom on Pt cluster with truncated octahedron structure

Energy Technology Data Exchange (ETDEWEB)

Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.c [Department of Maths and Physics, Hunan Institute of Engineering, Xiangtan 411104 (China); Hu Wangyu, E-mail: wangyuhu2001@yahoo.com.c [Department of Applied Physics, Hunan University, Changsha 410082 (China); Chen Shuguang [Department of Applied Physics, Hunan University, Changsha 410082 (China)

2010-05-03

Surface diffusion of single Pt adatom on Pt cluster with truncated octahedron structure is investigated through a combination of molecular dynamics and nudged elastic band method. Using an embedded atom method to describe the atomic interactions, the minimum energy paths are determined and the energy barriers for adatom diffusion across and along step are evaluated. The diffusion of adatom crossing step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets has a surprisingly low barrier of 0.03 eV, which is 0.12 eV lower than the barrier for adatom diffusion from {l_brace}111{r_brace} to neighboring {l_brace}111{r_brace} facet. Owing to the small barrier of adatom diffusion across the step edge between {l_brace}111{r_brace} and {l_brace}100{r_brace} facets, the diffusion of adatom along the step edge cannot occur. The molecular dynamics simulations at low temperatures also support these results. Our results show that mass transport will prefer step with {l_brace}100{r_brace} microfacet and the Pt clusters can have only {l_brace}111{r_brace} facets in epitaxial growth.

Quantifying atom addition reactions on amorphous solid water: a review of recent laboratory advances

Science.gov (United States)

He, Jiao; Vidali, Gianfranco

2018-06-01

Complex organic molecules found in space are mostly formed on and in the ice mantle covering interstellar dust grains. In clouds where ionizing irradiation is insignificant, chemical reactions on the ice mantle are dominated by thermal processes. Modeling of grain surface chemistry requires detailed information from the laboratory, including sticking coefficients, binding energies, diffusion energy barriers, mechanism of reaction, and chemical desorption rates. In this talk, recent laboratory advances in obtaining these information would be reviewed. Specifically, this talk will focus on the efforts in our group in: 1) Determining the mechanism of atomic hydrogen addition reactions on amorphous solid water (ASW); 2) Measuring the chemical desorption coefficient of H+O3-->O2+OH using the time-resolved scattering technique; and 3) Measuring the diffusion energy barrier of volatile molecules on ASW. Further laboratory studies will be suggested.This research was supported by NSF Astronomy & Astrophysics Research Grant #1615897.

Locally advanced oral cavity squamous cell carcinoma: Barriers related to effective treatment

Directory of Open Access Journals (Sweden)

K C Lakshmaiah

2015-01-01

Full Text Available Background: Oral cavity cancer is a significant health problem in India. Majority of patients present with locally advanced disease requiring multimodality treatment. Compliance to recommended treatment is an important factor affecting outcome. Aims: The aim was to evaluate the outcome of locally advanced oral cavity cancer patients with regards to treatment adherence and to assess reasons of noncompliance. Materials and Methods: This was a prospective observational study. We included patients referred to Department of Medical Oncology for induction chemotherapy in view of locally advanced oral cavity cancer. Results: Only 15 (26% patients completed planned treatment schedule. Their 1 year overall survival was 93%. The remaining 43 patients who received inadequate treatment had a dismal 21% 1 year overall survival. Illiteracy, poverty, long waiting list for surgery, prolonged delay for health scheme treatment plan approval and dissatisfaction with attitude of hospital staffs are major barriers related to effective treatment of these patients. Conclusions: A detailed discussion with patient and their relatives regarding recommended treatment, proper implementation of health schemes, increasing trained manpower to avoid long waiting list for surgery, provision of additional financial support for family member accompanying the patient and a sympathetic approach toward patients are needed to help these patients overcome the battle.

Digital Manufacturing of Selective Porous Barriers in Microchannels Using Multi-Material Stereolithography

Directory of Open Access Journals (Sweden)

Yong Tae Kim

2018-03-01

Full Text Available We have developed a sequential stereolithographic co-printing process using two different resins for fabricating porous barriers in microfluidic devices. We 3D-printed microfluidic channels with a resin made of poly(ethylene glycol diacrylate (MW = 258 (PEG-DA-258, a UV photoinitiator, and a UV sensitizer. The porous barriers were created within the microchannels in a different resin made of either PEG-DA (MW = 575 (PEG-DA-575 or 40% (w/w in water PEG-DA (MW = 700 (40% PEG-DA-700. We showed selective hydrogen ion diffusion across a 3D-printed PEG-DA-575 porous barrier in a cross-channel diffusion chip by observing color changes in phenol red, a pH indicator. We also demonstrated the diffusion of fluorescein across a 3D-printed 40% PEG-DA-700 porous barrier in a symmetric-channel diffusion chip by measuring fluorescence intensity changes across the porous barrier. Creating microfluidic chips with integrated porous barriers using a semi-automated 3D printing process shortens the design and processing time, avoids assembly and bonding complications, and reduces manufacturing costs compared to micromolding processes. We believe that our digital manufacturing method for fabricating selective porous barriers provides an inexpensive, simple, convenient and reproducible route to molecule delivery in the fields of molecular filtration and cell-based microdevices.

Hybridization of natural systems with advanced treatment processes for organic micropollutant removals: New concepts in multi-barrier treatment

KAUST Repository

Sudhakaran, Sairam; Maeng, Sungkyu; Amy, Gary L.

2013-01-01

). With the depletion of water resources and high demand for power and chemical usage, efforts need to be made to judiciously use advanced treatment processes. There is a new interest in multiple barriers with synergies in which two coupled processes can function as a

Low temperature plasma-enhanced atomic layer deposition of thin vanadium nitride layers for copper diffusion barriers

Energy Technology Data Exchange (ETDEWEB)

Rampelberg, Geert; Devloo-Casier, Kilian; Deduytsche, Davy; Detavernier, Christophe [Department of Solid State Sciences, Ghent University, Krijgslaan 281/S1, B-9000 Ghent (Belgium); Schaekers, Marc [IMEC, Kapeldreef 75, B-3001 Leuven (Belgium); Blasco, Nicolas [Air Liquide Electronics US, L.P., 46401 Landing Parkway, Fremont, California 94538 (United States)

2013-03-18

Thin vanadium nitride (VN) layers were grown by atomic layer deposition using tetrakis(ethylmethylamino)vanadium and NH{sub 3} plasma at deposition temperatures between 70 Degree-Sign C and 150 Degree-Sign C on silicon substrates and polymer foil. X-ray photoelectron spectroscopy revealed a composition close to stoichiometric VN, while x-ray diffraction showed the {delta}-VN crystal structure. The resistivity was as low as 200 {mu}{Omega} cm for the as deposited films and further reduced to 143 {mu}{Omega} cm and 93 {mu}{Omega} cm by annealing in N{sub 2} and H{sub 2}/He/N{sub 2}, respectively. A 5 nm VN layer proved to be effective as a diffusion barrier for copper up to a temperature of 720 Degree-Sign C.

Diffusion cell investigations into the acidic degradation of organic coatings

DEFF Research Database (Denmark)

Møller, Victor Buhl; Wang, Ting; Dam-Johansen, Kim

2018-01-01

Protective organic coatings work by preventing contact between an aggressive environment and a vulnerable substrate. However, the long required lifetime of a barrier coating provides a challenge when attempting to evaluate coating performance. Diffusion cells can be used as a tool to estimate...... coating barrier properties and lifetime. In this work, a diffusion cell array was designed, constructed, and compared to previous designs, with simplicity being the most important design parameter. Sulfuric acid diffusion through five different coatings was monitored using a battery of cells...

Barriers and strategies for innovations entering BoP markets

NARCIS (Netherlands)

Kamp, L.M.; Ortt, J.R.; Harahap, B.

2015-01-01

Companies that bring a new product to the market or enter a new market with an existing product, come across a number of barriers that prevent large?scale diffusion. In order to circumvent or remove these barriers, they can adopt alternative strategies. This paper looks into these barriers and

Strain enhanced lithium adsorption and diffusion on silicene.

Science.gov (United States)

Wang, Xiao; Luo, Youhua; Yan, Ting; Cao, Wei; Zhang, Meng

2017-03-01

The performance of Li-ion batteries relies heavily on the capacity and stability of constituent electrodes. Recently synthesized 2D silicene has demonstrated excellent Li-ion capacity with high charging rates. To explore the external influences for battery performance, in this work, first-principles calculations are employed to investigate the effect of external strain on the adsorption and diffusion of Li on silicene monolayers. It was found that tensile strain could enhance Li binding on silicene. The diffusion barrier is also calculated and the results show that Li diffusion through silicene is facilitated by tensile strain, whereas the strain has a limited effect on the energy barrier of diffusion parallel to the plane of pristine silicene. Our results suggest that silicene could be a promising electrode material for lithium ion batteries.

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

Science.gov (United States)

Good, Brian

2013-01-01

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Penetration through the Skin Barrier

DEFF Research Database (Denmark)

Nielsen, Jesper Bo; Benfeldt, Eva; Holmgaard, Rikke

2016-01-01

The skin is a strong and flexible organ with barrier properties essential for maintaining homeostasis and thereby human life. Characterizing this barrier is the ability to prevent some chemicals from crossing the barrier while allowing others, including medicinal products, to pass at varying rates......-through diffusion cells) as well as in vivo methods (microdialysis and microperfusion). Then follows a discussion with examples of how different characteristics of the skin (age, site and integrity) and of the penetrants (size, solubility, ionization, logPow and vehicles) affect the kinetics of percutaneous...

Muon diffusion in noble metals

International Nuclear Information System (INIS)

Schillaci, M.E.; Boekema, C.; Heffner, R.H.; Hutson, R.L.; Leon, M.; Olsen, C.E.; Dodds, S.A.; MacLaughlin, D.E.; Richards, P.M.

1982-01-01

Diffusion-induced muon depolarization was measured in dilute AgGd and AgEr in the temperature range 200 to 700 0 K and have thereby determined the muon diffusion parameters in Ag. The diffusion parameters for μ + in Cu, Ag, and Au are compared with those of hydrogen. For Ag and Au, the μ + parameters are similar to those of hydrogen, whereas for Cu, the μ + parameters are much smaller. Lattice-activated tunneling and over-barrier hopping are investigated with computational models

High-temperature resistant, thermally sprayed diffusion barrier coatings on CFC lightweight materials; Hochtemperaturbestaendige, thermisch gespritzte Diffusionsbarriereschichten auf CFC-Leichtbauchargiergestellen

Energy Technology Data Exchange (ETDEWEB)

Drehmann, Rico; Rupprecht, Christian; Wielage, Bernhard; Lampke, Thomas [Technische Univ. Chemnitz (Germany). Inst. fuer Werkstoffwissenschaft und Werkstofftechnik (IWW); Gilbert, Maria; Uhlig, Volker; Trimis, Dimosthenis [Technische Univ. Bergakademie Freiberg (Germany). Inst. fuer Waermetechnik und Thermodynamik (IWTT); Heuer, Volker [ALD Vacuum Technologies GmbH, Hanau (Germany)

2013-03-15

In heat treating processes as well as in high temperature brazing processes, charge carriers enable the positioning and transport of work pieces. Recently, charge carriers consisting of graphite or carbon fibre reinforced carbon (CFC) are used. The main disadvantage of charge carriers based on CFC is the undesirable carburization of the overlying components due to diffusion processes. Under this aspect, thermally sprayed coatings are applied on CFC and tested with respect to their suitability as a high-temperature diffusion barrier. The ceramic powders aluminium oxide, aluminium oxide/chromium oxide, aluminium oxide/titanium oxide and zirconium oxide/yttrium oxide are used as a coating material which is processed by means of the powder flame spraying as well as atmospheric plasma spraying. Molybdenum and silicon carbide are used as an adhesive layer. The coating materials aluminium oxide and aluminium oxide/chromium oxide on siliconized CFC presented excellent results. This supplies a large potential of application for thermally sprayed ceramic coatings on carbon-based lightweight materials.

Diffusion Tensor Imaging and Its Application to Traumatic Brain Injury: Basic Principles and Recent Advances

Science.gov (United States)

2012-12-01

an advanced magnetic resonance imaging (MRI) technique that is sensitive to the movement of water molecules, providing additional information on the...imaging (MRI) technique that is sensitive to the movement of water molecules, providing additional information on the micro-structural arrangement of...disrupted fiber tracts adjacent to the hemorrhages. 1.3. Basic Physics of DW-MRI and Apparent Diffusion Coefficient (ADC) Mapping Brownian motion of

Membrane barriers for radon gas flow restrictions

International Nuclear Information System (INIS)

Archibald, J.F.

1984-08-01

Research was performed to assess the feasibility of barrier membrane substances, for use within mining or associated high risk environments, in restricting the diffusion transport of radon gas quantities. Specific tests were conducted to determine permeability parameters of a variety of membrane materials with reference to radon flow capabilities. Tests were conducted both within laboratory and in-situ emanation environments where concentrations and diffusion flows of radon gas were known to exist. Equilibrium radon gas concentrations were monitored in initially radon-free chambers adjacent to gas sources, but separated by specified membrane substances. Membrane barrier effectiveness was demonstrated to result in reduced emanation concentrations of radon gas within the sampling chamber atmosphere. Minimum gas concentrations were evidenced where the barrier membrane material was shown to exhibit lowest radon permeability characteristics

Concentration dependent hydrogen diffusion in tungsten

Energy Technology Data Exchange (ETDEWEB)

Ahlgren, T., E-mail: tommy.ahlgren@helsinki.fi; Bukonte, L.

2016-10-15

The diffusion of hydrogen in tungsten is studied as a function of temperature, hydrogen concentration and pressure using Molecular Dynamics technique. A new analysis method to determine diffusion coefficients that accounts for the random oscillation of atoms around the equilibrium position is presented. The results indicate that the hydrogen migration barrier of 0.25 eV should be used instead of the presently recommended value of 0.39 eV. This conclusion is supported by both experiments and density functional theory calculations. Moreover, the migration volume at the saddle point for H in W is found to be positive: ΔV{sub m} ≈ 0.488 Å{sup 3}, leading to a decrease in the diffusivity at high pressures. At high H concentrations, a dramatic reduction in the diffusion coefficient is observed, due to site blocking and the repulsive H-H interaction. The results of this study indicates that high flux hydrogen irradiation leads to much higher H concentrations in tungsten than expected. - Highlights: • The recommended value of 0.39 eV for the H in W migration barrier should be changed to 0.25 eV. • The random oscillation of atoms around the equilibrium position can be dealt with in diffusion simulations. • Hydrogen diffusion in tungsten is highly concentration dependent.

Effect of strain on surface diffusion and nucleation

DEFF Research Database (Denmark)

Brune, Harald; Bromann, Karsten; Röder, Holger

1995-01-01

The influence of strain on diffusion and nucleation has been studied by means of scanning tunneling microscopy and effective-medium theory for Ag self-diffusion on strained and unstrained (111) surfaces. Experimentally, the diffusion barrier is observed to be substantially lower on a pseudomorphic...... effect on surface diffusion and nucleation in heteroepitaxy and are thus of significance for the film morphology in the kinetic growth regime....

Self-organization of single filaments and diffusive plasmas during a single pulse in dielectric-barrier discharges

International Nuclear Information System (INIS)

Babaeva, Natalia Yu; Kushner, Mark J

2014-01-01

Self-organization of filaments in dielectric-barrier discharges (DBDs) probably has many origins. However, the dominant cause is proposed to be the accumulation of charge on the surfaces of the bounding dielectrics that reinforces successive discharge pulses to occur at the same locations. A secondary cause is the electrostatic repulsion of individual plasma filaments. Self-organization typically develops over many discharge pulses. In this paper, we discuss the results of a computational investigation of plasma filaments in overvoltage DBDs that, under select conditions, display self-organized patterns (SOPs) of plasma density during a single discharge pulse. (Overvoltage refers to the rapid application of a voltage in excess of the quasi-dc breakdown voltage.) The origin of the SOPs is a synergistic relationship between the speed of the surface-ionization waves that propagate along each dielectric and the rate at which avalanche occurs across the gap. For our test conditions, SOPs were not observed at lower voltages and gradually formed at higher voltages. The same conditions that result in SOPs, i.e. the application of an overvoltage, also produce more diffuse discharges. A transition from a single narrow filament to a more diffuse structure was observed as overvoltage was approached. The sensitivity of SOPs to the orientation and permittivity of the bounding dielectrics is discussed. (paper)

Technical and economic aspects of new gaseous diffusion uranium enrichment capacity

International Nuclear Information System (INIS)

Langley, R.A. Jr.; O'Donnell, A.J.

1977-01-01

Work is well advanced on design and construction of the next major increment of U.S. uranium enrichment capacity. The plant will use the gaseous diffusion process to provide the required capacity and reliability at a competitive enrichment services cost. Gaseous diffusion technology is the base against which other processes are compared in order to assess their commercial viability. While it has generally been described as a mature technology with limited future development potential, work on design of the new U.S. plant has resulted in major improvement in plant design with corresponding decreases in plant capacity and operating costs. The paper describes major technological advances incorporated into the new plant design and their impact on enrichment costs. These include the effects of: - advanced barrier technology; - tandem compressor drive systems; - optimization of number of equipment sizes; - single level plant design; - development of rapid power level change capability; - electrical system simplification; - plant arrangement and layout. Resulting capital costs and projected enrichment costs are summarized. Enrichment costs are placed in the context of total nuclear fuel cycle costs. Trade-offs between uranium feed material quantities and enrichment plant tails assays are described, and optimization of this aspect of the nuclear fuel cycle is discussed. The effect on enrichment plant characteristics is described. Flexibility and capability of the new U.S. enrichment plant to meet these changing optimization conditions are described

Investigations of the interactions of silicon dioxide with copper-aluminum alloy used as an adhesion promoter and diffusion barrier for copper metallization on silicon dioxide

Science.gov (United States)

Wang, Pei-I.

This study explores the concept of alloying copper with Al in order to impart properties that will make Cu useful for interconnect applications in ICs. The advantages of using Al as the alloying element lies in the thermodynamically favored interaction of Al with the underlying dielectric and with the O 2 at the surface of pure Cu thus achieving both the adhesion and passivation. This approach has been shown to generate an ultra thin interfacial layer, which acts as an adhesion promoter and diffusion barrier against Cu migration in the dielectric, without significantly affecting the resistivity of Cu. An emphasis has been placed to examine (a) the interaction of Al (from the Cu-Al alloy) with SiO2 at the alloy-SiO2 interface, (b) the Al migration to surface of the alloy or pure Cu if used, and (c) the impact of such migration on the bulk Cu film and passivation on the surface. In this work, sputtered Cu-Al (1--5 at%), with a resistivity in the range of 5--6 muO-cm, were studied as diffusion barriers/adhesion promoters between SiO2 and pure Cu. The films were examined in as-deposited state and after anneal at different temperatures for varying times and in different ambients by the use of surface and interface characterization techniques, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectroscopy (SIMS), and resistance measurements together with metal-oxide-silicon (MOS) capacitor studies. Transmission electron microscopy (TEM) and X-ray diffraction (XRD) were also used to elucidate the structure. The results elucidate the mechanisms of Al movement and interaction with the interface SiO2 and O2 on surface and indicate that films of Cu doped with Al do act as a suitable diffusion barrier and adhesion promoter between SiO2 and Cu.

Barriers and opportunities for labels for highly energy-efficient houses

International Nuclear Information System (INIS)

Mlecnik, Erwin; Visscher, Henk; Van Hal, Anke

2010-01-01

Promoting energy efficiency in the building sector is essential if the agreements of the Kyoto Protocol are to be honoured. Different initiatives for energy labelling of highly energy-efficient residential buildings have emerged throughout Europe as an essential method to stimulate market demand, to control grants or to ensure the quality of demonstration projects with excellent energy performance. The paper identifies the barriers and opportunities for the further diffusion of labels for highly energy-efficient houses. A model based on the theory of the diffusion of innovation is developed to analyse perceived attributes of existing European labels. The paper investigates the innovation characteristics of existing labels in Europe, with a focus on advanced countries. The question of compatibility with the development of the European Energy Performance of Buildings Directive (EPBD) is examined in detail. We found that the diffusion of emerging and already existing voluntary European labels for highly energy-efficient houses is needed. Their complexity can be lowered and relative advantage, trialability, observability, and compatibility can be increased. EPBD calculation procedures should be able to receive highly energy-efficient houses. In the framework of the recast of the EPBD, official recognition of existing voluntary labels is recommended. (author)

High-velocity DC-VPS for diffusion and protecting barrier layers in solid oxide fuel cells (SOFCs)

Science.gov (United States)

Henne, R. H.; Franco, T.; Ruckdäschel, R.

2006-12-01

High-temperature fuel cells of the solid oxide fuel cell (SOFC) type as direct converter of chemical into electrical energy show a high potential for reducing considerably the specific energy consumption in different application fields. Of particular interest are advanced lightweight planar cells for electricity supply units in cars and other mobile systems. Such cells, in one new design, consist mainly of metallic parts, for example, of ferrite steels. These cells shall operate in the temperature range of 700 to 800 °C where oxidation and diffusion processes can be of detrimental effect on cell performance for long-term operation. Problems arise in particular by diffusion of chromium species from the interconnect or the cell containment into the electrolyte/cathode interface forming insulating phases and by the mutual diffusion of substrate and anode material, for example, iron and chromium from the ferrite into the anode and nickel from the anode into the ferrite, which in both cases reduces performance and system lifetime. Additional intermediate layers of perovskite-type material, (e.g., doped LaCrO3) applied with high-velocity direct-current vacuum plasma spraying (DC-VPS) can reduce such effects considerably if they are stable and of high electronic conductivity.

Muon diffusion in noble metals

International Nuclear Information System (INIS)

Schillaci, M.E.; Bokema, C.; Heffner, R.H.; Hutson, R.L.; Leon, M.; Olsen, C.E.; Dodds, S.A.; MacLaughlin, D.E.; Richards, P.M.

1983-01-01

Diffusion-induced muon depolarization in dilute AgGd and AgEr were measured in the temperature range 200-700 K and have thereby determined the muon diffusion parameters in Ag. The diffusion parameters for μ + in Cu, Ag, and Au are compared with those of hydrogen. For Ag and Au, the μ + parameters are similar to those of hydrogen, whereas for Cu, the μ + parameters are much smaller. Lattice-activated tunneling and over-barrier hopping are investigated with computational models. 15 references, 1 figure, 2 tables

Tritium/hydrogen barrier development

International Nuclear Information System (INIS)

Hollenberg, G.W.; Simonen, E.P.; Kalinen, G.; Terlain, A.

1994-06-01

A review of hydrogen permeation barriers that can be applied to structural metals used in fusion power plants is presented. Both implanted and chemically available hydrogen isotopes must be controlled in fusion plants. The need for permeation barriers appears strongest in Li17-Pb blanket designs, although barriers also appear necessary for other blanket and coolant systems. Barriers that provide greater than a 1000 fold reduction in the permeation of structural metals are desired. In laboratory experiments, aluminide and titanium ceramic coatings provide permeation reduction factors, PRFS, from 1000 to over 100,000 with a wide range of scatter. The rate-controlling mechanism for hydrogen permeation through these barriers may be related to the number and type of defects in the barriers. Although these barriers appear robust and resistant to liquid metal corrosion, irradiation tests which simulate blanket environments result in very low PRFs in comparison to laboratory experiments, i.e., <150. It is anticipated from fundamental research activities that the REID enhancement of hydrogen diffusion in oxides may contribute to the lower permeation reduction factors during in-reactor experiments

Hydrogen diffusion along grain boundaries in erbium oxide coatings

International Nuclear Information System (INIS)

Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki

2014-01-01

Diffusion of interstitial atomic hydrogen in erbium oxide (Er 2 O 3 ) was investigated using density functional theory (DFT) and molecular dynamics (MD) methods. Hydrogen diffusivity in bulk, on (0 0 1) surface, and along Σ13 (4–3–1)/[1 1 1] symmetric tilt grain boundaries (GBs) were evaluated in a temperature range of 673–1073 K, as well as hydrogen diffusion barriers. It was found that H diffusion shows the faster on (0 0 1) surface than along GBs and in bulk. Also, energy barrier of H diffusion in bulk estimated by DFT and MD methods is somewhat higher than that along GBs evaluated in the experiments. This suggests that H diffusion in Er 2 O 3 coatings depends on GBs rather than bulk. In addition, with a correction of GB density, the simulated diffusivity along GBs in MD simulations is in good agreement with the experimental data within one order of magnitude. The discrepancy of H diffusivity between the experiments and the simulations should be reduced by considering H concentration, H diffusion direction, deviations of the initial configuration, vacancy defects, etc

Barriers to Career Mobility/Advancement by African-American and Caucasian Female Administrators in Minnesota Organizations: A Perception or Reality?

Science.gov (United States)

Coleman, Jo Evans

The primary purpose of this research was to identify perceived barriers affecting African-American and Caucasian female administrators' career mobility/advancement in education, business/industry, and government in Minnesota. The study explored women's perceptions of the effects that race/gender discrimination and gender underrepresentation have…

Tunnelling through a Gaussian random barrier

International Nuclear Information System (INIS)

Bezak, Viktor

2008-01-01

A thorough analysis of the tunnelling of electrons through a laterally inhomogeneous rectangular barrier is presented. The barrier height is defined as a statistically homogeneous Gaussian random function. In order to simplify calculations, we assume that the electron energy is low enough in comparison with the mean value of the barrier height. The randomness of the barrier height is defined vertically by a constant variance and horizontally by a finite correlation length. We present detailed calculations of the angular probability density for the tunnelled electrons (i.e. for the scattering forwards). The tunnelling manifests a remarkably diffusive character if the wavelength of the electrons is comparable with the correlation length of the barrier

Convergence of surface diffusion parameters with model crystal size

Science.gov (United States)

Cohen, Jennifer M.; Voter, Arthur F.

1994-07-01

A study of the variation in the calculated quantities for adatom diffusion with respect to the size of the model crystal is presented. The reported quantities include surface diffusion barrier heights, pre-exponential factors, and dynamical correction factors. Embedded atom method (EAM) potentials were used throughout this effort. Both the layer size and the depth of the crystal were found to influence the values of the Arrhenius factors significantly. In particular, exchange type mechanisms required a significantly larger model than standard hopping mechanisms to determine adatom diffusion barriers of equivalent accuracy. The dynamical events that govern the corrections to transition state theory (TST) did not appear to be as sensitive to crystal depth. Suitable criteria for the convergence of the diffusion parameters with regard to the rate properties are illustrated.

Calcium-magnesium Aluminosilicate (CMAS) Interactions with Advanced Environmental Barrier Coating Material

Science.gov (United States)

Wiesner, Valerie L.; Bansal, Narottam P.

2015-01-01

Particulates, like sand and volcanic ash, threaten the development of robust environmental barrier coatings (EBCs) that protect next-generation silicon-based ceramic matrix composite (CMC) turbine engine components from harsh combustion environments during service. The siliceous particulates transform into molten glassy deposits of calcium-magnesium aluminosilicate (CMAS) when ingested by an aircraft engine operating at temperatures above 1200C. In this study, a sample of desert sand was melted into CMAS glass to evaluate high-temperature interactions between the sand glass and an advanced EBC material. Desert sand glass was added to the surface of hot-pressed EBC substrates, which were then heated in air at temperatures ranging from 1200C to 1500C. Scanning electron microscopy and X-ray energy-dispersive spectroscopy were used to evaluate microstructure and phase compositions of specimens and the CMASEBC interface after heat treatments.

Copper diffusion in Ti-Si-N layers formed by inductively coupled plasma implantation

International Nuclear Information System (INIS)

Ee, Y.C.; Chen, Z.; Law, S.B.; Xu, S.; Yakovlev, N.L.; Lai, M.Y.

2006-01-01

Ternary Ti-Si-N refractory barrier films of 15 nm thick was prepared by low frequency, high density, inductively coupled plasma implantation of N into Ti x Si y substrate. This leads to the formation of Ti-N and Si-N compounds in the ternary film. Diffusion of copper in the barrier layer after annealing treatment at various temperatures was investigated using time-of-flight secondary ion mass spectrometer (ToF-SIMS) depth profiling, X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and sheet resistance measurement. The current study found that barrier failure did not occur until 650 deg. C annealing for 30 min. The failure occurs by the diffusion of copper into the Ti-Si-N film to form Cu-Ti and Cu-N compounds. FESEM surface morphology and EDX show that copper compounds were formed on the ridge areas of the Ti-Si-N film. The sheet resistance verifies the diffusion of Cu into the Ti-Si-N film; there is a sudden drop in the resistance with Cu compound formation. This finding provides a simple and effective method of monitoring Cu diffusion in TiN-based diffusion barriers

Environmental Barrier Coating Development for SiC/SiC Ceramic Matrix Composites: Recent Advances and Future Directions

Science.gov (United States)

Zhu, Dongming

2016-01-01

This presentation briefly reviews the SiC/SiC major environmental and environment-fatigue degradations encountered in simulated turbine combustion environments, and thus NASA environmental barrier coating system evolution for protecting the SiC/SiC Ceramic Matrix Composites for meeting the engine performance requirements. The presentation will review several generations of NASA EBC materials systems, EBC-CMC component system technologies for SiC/SiC ceramic matrix composite combustors and turbine airfoils, highlighting the temperature capability and durability improvements in simulated engine high heat flux, high pressure, high velocity, and with mechanical creep and fatigue loading conditions. This paper will also focus on the performance requirements and design considerations of environmental barrier coatings for next generation turbine engine applications. The current development emphasis is placed on advanced NASA candidate environmental barrier coating systems for SiC/SiC CMCs, their performance benefits and design limitations in long-term operation and combustion environments. The efforts have been also directed to developing prime-reliant, self-healing 2700F EBC bond coat; and high stability, lower thermal conductivity, and durable EBC top coats. Major technical barriers in developing environmental barrier coating systems, the coating integrations with next generation CMCs having the improved environmental stability, erosion-impact resistance, and long-term fatigue-environment system durability performance will be described. The research and development opportunities for turbine engine environmental barrier coating systems by utilizing improved compositions, state-of-the-art processing methods, and simulated environment testing and durability modeling will be briefly discussed.

Field testing of asphalt-emulsion radon-barrier system

International Nuclear Information System (INIS)

Hartley, J.N.; Freeman, H.D.; Baker, E.G.; Elmore, M.R.; Nelson, D.A.; Voss, C.F.; Koehmstedt, P.L.

1981-09-01

Three years of laboratory and field testing have demonstrated that asphalt emulsion seals are effective radon diffusion barriers. Both laboratory and field tests in 1979, 1980 and 1981 have shown that an asphalt emulsion seal can reduce radon fluxes by greater than 99.9%. The effective diffusion coefficient for the various asphalt emulsion admix seals averages about 10 -6 cm 2 /s. The 1981 joint field test is a culmination of all the technology developed to date for asphalt emulsion radon barrier systems. Preliminary results of this field test and the results of the 1980 field test are presented. 18 figures, 6 tables

Numerical fluid solutions for nonlocal electron transport in hot plasmas: Equivalent diffusion versus nonlocal source

International Nuclear Information System (INIS)

Colombant, Denis; Manheimer, Wallace

2010-01-01

Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.

Different approach to the modeling of nonfree particle diffusion

Science.gov (United States)

Buhl, Niels

2018-03-01

A new approach to the modeling of nonfree particle diffusion is presented. The approach uses a general setup based on geometric graphs (networks of curves), which means that particle diffusion in anything from arrays of barriers and pore networks to general geometric domains can be considered and that the (free random walk) central limit theorem can be generalized to cover also the nonfree case. The latter gives rise to a continuum-limit description of the diffusive motion where the effect of partially absorbing barriers is accounted for in a natural and non-Markovian way that, in contrast to the traditional approach, quantifies the absorptivity of a barrier in terms of a dimensionless parameter in the range 0 to 1. The generalized theorem gives two general analytic expressions for the continuum-limit propagator: an infinite sum of Gaussians and an infinite sum of plane waves. These expressions entail the known method-of-images and Laplace eigenfunction expansions as special cases and show how the presence of partially absorbing barriers can lead to phenomena such as line splitting and band gap formation in the plane wave wave-number spectrum.

Global diffusive fluxes of methane in marine sediments

Science.gov (United States)

Egger, Matthias; Riedinger, Natascha; Mogollón, José M.; Jørgensen, Bo Barker

2018-06-01

Anaerobic oxidation of methane provides a globally important, yet poorly constrained barrier for the vast amounts of methane produced in the subseafloor. Here we provide a global map and budget of the methane flux and degradation in diffusion-controlled marine sediments in relation to the depth of the methane oxidation barrier. Our new budget suggests that 45-61 Tg of methane are oxidized with sulfate annually, with approximately 80% of this oxidation occurring in continental shelf sediments (methane in steady-state diffusive sediments, we calculate that 3-4% of the global organic carbon flux to the seafloor is converted to methane. We further report a global imbalance of diffusive methane and sulfate fluxes into the sulfate-methane transition with no clear trend with respect to the corresponding depth of the methane oxidation barrier. The observed global mean net flux ratio between sulfate and methane of 1.4:1 indicates that, on average, the methane flux to the sulfate-methane transition accounts for only 70% of the sulfate consumption in the sulfate-methane transition zone of marine sediments.

Barrier mechanisms in the Drosophila blood-brain barrier

Directory of Open Access Journals (Sweden)

Samantha Jane Hindle

2014-12-01

Full Text Available The invertebrate blood-brain barrier field is growing at a rapid pace and, in recent years, studies have shown a physiologic and molecular complexity that has begun to rival its vertebrate counterpart. Novel mechanisms of paracellular barrier maintenance through GPCR signaling were the first demonstrations of the complex adaptive mechanisms of barrier physiology. Building upon this work, the integrity of the invertebrate blood-brain barrier has recently been shown to require coordinated function of all layers of the compound barrier structure, analogous to signaling between the layers of the vertebrate neurovascular unit. These findings strengthen the notion that many blood-brain barrier mechanisms are conserved between vertebrates and invertebrates, and suggest that novel findings in invertebrate model organisms will have a significant impact on the understanding of vertebrate BBB functions. In this vein, important roles in coordinating localized and systemic signaling to dictate organism development and growth are beginning to show how the blood-brain barrier can govern whole animal physiologies. This includes novel functions of blood-brain barrier gap junctions in orchestrating synchronized neuroblast proliferation, and of blood-brain barrier secreted antagonists of insulin receptor signaling. These advancements and others are pushing the field forward in exciting new directions. In this review, we provide a synopsis of invertebrate blood-brain barrier anatomy and physiology, with a focus on insights from the past 5 years, and highlight important areas for future study.

Apparent diffusion coefficient histogram shape analysis for monitoring early response in patients with advanced cervical cancers undergoing concurrent chemo-radiotherapy.

Science.gov (United States)

Meng, Jie; Zhu, Lijing; Zhu, Li; Wang, Huanhuan; Liu, Song; Yan, Jing; Liu, Baorui; Guan, Yue; Ge, Yun; He, Jian; Zhou, Zhengyang; Yang, Xiaofeng

2016-10-22

To explore the role of apparent diffusion coefficient (ADC) histogram shape related parameters in early assessment of treatment response during the concurrent chemo-radiotherapy (CCRT) course of advanced cervical cancers. This prospective study was approved by the local ethics committee and informed consent was obtained from all patients. Thirty-two patients with advanced cervical squamous cell carcinomas underwent diffusion weighted magnetic resonance imaging (b values, 0 and 800 s/mm 2 ) before CCRT, at the end of 2nd and 4th week during CCRT and immediately after CCRT completion. Whole lesion ADC histogram analysis generated several histogram shape related parameters including skewness, kurtosis, s-sD av , width, standard deviation, as well as first-order entropy and second-order entropies. The averaged ADC histograms of 32 patients were generated to visually observe dynamic changes of the histogram shape following CCRT. All parameters except width and standard deviation showed significant changes during CCRT (all P histogram also changed obviously following CCRT. ADC histogram shape analysis held the potential in monitoring early tumor response in patients with advanced cervical cancers undergoing CCRT.

Surface self-diffusion behavior of individual tungsten adatoms on rhombohedral clusters

International Nuclear Information System (INIS)

Yang Jianyu; Hu Wangyu; Tang Jianfeng

2011-01-01

The diffusion of single tungsten adatoms on the surfaces of rhombohedral clusters is studied by means of molecular dynamics and the embedded atom method. The energy barriers for the adatom diffusing across and along the step edge between a {110} facet and a neighboring {110} facet are calculated using the nudged elastic band method. We notice that the tungsten adatom diffusion across the step edge has a much higher barrier than that for face-centered cubic metal clusters. The result shows that diffusion from the {110} facet to a neighboring {110} facet could not take place at low temperatures. In addition, the calculated energy barrier for an adatom diffusing along the step edge is lower than that for an adatom on the flat (110) surface. The results show that the adatom could diffuse easily along the step edge, and could be trapped by the facet corner. Taking all of this evidence together, we infer that the {110} facet starts to grow from the facet corner, and then along the step edge, and finally toward the {110} facet center. So the tungsten rhombohedron can grow epitaxially along the {110} facet one facet at a time and the rhombohedron should be the stable structure for both large and small tungsten clusters. (paper)

Advanced microscopic methods for the detection of adhesion barriers in immunology in medical imaging

Science.gov (United States)

Lawrence, Shane

2017-07-01

Advanced methods of microscopy and advanced techniques of analysis stemming therefrom have developed greatly in the past few years.The use of single discrete methods has given way to the combination of methods which means an increase in data for processing to progress to the analysis and diagnosis of ailments and diseases which can be viewed by each and any method.This presentation shows the combination of such methods and gives example of the data which arises from each individual method and the combined methodology and suggests how such data can be streamlined to enable conclusions to be drawn about the particular biological and biochemical considerations that arise.In this particular project the subject of the methodology was human lactoferrin and the relation of the adhesion properties of hlf in the overcoming of barriers to adhesion mainly on the perimeter of the cellular unit and how this affects the process of immunity in any particular case.

Mathematical models for diffusive mass transfer from waste package container with multiple perforations

International Nuclear Information System (INIS)

Lee, J.H.; Andrews, R.W.; Chambre, P.L.

1996-01-01

A robust engineered barrier system (EBS) is employed in the current design concept for the potential high-level nuclear waste repository at Yucca Mountain, Nevada, US. The primary component of the EBS is a multi-barrier waste package container. Simplifying the geometry of the cylindrical waste package container and the underlying invert into the equivalent spherical configuration, mathematical models are developed for steady-state and transient diffusive releases from the failed waste container with multiple perforations (or pit penetrations) at the boundary of the invert. Using the models the steady-state and transient diffusive release behaviors form the failed waste container are studied. The analyses show that the number of perforations, the size of perforation, the container wall thickness, the geometry of the waste container and invert, and the adsorption of radionuclide in the invert are the important parameters that control the diffusive release rate. It is emphasized that the failed (or perforated) waste package container can still perform as a potentially important barrier (or diffusion barrier) to radionuclide release

High-throughput ab-initio dilute solute diffusion database.

Science.gov (United States)

Wu, Henry; Mayeshiba, Tam; Morgan, Dane

2016-07-19

We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.

THE DETERMINATION OF DIFFUSION COEFFICIENT OF INVERT MATERIALS

International Nuclear Information System (INIS)

P. Heller and J. Wright

2000-01-01

The Engineered Barrier System (EBS) Testing Department is performing tests in the Department of Energy's Atlas Facility to evaluate the performance of various means for increasing the time for breakthrough of radionuclides from the waste package to the base of the invert. This includes testing various barriers in the invert as a means of increasing breakthrough time through the process of diffusion. A diffusion barrier may serve as an invert material for the emplacement drifts. The invert material may consist of crushed tuff from the repository excavation at Yucca Mountain or silica sand. The objective of this report is to determine the diffusion coefficient of the crushed tuff and silica sand invert materials specified by the EBS Testing Department. The laboratory derived information from the testing was used in the Nernst-Einstein equation (Jurinak et al. 1987, p. 626) to determine the diffusion coefficient of the invert material. This report transmits the results and describes the methodology and interpretation. The scope of this report is to determine the diffusion coefficients of the invert materials mentioned above using the centrifuge at UFA Ventures. Standard laboratory procedures, described in Section 2 of this report, were used. The diffusion coefficients are to be determined over a range of moisture contents. The report contains the diffusion coefficients calculated by the Nernst-Einstein equation (Jurinak et al. 1987, p. 626) that become a part of the Technical Database. Raw data is also included in the report, however this data does not become part of the Technical Database as per Section 3.23 of AP-SIII.3Q ''Submittal and Incorporation of Data to the Technical Data Management System''. A sieve analysis of the samples was not conducted as part of this report, but sieve analysis may be accomplished as part of other reports. Two samples of crushed tuff and two samples of silica sand were tested

Anti-collimation of ballistic electrons by a potential barrier

Science.gov (United States)

Coleridge, P. T.; Taylor, R. P.; Sachrajda, A. S.; Adams, J. A.

1994-03-01

A pair of Quantum Point Contacts separated by a continuous barrier have been fabricated using the surface gate technique. Transport measurements for each component of this system and for various combinations have shown both additive and non-additive behaviour. The results are explained by a combination of reflection by the barrier of electrons collimated by the Quantum Point Contacts and transport by diffusion across the barrier.

Theoretical modeling of transport barriers in helical plasmas

International Nuclear Information System (INIS)

Toda, S.; Itoh, K.; Ohyabu, N.

2008-10-01

A unified transport modelling to explain electron Internal Transport Barriers (e-ITB) in helical plasmas and Internal Diffusion Barriers (IDB) observed in Large Helical Device (LHD) is proposed. The e-ITB can be predicted with the effect of zonal flows to obtain the e-ITB in the low collisional regime when the radial variation of the particle anomalous diffusivity is included. Transport analysis in this article can newly show that the particle fuelling induces the IDB formation when this unified transport modelling is used in the high collisional regime. The density limit for the IDB in helical plasmas is also examined including the effect of the radiation loss. (author)

The Blood-Brain Barrier: An Engineering Perspective

Directory of Open Access Journals (Sweden)

Andrew eWong

2013-08-01

Full Text Available It has been more than 100 years since Paul Ehrlich reported that various water-soluble dyes injected into the circulation did not enter the brain. Since Ehrlich’s first experiments, only a small number of molecules, such as alcohol and caffeine have been found to cross the blood-brain barrier, and it remains the major roadblock to treatment of many central nervous system diseases. At the same time, many central nervous system diseases are associated with disruption of the blood-brain barrier that can lead to changes in permeability, modulation of immune cell transport, and trafficking of pathogens into the brain. Therefore advances in our understanding of the structure and function of the blood-brain barrier are key to advances in treatment of a wide range of central nervous system diseases. Over the past 10 years it has become recognized that the blood-brain barrier is a complex dynamic system that involves biomechanical and biochemical signaling between the vascular system and the brain. Here we reconstruct the structure, function, and transport properties of the blood-brain barrier from an engineering perspective. New insight into the physics of the blood-brain barrier could ultimately lead to clinical advances in the treatment of central nervous system diseases.

Opportunities and Barriers for Water Co-Governance—A Critical Analysis of Seven Cases of Diffuse Water Pollution from Agriculture in Europe, Australia and North America

Directory of Open Access Journals (Sweden)

Morten Graversgaard

2018-05-01

Full Text Available Diffuse Water Pollution from Agriculture (DWPA and its governance has received increased attention as a policy concern across the globe. Mitigation of DWPA is a complex problem that requires a mix of policy instruments and a multi-agency, broad societal response. In this paper, opportunities and barriers for developing co-governance, defined as collaborative societal involvement in the functions of government, and its suitability for mitigation of DWPA are reviewed using seven case studies in Europe (Poland, Denmark, Sweden, The Netherlands and UK, Australia (Murray-Darling Basin and North America (State of Minnesota. An analytical framework for assessing opportunities and barriers of co-governance was developed and applied in this review. Results indicated that five key issues constitute both opportunities and barriers, and include: (i pressure for change; (ii connected governance structures and allocation of resources and funding; (iii leadership and establishment of partnerships through capacity building; (iv use and co-production of knowledge; and (v time commitment to develop water co-governance.

Suppression of Lateral Diffusion and Surface Leakage Currents in nBn Photodetectors Using an Inverted Design

Science.gov (United States)

Du, X.; Savich, G. R.; Marozas, B. T.; Wicks, G. W.

2018-02-01

Surface leakage and lateral diffusion currents in InAs-based nBn photodetectors have been investigated. Devices fabricated using a shallow etch processing scheme that etches through the top contact and stops at the barrier exhibited large lateral diffusion current but undetectably low surface leakage. Such large lateral diffusion current significantly increased the dark current, especially in small devices, and causes pixel-to-pixel crosstalk in detector arrays. To eliminate the lateral diffusion current, two different approaches were examined. The conventional solution utilized a deep etch process, which etches through the top contact, barrier, and absorber. This deep etch processing scheme eliminated lateral diffusion, but introduced high surface current along the device mesa sidewalls, increasing the dark current. High device failure rate was also observed in deep-etched nBn structures. An alternative approach to limit lateral diffusion used an inverted nBn structure that has its absorber grown above the barrier. Like the shallow etch process on conventional nBn structures, the inverted nBn devices were fabricated with a processing scheme that only etches the top layer (the absorber, in this case) but avoids etching through the barrier. The results show that inverted nBn devices have the advantage of eliminating the lateral diffusion current without introducing elevated surface current.

Diffusion and adhesion properties of Cu films on polyimide substrates

International Nuclear Information System (INIS)

Liang, T.X.; Liu, Y.Q.; Fu, Z.Q.; Luo, T.Y.; Zhang, K.Y.

2005-01-01

Copper thin films were prepared on polyimide (PI) substrates by physical vapor deposition (PVD) and chemical vapor deposition (CVD). Titanium nitride (TiN) diffusion barrier layers were deposited between the copper films and the PI substrates by PVD. Auger electron spectroscopy compositional depth profile showed that TiN barrier layer was very effective in preventing copper diffusion into PI substrate even after the Cu/TiN/PI samples were annealed at 300 deg. C for 5 h. For the as-deposited CVD-Cu/PI, CVD-Cu/TiN/PI, and as-deposited PVD-Cu/PI samples, the residual stress in Cu films was very small. Relatively larger residual stress existed in Cu films for PVD-Cu/TiN/PI samples. For PVD-Cu/TiN/PI samples, annealing can increase the peeling strength to the level observed without a diffusion barrier. The adhesion improvement of Cu films by annealing treatment can be attributed to lowering of the residual tensile stress in Cu films

Lithium ion diffusion in Li4+xTi5O12: From ab initio studies

International Nuclear Information System (INIS)

Chen, Y.C.; Ouyang, C.Y.; Song, L.J.; Sun, Z.L.

2011-01-01

Highlights: → Li diffusion pathways in Li 4 Ti 5 O 12 and Li 7 Ti 5 O 12 are obtained from ab initio calculations. → Cooperative Li migration in Li 7+δ Ti 5 O 12 with very low energy barrier is proposed. → Li diffusion is faster in lithiated state than in delithiated state is confirmed theoretically. - Abstract: Lithium ion dynamics in Li 4+x Ti 5 O 12 spinel are investigated from first principles calculations. The diffusion pathways are optimized and the energy barriers of lithium migration under four types of dilute defect extremes: Li 4+δ Ti 5 O 12 , Li 4-δ Ti 5 O 12 , Li 7+δ Ti 5 O 12 and Li 7-δ Ti 5 O 12 (δ << 1) are calculated with the nudged elastic band method. Results show that lithium diffusion in the charged state (energy barriers are 1.0 and 0.7 eV for interstitial Li and Li vacancy diffusion, respectively) is much slower than in the discharged state (energy barriers are 0.13 and 0.35 eV for interstitial Li and Li vacancy diffusion, respectively). The diffusion coefficients are evaluated based on lattice gas model and hopping mechanism. The obtained results are compared with available experimental data within a two-phase co-existence framework.

The passage of a diffusible indicator through a microvascular system

Directory of Open Access Journals (Sweden)

Kislukhin Victor V

2013-02-01

Full Text Available Abstract The aim. (1 To develop a mathematical model of the passage of a diffusible indicator through microcirculation based on a stochastic description of diffusion and flow; (2 To use Goresky transform of the dilution curves of the diffusible indicators for the estimation of the permeability of a tissue-capillary barrier. The method. We assume that there are two causes for flow to be stochastic: (a All microvessels are divided between open and closed microvessels. There exists random exchange between the two groups. (b The flow through open microvessels is also random. We assume that each diffusing tracer has a probability to leave the intravascular space, and has a probability to return. We also assume that all considered processes are stationary (stability of microcirculation. Conclusion. (a The distribution of the time to pass microcirculation by diffusing indicator is given by a compound Poisson distribution; (b The permeability of tissue-capillary barrier can be obtained from the means, delay, and dispersions of the dilutions of intravascular and diffusing traces.

Histogram analysis of apparent diffusion coefficient for monitoring early response in patients with advanced cervical cancers undergoing concurrent chemo-radiotherapy.

Science.gov (United States)

Meng, Jie; Zhu, Lijing; Zhu, Li; Ge, Yun; He, Jian; Zhou, Zhengyang; Yang, Xiaofeng

2017-11-01

Background Apparent diffusion coefficient (ADC) histogram analysis has been widely used in determining tumor prognosis. Purpose To investigate the dynamic changes of ADC histogram parameters during concurrent chemo-radiotherapy (CCRT) in patients with advanced cervical cancers. Material and Methods This prospective study enrolled 32 patients with advanced cervical cancers undergoing CCRT who received diffusion-weighted (DW) magnetic resonance imaging (MRI) before CCRT, at the end of the second and fourth week during CCRT and one month after CCRT completion. The ADC histogram for the entire tumor volume was generated, and a series of histogram parameters was obtained. Dynamic changes of those parameters in cervical cancers were investigated as early biomarkers for treatment response. Results All histogram parameters except AUC low showed significant changes during CCRT (all P histogram parameters of cervical cancers changed significantly at the early stage of CCRT, indicating their potential in monitoring early tumor response to therapy.

Pulmonary dysfunction in advanced liver disease: frequent occurrence of an abnormal diffusing capacity

International Nuclear Information System (INIS)

Hourani, J.M.; Bellamy, P.E.; Tashkin, D.P.; Batra, P.; Simmons, M.S.

1991-01-01

Abnormalities in pulmonary function have been reported in association with chronic liver disease of varied etiology. The aim of this study was to better define the frequency and nature of these abnormalities in patients who were being evaluated for liver transplantation. We performed a battery of pulmonary function tests and chest radiographs in 116 consecutive patients (50 men, 66 women; aged 19 to 70 years, mean 44.6 years) with severe advanced liver disease who were hospitalized specifically for evaluation for possible orthotopic liver transplantation and were able to perform technically satisfactory tests. In 17 patients, quantitative whole-body technetium-99m macroaggregated albumin perfusion scanning was also performed for assessment of possible right-to-left shunting through intrapulmonary vascular dilatations. The most commonly affected test of lung function was the single-breath diffusing capacity for carbon monoxide (DLCO), which was abnormal in 48%, 45%, and 71% of patients who never smoked, former smokers, and current smokers, respectively. Ventilatory restriction was noted in 25% of all patients, airflow obstruction (reduced ratio of forced expiratory volume in 1 second to forced vital expiratory volume in 1 second to forced vital capacity) in only 3%, and a widened alveolar-arterial oxygen gradient in 45%. Diffusion impairment was accompanied by a restrictive defect in only 35% of the patients and by an abnormally widened alveolar-arterial oxygen gradient in 60%. When diffusion impairment was accompanied by an oxygenation defect, it was also associated with a significantly increased right-to-left shunt fraction (mean 24.9%) assessed from quantitative whole-body perfusion imaging

Effect of W addition on the electroless deposited NiP(W) barrier layer

International Nuclear Information System (INIS)

Tao, Yishi; Hu, Anmin; Hang, Tao; Peng, Li; Li, Ming

2013-01-01

Electroless deposition of NiP, NiWP thin film on p-type Si as the barrier layer to prevent the diffusion of Cu into Si was investigated. The thermal stability of the Si/Ni(W)P/Cu layers were evaluated by measuring the changes of resistance of the samples after annealed at various temperatures. XRD was applied to detect the formation of Cu 3 Si and evaluate the barrier performance of the layers. The results of XRD of the stacked Si/NiP/Cu, Si/NiWP-1/Cu, Si/NiWP–2/Cu films reveal that Cu atom could diffuse through NiP barrier layer at 450 °C, Cu could hardly diffuse through NiWP layer at 550 °C. This means that with W added in the layer, the barrier performance is improved. Although the resistance of Si/NiWP-1 and Si/NiWP-2 are higher than that of Si/NiP, the resistance of stacked layers of Si/NiWP-1/Cu and Si/NiWP–2/Cu are close to that of Si/NiP/Cu. This means that using NiWP as barrier layer is acceptable.

Thermodynamics, diffusion and the Kirkendall effect in solids

CERN Document Server

Paul, Aloke; Vuorinen, Vesa; Divinski, Sergiy V

2014-01-01

Covering both basic and advanced thermodynamic and phase  principles,  as well as providing stability diagrams relevant for diffusion studies, Thermodynamics, Diffusion and the Kirkendall Effect in Solids maximizes reader insights into Fick’s laws of diffusion, atomic mechanisms, interdiffusion, intrinsic diffusion, tracer diffusion and the Kirkendall effect. Recent advances in the area of interdiffusion will be introduced, while the many practical examples and large number of illustrations given will serve to aid researches working in this area in learning the practical evaluation of various diffusion parameters from experimental results. With a unique approach to the two main focal points in solid state transformations, energetics (thermodynamics) and kinetics (interdiffusion) are extensively studied and their combined use in practise is discussed. Recent developments in the area of Kirkendall effect, grain boundary diffusion and multicomponent diffusion are also covered extensively. This book will appe...

Investigation of oxidation resistance of Ni-Ti film used as oxygen diffusion barrier layer

International Nuclear Information System (INIS)

Liu, B.T.; Yan, X.B.; Zhang, X.; Zhou, Y.; Guo, Y.N.; Bian, F.; Zhang, X.Y.

2009-01-01

Ni-Ti films prepared at 10 W and 70 W by rf magnetron sputtering are investigated as the oxygen diffusion barrier layer, it is found that crystallinity of Ni-Ti film does not greatly depend on the deposition power. X-ray photoelectron spectroscopy indicates that Ni is still in the form of metallic state from the binding energies of both Ni 2p 3/2 and Ni 2p 1/2 spectra for the sample with 10 W prepared Ni-Ti, however, Ni is oxidized for 70 W prepared Ni-Ti film. Moreover, the (La 0.5 Sr 0.5 )CoO 3 /Pb(Zr 0.40 Ti 0.60 )O 3 /(La 0.5 Sr 0.5 )CoO 3 capacitor grown on high power prepared Ni-Ti film is leaky, however, the capacitor on low power prepared Ni-Ti film possesses very promising physical properties (i.e. remnant polarization of ∼27 μC/cm 2 at 5 V and maximum dielectric constant of 940). Leakage current density of the capacitor grown on low power prepared Ni-Ti film is further investigated, it meets ohmic behavior ( 1.0 V).

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α-Fe-Si alloys

Science.gov (United States)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.; Mathaudhu, Suveen; Rohatgi, Aashish

2018-01-01

Diffusion of Si atom and vacancy in the A2-phase of α-Fe-Si alloys in the ferromagnetic state, with and without magnetic order and in various temperature ranges, are studied using AKSOME, an on-lattice self-learning KMC code. Diffusion of the Si atom and the vacancy are studied in the dilute limit and up to 12 at.% Si, respectively, in the temperature range 350-700 K. Local Si neighborhood dependent activation energies for vacancy hops were calculated on-the-fly using a broken-bond model based on pairwise interaction. The migration barrier and prefactor for the Si diffusion in the dilute limit were obtained and found to agree with published data within the limits of uncertainty. Simulations results show that the prefactor and the migration barrier for the Si diffusion are approximately an order of magnitude higher, and a tenth of an electron-volt higher, respectively, in the magnetic disordered state than in the fully ordered state. However, the net result is that magnetic disorder does not have a significant effect on Si diffusivity within the range of parameters studied in this work. Nevertheless, with increasing temperature, the magnetic disorder increases and its effect on the Si diffusivity also increases. In the case of vacancy diffusion, with increasing Si concentration, its diffusion prefactor decreases while the migration barrier more or less remained constant and the effect of magnetic disorder increases with Si concentration. Important vacancy-Si/Fe atom exchange processes and their activation barriers were identified, and the effect of energetics on ordered phase formation in Fe-Si alloys are discussed.

Inter-diffusion study of rhodium and tantalum by RBS

International Nuclear Information System (INIS)

Nuttens, V.E.; Hubert, R.L.; Bodart, F.; Lucas, S.

2005-01-01

The inter-diffusion of rhodium and tantalum has been studied with the goal of synthesizing an alloy acting as a diffusion barrier for high temperature applications. Rh/Ta sandwiched samples were annealed in vacuum at temperature ranging from 800 to 900 deg. C and from 1000 to 1075 deg. C. The diffusion profiles were obtained by RBS. They suggest the formation of two clearly different phases in each temperature range considered

Advanced Environmental Barrier Coating and SA Tyrannohex SiC Composites Integration for Improved Thermomechanical and Environmental Durability

Science.gov (United States)

Zhu, Dongming; Halbig, Michael; Singh, Mrityunjay

2018-01-01

The development of 2700 degF capable environmental barrier coating (EBC) systems, particularly, the Rare Earth "Hafnium" Silicon bond coat systems, have significantly improved the temperature capability and environmental stability of SiC/SiC Ceramic Matrix Composite Systems. We have specifically developed the advanced 2700 degF EBC systems, integrating the EBC to the high temperature SA Tyrannohex SiC fiber composites, for comprehensive performance and durability evaluations for potential turbine engine airfoil component applications. The fundamental mechanical properties, environmental stability and thermal gradient cyclic durability performance of the EBC - SA Tyrannohex composites were investigated. The paper will particularly emphasize the high pressure combustion rig recession, cyclic thermal stress resistance and thermomechanical low cycle fatigue testing of uncoated and environmental barrier coated Tyrannohex SiC SA composites in these simulated turbine engine combustion water vapor, thermal gradients, and mechanical loading conditions. We have also investigated high heat flux and flexural fatigue degradation mechanisms, determined the upper limits of operating temperature conditions for the coated SA composite material systems in thermomechanical fatigue conditions. Recent progress has also been made by using the self-healing rare earth-silicon based EBCs, thus enhancing the SA composite hexagonal fiber columns bonding for improved thermomechanical and environmental durability in turbine engine operation environments. More advanced EBC- composite systems based on the new EBC-Fiber Interphases will also be discussed.

Explanation of the barrier-depression effect in ceramics undergoing microwave heating

International Nuclear Information System (INIS)

Kenkre, V.M.; Kus, M.; Katz, J.D.

1992-01-01

Thermal runaway observations on a variety of materials including strontium titanate, zinc oxide, iron oxide, and alumina, have been explained successfully in terms of a recent theory, which involves absorbing entities such as vacancies, bivacancies, or interstitials, which have to overcome an energy barrier in order to absorb microwaves to a significant extent. However, there is a tendency, unexplained so far, for the energy-barrier values extracted in this fashion to be slightly smaller than those obtained from diffusion measurements. The source of this systematic discrepancy is discovered through the application of a stochastic analysis of the mobility of the ceramic materials. New barrier values are obtained from the thermal runaway observations and found to be in better agreement with diffusion experiments

Tracer diffusion in compacted, water-saturated bentonite

International Nuclear Information System (INIS)

Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

2005-01-01

Compacted Na-bentonite clay barriers, widely used in the isolation of solid-waste landfills and other contaminated sites, have been proposed for a similar use in the disposal of high-level radioactive waste. Molecular diffusion through the pore space in these barriers plays a key role in their performance, thus motivating recent measurements of the apparent diffusion coefficient tensor of water tracers in compacted, water-saturated Na-bentonites. In the present study, we introduce a conceptual model in which the pore space of water-saturated bentonite is divided into 'macropore' and 'interlayer nanopore' compartments. With this model we determine quantitatively the relative contributions of pore-network geometry (expressed as a geometric factor) and of the diffusive behavior of water molecules near montmorillonite basal surfaces(expressed as a contrastivity factor) to the apparent diffusion coefficient tensor. Our model predicts, in agreement with experiment, that the mean principal value of the apparent diffusion coefficient tensor follows a single relationship when plotted against the partial montmorillonite dry density (mass of montmorillonite per combined volume of montmorillonite and pore space). Using a single fitted parameter, the mean principal geometric factor, our model successfully describes this relationship for a broad range of bentonite-water system, from dilute gel to highly-compacted bentonite with 80 percent of its pore water in interlayer nanopores

The effect of step thickness on the surface diffusion of a Pt adatom

International Nuclear Information System (INIS)

Yang, Jianyu; Deng, Yonghe; Xiao, Gang; Hu, Wangyu; Chen, Shuguang

2009-01-01

The diffusion of a single Pt adatom on the Pt(1 1 1) surface with {1 1 1}-faceted steps is studied using a combination of molecular dynamics and the nudged elastic band method. The interatomic interactions are described with the analytic embedded atom method. The simulation indicates that before diffusion across the descending step, the adatom becomes trapped at the step edge, and has to overcome an energy barrier to return the plane's center. The energy barrier for adatom migration to the step edge is almost independent of step thickness. In addition, the step thickness dependence of the diffusion energy barrier for the adatom over descending and ascending steps edge is obtained. For a monolayer step, the upward diffusion of the adatom to the {1 1 1}-faceted steps is very rare as compared with the downward diffusion. However, the probability of the adatom to ascend the {1 1 1}-faceted steps increases with increasing step thickness. The calculated character temperatures indicate the three-dimensional pyramidal island on the clean Pt(1 1 1) surface can be formed at higher temperature

Diffus lungesygdom hos børn

DEFF Research Database (Denmark)

Buchvald, Frederik; Nielsen, Kim G

2014-01-01

Diffuse lung disease in children represents a heterogeneous group of respiratory disorders with high morbidity and mortality. Typical features include tachypnoea, failure to thrive, diffuse radiological and histopathological abnormalities. Advances in genetics and pathophysiology, combined...

Outer brain barriers in rat and human development

DEFF Research Database (Denmark)

Brøchner, Christian B; Holst, Camilla Bjørnbak; Møllgård, Kjeld

2015-01-01

Complex barriers at the brain's surface, particularly in development, are poorly defined. In the adult, arachnoid blood-cerebrospinal fluid (CSF) barrier separates the fenestrated dural vessels from the CSF by means of a cell layer joined by tight junctions. Outer CSF-brain barrier provides...... diffusion restriction between brain and subarachnoid CSF through an initial radial glial end feet layer covered with a pial surface layer. To further characterize these interfaces we examined embryonic rat brains from E10 to P0 and forebrains from human embryos and fetuses (6-21st weeks post...

Meyer-Neldel rule for Cu (I) diffusion in In{sub 2}S{sub 3} layers

Energy Technology Data Exchange (ETDEWEB)

Juma, Albert, E-mail: albert.juma@helmholtz-berlin.de; Dittrich, Thomas [Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Wafula, Henry [Masinde Muliro University of Science and Technology, P.O. Box 190-50100, Kakamega (Kenya); Wendler, Elke [Institut für Festkörperphysik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena (Germany)

2014-02-07

The nature of barriers for atomic transport in In{sub 2}S{sub 3} layers has been varied by addition of chlorine. Diffusion of Cu(I) from a removable CuSCN source was used to probe the variation of the barriers. The Meyer-Neldel (compensation) rule was observed with a Meyer-Neldel energy (E{sub MN}) and a proportionality prefactor (D{sub 00}) amounting to 40 meV and 5 × 10{sup −14} cm{sup 2}/s, respectively. D{sub 00} shows that the elementary excitation step is independent of the specific mechanism and nature of the barrier including different densities of Cl in In{sub 2}S{sub 3}. The value of E{sub MN} implies that coupling of the diffusing species to an optical-phonon bath is the source of the multiple excitations supplying the energy to overcome the diffusion barriers.

Highly conformal SiO2/Al2O3 nanolaminate gas-diffusion barriers for large-area flexible electronics applications

International Nuclear Information System (INIS)

Choi, Jin-Hwan; Kim, Young-Min; Park, Young-Wook; Park, Tae-Hyun; Jeong, Jin-Wook; Choi, Hyun-Ju; Song, Eun-Ho; Ju, Byeong-Kwon; Lee, Jin-Woo; Kim, Cheol-Ho

2010-01-01

The present study demonstrates a flexible gas-diffusion barrier film, containing an SiO 2 /Al 2 O 3 nanolaminate on a plastic substrate. Highly uniform and conformal coatings can be made by alternating the exposure of a flexible polyethersulfone surface to vapors of SiO 2 and Al 2 O 3 , at nanoscale thickness cycles via RF-magnetron sputtering deposition. The calcium degradation test indicates that 24 cycles of a 10/10 nm inorganic bilayer, top-coated by UV-cured resin, greatly enhance the barrier performance, with a permeation rate of 3.79 x 10 -5 g m -2 day -1 based on the change in the ohmic behavior of the calcium sensor at 20 deg. C and 50% relative humidity. Also, the permeation rate for 30 cycles of an 8/8 nm inorganic bilayer coated with UV resin was beyond the limited measurable range of the Ca test at 60 deg. C and 95% relative humidity. It has been found that such laminate films can effectively suppress the void defects of a single inorganic layer, and are significantly less sensitive against moisture permeation. This nanostructure, fabricated by an RF-sputtering process at room temperature, is verified as being useful for highly water-sensitive organic electronics fabricated on plastic substrates.

Self-learning kinetic Monte Carlo simulations of diffusion in ferromagnetic α -Fe–Si alloys

Energy Technology Data Exchange (ETDEWEB)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.; Mathaudhu, Suveen; Rohatgi, Aashish

2017-12-19

Diffusion in α-Fe-Si alloys is studied using AKSOME, an on-lattice self-learning KMC code, in the ferromagnetic state. Si diffusivity in the α-Fe matrix were obtained with and without the magnetic disorder in various temperature ranges. In addition we studied vacancy diffusivity in ferromagnetic α-Fe at various Si concentrations up to 12.5at.% in the temperature range of 350–550 K. The results were compared with available experimental and theoretical values in the literature. Local Si-atom dependent activation energies for vacancy hops were calculated using a broken-model and were stored in a database. The migration barrier and prefactors for Si-diffusivity were found to be in reasonable agreement with available modeling results in the literature. Magnetic disorder has a larger effect on the prefactor than on the migration barrier. Prefactor was approximately an order of magnitude and the migration barrier a tenth of an electron-volt higher with magnetic disorder when compared to a fully ferromagnetic ordered state. In addition, the correlation between various have a larger effect on the Si-diffusivity extracted in various temperature range than the magnetic disorder. In the case of vacancy diffusivity, the migration barrier more or less remained constant while the prefactor decreased with increasing Si concentration in the disordered or A2-phase of Fe-Si alloy. Important vacancy-Si/Fe atom exchange processes and their activation barriers were also identified and discuss the effect of energetics on the formation of ordered phases in Fe-Si alloys.

Barriers to Professional Advancement among Female Managers.

Science.gov (United States)

O'Leary, Virginia E.

It appears that there is nothing inherently associated with femaleness which should preclude the ascendence of women into management positions. However, barriers do exist and they stem from such factors as societal sex-role stereotypes, attitudes toward women in management, attitudes toward female competence, and the prevalence of the male…

The blood-tendon barrier: identification and characterisation of a novel tissue barrier in tendon blood vessels

Directory of Open Access Journals (Sweden)

C Lehner

2016-05-01

Full Text Available Tissue barriers function as “gate keepers” between different compartments (usually blood and tissue and are formed by specialised membrane-associated proteins, localising to the apicolateral plasma membrane domain of epithelial and endothelial cells. By sealing the paracellular space, the free diffusion of solutes and molecules across epithelia and endothelia is impeded. Thereby, tissue barriers contribute to the establishment and maintenance of a distinct internal and external environment, which is crucial during organ development and allows maintenance of an organ-specific homeostatic milieu. So far, various epithelial and endothelial tissue barriers have been described, including the blood-brain barrier, the blood-retina barrier, the blood-testis barrier, the blood-placenta barrier, and the cerebrospinal fluid (CSF-brain barrier, which are vital for physiological function and any disturbance of these barriers can result in severe organ damage or even death. Here, we describe the identification of a novel barrier, located in the vascular bed of tendons, which we term the blood-tendon barrier (BTB. By using immunohistochemistry, transmission electron microscopy, and tracer studies we demonstrate the presence of a functional endothelial barrier within tendons restricting the passage of large blood-borne molecules into the surrounding tendon tissue. We further provide in vitro evidence that the BTB potentially contributes to the creation of a distinct internal tissue environment impacting upon the proliferation and differentiation of tendon-resident cells, effects which might be fundamental for the onset of tendon pathologies.

Mucus as a Barrier to Drug Delivery

DEFF Research Database (Denmark)

Bøgh, Marie; Nielsen, Hanne Mørck

2015-01-01

Viscoelastic mucus lines all mucosal surfaces of the body and forms a potential barrier to mucosal drug delivery. Mucus is mainly composed of water and mucins; high-molecular weight glycoproteins forming an entangled network. Consequently, mucus forms a steric barrier and due to its negative charge...... barrier to drug delivery. Current knowledge of mucus characteristics and barrier properties, as achieved by state-of-the-art methodologies, is the topic of this MiniReview emphasizing the gastrointestinal mucus and an overall focus on oral drug delivery. Cell culture-based in vitro models are well......, studies of peptide and protein drug diffusion in and through mucus and studies of mucus-penetrating nanoparticles are included to illustrate the mucus as a potentially important barrier to obtain sufficient bioavailability of orally administered drugs, and thus an important parameter to address...

Barriers and strategies for the clinical translation of advanced orthopaedic tissue engineering protocols.

Science.gov (United States)

Madry, H; Alini, M; Stoddart, M J; Evans, C; Miclau, T; Steiner, S

2014-05-06

Research in orthopaedic tissue engineering has intensified over the last decade and new protocols continue to emerge. The clinical translation of these new applications, however, remains associated with a number of obstacles. This report highlights the major issues that impede the clinical translation of advanced tissue engineering concepts, discusses strategies to overcome these barriers, and examines the need to increase incentives for translational strategies. The statements are based on presentations and discussions held at the AO Foundation-sponsored symposium "Where Science meets Clinics 2013" held at the Congress Center in Davos, Switzerland, in September, 2013. The event organisers convened a diverse group of over one hundred stakeholders involved in clinical translation of orthopaedic tissue engineering, including scientists, clinicians, healthcare industry professionals and regulatory agency representatives. A major point that emerged from the discussions was that there continues to be a critical need for early trans-disciplinary communication and collaboration in the development and execution of research approaches. Equally importantly was the need to address the shortage of sustained funding programs for multidisciplinary teams conducting translational research. Such detailed discussions between experts contribute towards the development of a roadmap to more successfully advance the clinical translation of novel tissue engineering concepts and ultimately improve patient care in orthopaedic and trauma surgery.

Barriers and strategies for the clinical translation of advanced orthopaedic tissue engineering protocols

Directory of Open Access Journals (Sweden)

H Madry

2014-05-01

Full Text Available Research in orthopaedic tissue engineering has intensified over the last decade and new protocols continue to emerge. The clinical translation of these new applications, however, remains associated with a number of obstacles. This report highlights the major issues that impede the clinical translation of advanced tissue engineering concepts, discusses strategies to overcome these barriers, and examines the need to increase incentives for translational strategies. The statements are based on presentations and discussions held at the AO Foundation-sponsored symposium "Where Science meets Clinics 2013" held at the Congress Center in Davos, Switzerland, in September, 2013. The event organisers convened a diverse group of over one hundred stakeholders involved in clinical translation of orthopaedic tissue engineering, including scientists, clinicians, healthcare industry professionals and regulatory agency representatives. A major point that emerged from the discussions was that there continues to be a critical need for early trans-disciplinary communication and collaboration in the development and execution of research approaches. Equally importantly was the need to address the shortage of sustained funding programs for multidisciplinary teams conducting translational research. Such detailed discussions between experts contribute towards the development of a roadmap to more successfully advance the clinical translation of novel tissue engineering concepts and ultimately improve patient care in orthopaedic and trauma surgery.

Vertical barriers with increased sorption capacities

International Nuclear Information System (INIS)

Bradl, H.B.

1997-01-01

Vertical barriers are commonly used for the containment of contaminated areas. Due to the very small permeability of the barrier material which is usually in the order of magnitude of 10-10 m/s or less the advective contaminant transport can be more or less neglected. Nevertheless, there will always be a diffusive contaminant transport through the barrier which is caused by the concentration gradient. Investigations have been made to increase the sorption capacity of the barrier material by adding substances such as organoclays, zeolites, inorganic oxides and fly ashes. The contaminants taken into account where heavy metals (Pb) and for organic contaminants Toluole and Phenantrene. The paper presents results of model calculations and experiments. As a result, barrier materials can be designed 'tailor-made' depending on the individual contaminant range of each site (e.g. landfills, gasworks etc.). The parameters relevant for construction such as rheological properties, compressive strength and permeability are not affected by the addition of the sorbents

Engineering kinetic barriers in copper metallization

International Nuclear Information System (INIS)

Huang Hanchen; Wei, H.L.; Woo, C.H.; Zhang, X.X.

2002-01-01

In metallization processes of integrated circuits, it is desirable to deposit the metal lines (aluminum or copper) fast and at low temperatures. However, the lines (films) usually consist of undesirable columns and voids, because of the absence of sufficient diffusion--a direct result of large kinetic barriers. Following the proposal and realization of the three-dimensional Ehrlich-Schwoebel (3D ES) barrier, we present here a method to engineer this kinetic barrier so as to improve quality of deposited copper films. We deposit copper films by magnetron sputtering, characterize the film structure and texture by using the scanning electron microscope and the x-ray diffraction, respectively. Taking indium as surfactant during copper deposition, we have achieved much better density and bottom coverage of copper filled trenches. The characterizations show that the improvement is the result of the 3D ES barrier reduction caused by indium addition. Engineering the 3D ES barrier therefore leads to improved film quality

NASA's Advanced Environmental Barrier Coatings Development for SiC/SiC Ceramic Matrix Composites: Understanding Calcium Magnesium Alumino-Silicate (CMAS) Degradations and Resistance

Science.gov (United States)

Zhu, Dongming

2014-01-01

Environmental barrier coatings (EBCs) and SiCSiC ceramic matrix composites (CMCs) systems will play a crucial role in next generation turbine engines for hot-section component applications because of their ability to significantly increase engine operating temperatures with improved efficiency, reduce engine weight and cooling requirements. The development of prime-reliant environmental barrier coatings is essential to the viability and reliability of the envisioned CMC engine component applications, ensuring integrated EBC-CMC system durability and designs are achievable for successful applications of the game-changing component technologies and lifing methodologies.This paper will emphasize recent NASA environmental barrier coating developments for SiCSiC turbine airfoil components, utilizing advanced coating compositions, state-of-the-art processing methods, and combined mechanical and environment testing and durability evaluations. The coating-CMC degradations in the engine fatigue-creep and operating environments are particularly complex; one of the important coating development aspects is to better understand engine environmental interactions and coating life debits, and we have particularly addressed the effect of Calcium-Magnesium-Alumino-Silicate (CMAS) from road sand or volcano-ash deposits on the durability of the environmental barrier coating systems, and how the temperature capability, stability and cyclic life of the candidate rare earth oxide and silicate coating systems will be impacted in the presence of the CMAS at high temperatures and under simulated heat flux conditions. Advanced environmental barrier coating systems, including HfO2-Si with rare earth dopant based bond coat systems, will be discussed for the performance improvements to achieve better temperature capability and CMAS resistance for future engine operating conditions.

Stereological estimation of surface area and barrier thickness of fish gills in vertical sections.

Science.gov (United States)

Da Costa, Oscar T F; Pedretti, Ana Carolina E; Schmitz, Anke; Perry, Steven F; Fernandes, Marisa N

2007-01-01

Previous morphometric methods for estimation of the volume of components, surface area and thickness of the diffusion barrier in fish gills have taken advantage of the highly ordered structure of these organs for sampling and surface area estimations, whereas the thickness of the diffusion barrier has been measured orthogonally on perpendicularly sectioned material at subjectively selected sites. Although intuitively logical, these procedures do not have a demonstrated mathematical basis, do not involve random sampling and measurement techniques, and are not applicable to the gills of all fish. The present stereological methods apply the principles of surface area estimation in vertical uniform random sections to the gills of the Brazilian teleost Arapaima gigas. The tissue was taken from the entire gill apparatus of the right-hand or left-hand side (selected at random) of the fish by systematic random sampling and embedded in glycol methacrylate for light microscopy. Arches from the other side were embedded in Epoxy resin. Reference volume was estimated by the Cavalieri method in the same vertical sections that were used for surface density and volume density measurements. The harmonic mean barrier thickness of the water-blood diffusion barrier was calculated from measurements taken along randomly selected orientation lines that were sine-weighted relative to the vertical axis. The values thus obtained for the anatomical diffusion factor (surface area divided by barrier thickness) compare favourably with those obtained for other sluggish fish using existing methods.

A theoretical study of hydrogen atoms adsorption and diffusion on PuO_2 (110) surface

International Nuclear Information System (INIS)

Yu, H.L.; Tang, T.; Zheng, S.T.; Shi, Y.; Qiu, R.Z.; Luo, W.H.; Meng, D.Q.

2016-01-01

The mechanisms of adsorption and diffusion of hydrogen atoms on the PuO_2 (110) surface are investigated by density functional theory corrected for onsite Coulombic interactions (GGA + U). In order to find out the energetically more favorable adsorption site and optimum diffusion path, adsorption energy of atomic H on various sites and the diffusion energy barrier are derived and compared. Our results show that both chemisorption and physisorption exist for H atoms adsorption configurations on PuO_2 (110) surface. Two processes for H diffusion are investigated using the climbing nudged-elastic-band (cNEB) approach. We have identified two diffusion mechanisms, leading to migration of atomic H on the surface and diffusion from surface to subsurface. The energy barriers indicate that it is energetically more favorable for H atom to be on the surface. Hydrogen permeation through purity PuO_2 surface is mainly inhibited from hydrogen atom diffusion from surface to subsurface. - Highlights: • H atoms adsorption on PuO_2 (110) surface are investigated by GGA + U. • Both chemisorption and physisorption exist for H atoms adsorption configurations. • H atoms migration into PuO_2 (100) surface are inhibited with the barrier of 2.15 eV. • H atoms diffusion on PuO_2 (110) surface are difficult at room temperature.

Sodium diffusion in boroaluminosilicate glasses

DEFF Research Database (Denmark)

Smedskjaer, Morten M.; Zheng, Qiuju; Mauro, John C.

2011-01-01

of isothermal sodium diffusion in BAS glasses by ion exchange, inward diffusion, and tracer diffusion experiments. By varying the [SiO2]/[Al2O3] ratio of the glasses, different structural regimes of sodium behavior are accessed. We show that the mobility of the sodium ions decreases with increasing [SiO2]/[Al2O......Understanding the fundamentals of alkali diffusion in boroaluminosilicate (BAS) glasses is of critical importance for advanced glass applications, e.g., the production of chemically strengthened glass covers for personal electronic devices. Here, we investigate the composition dependence...

Development of advanced methods for analysis of experimental data in diffusion

Science.gov (United States)

Jaques, Alonso V.

There are numerous experimental configurations and data analysis techniques for the characterization of diffusion phenomena. However, the mathematical methods for estimating diffusivities traditionally do not take into account the effects of experimental errors in the data, and often require smooth, noiseless data sets to perform the necessary analysis steps. The current methods used for data smoothing require strong assumptions which can introduce numerical "artifacts" into the data, affecting confidence in the estimated parameters. The Boltzmann-Matano method is used extensively in the determination of concentration - dependent diffusivities, D(C), in alloys. In the course of analyzing experimental data, numerical integrations and differentiations of the concentration profile are performed. These methods require smoothing of the data prior to analysis. We present here an approach to the Boltzmann-Matano method that is based on a regularization method to estimate a differentiation operation on the data, i.e., estimate the concentration gradient term, which is important in the analysis process for determining the diffusivity. This approach, therefore, has the potential to be less subjective, and in numerical simulations shows an increased accuracy in the estimated diffusion coefficients. We present a regression approach to estimate linear multicomponent diffusion coefficients that eliminates the need pre-treat or pre-condition the concentration profile. This approach fits the data to a functional form of the mathematical expression for the concentration profile, and allows us to determine the diffusivity matrix directly from the fitted parameters. Reformulation of the equation for the analytical solution is done in order to reduce the size of the problem and accelerate the convergence. The objective function for the regression can incorporate point estimations for error in the concentration, improving the statistical confidence in the estimated diffusivity matrix

Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg

International Nuclear Information System (INIS)

Nandipati, Giridhar; Govind, Niranjan; Andersen, Amity; Rohatgi, Aashish

2016-01-01

Vacancy-mediated diffusion of an Al atom in the pure Mg matrix is studied using the atomistic, on-lattice self-learning kinetic Monte Carlo (SLKMC) method. Activation barriers for vacancy-Mg and vacancy-Al atom exchange processes are calculated on the fly using the climbing image nudged-elastic-band method and binary Mg–Al modified embedded-atom method interatomic potential. Diffusivities of an Al atom obtained from SLKMC simulations show the same behavior as observed in experimental and theoretical studies available in the literature; that is, an Al atom diffuses faster within the basal plane than along the c-axis. Although the effective activation barriers for an Al atom diffusion from SLKMC simulations are close to experimental and theoretical values, the effective prefactors are lower than those obtained from experiments. We present all the possible vacancy-Mg and vacancy-Al atom exchange processes and their activation barriers identified in SLKMC simulations. A simple mapping scheme to map an HCP lattice onto a simple cubic lattice is described, which enables simulation of the HCP lattice using the on-lattice framework. We also present the pattern recognition scheme which is used in SLKMC simulations to identify the local Al atom configuration around a vacancy. (paper)

Fuel Thermo-physical Characterization Project: Evaluation of Models to Calculate Thermal Diffusivity of Layered Composites

Energy Technology Data Exchange (ETDEWEB)

Burkes, Douglas [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Casella, Amanda J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Gardner, Levi D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Casella, Andrew M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Huber, Tanja K. [Technische Universität München, Munich (Germany); Breitkreutz, Harald [Technische Universität München, Munich (Germany)

2015-02-11

The Office of Material Management and Minimization Fuel Thermo-physical Characterization Project at Pacific Northwest National Laboratory (PNNL) is tasked with using PNNL facilities and processes to receive irradiated low enriched uranium-molybdenum fuel plate samples and perform analyses in support of the Office of Material Management and Minimization Reactor Conversion Program. This work is in support of the Fuel Development Pillar that is managed by Idaho National Laboratory. A key portion of the scope associated with this project was to measure the thermal properties of fuel segments harvested from plates that were irradiated in the Advanced Test Reactor. Thermal diffusivity of samples prepared from the fuel segments was measured using laser flash analysis. Two models, one developed by PNNL and the other developed by the Technische Universität München (TUM), were evaluated to extract the thermal diffusivity of the uranium-molybdenum alloy from measurements made on the irradiated, layered composites. The experimental data of the “TC” irradiated fuel segment was evaluated using both models considering a three-layer and five-layer system. Both models are in acceptable agreement with one another and indicate that the zirconium diffusion barrier has a minimal impact on the overall thermal diffusivity of the monolithic U-Mo fuel.

High Speed, Low Cost Fabrication of Gas Diffusion Electrodes for Membrane Electrode Assemblies

Energy Technology Data Exchange (ETDEWEB)

DeCastro, Emory S.; Tsou, Yu-Min; Liu, Zhenyu

2013-09-20

Fabrication of membrane electrode assemblies (MEAs) depends on creating inks or pastes of catalyst and binder, and applying this suspension to either the membrane (catalyst coated membrane) or gas diffusion media (gas diffusion electrode) and respectively laminating either gas diffusion media or gas diffusion electrodes (GDEs) to the membrane. One barrier to cost effective fabrication for either of these approaches is the development of stable and consistent suspensions. This program investigated the fundamental forces that destabilize the suspensions and developed innovative approaches to create new, highly stable formulations. These more concentrated formulations needed fewer application passes, could be coated over longer and wider substrates, and resulted in significantly lower coating defects. In March of 2012 BASF Fuel Cell released a new high temperature product based on these advances, whereby our customers received higher performing, more uniform MEAs resulting in higher stack build yields. Furthermore, these new materials resulted in an “instant” increase in capacity due to higher product yields and material throughput. Although not part of the original scope of this program, these new formulations have also led us to materials that demonstrate equivalent performance with 30% less precious metal in the anode. This program has achieved two key milestones in DOE’s Manufacturing R&D program: demonstration of processes for direct coating of electrodes and continuous in-line measurement for component fabrication.

Renewable energy diffusion in Asia: Can it happen without government support?

International Nuclear Information System (INIS)

Dulal, Hari Bansha; Shah, Kalim U.; Sapkota, Chandan; Uma, Gengaiah; Kandel, Bibek R.

2013-01-01

The dramatically increasing population of Asia necessitates equally as dramatic increase in energy supply to meet demand. Rapidly increasing energy demand is a major concern for Asian countries because the increase in demand is being met through the increased use of fossil fuel supply, largely domestic coal and imported fuel. Renewable energy supply presents a lower emission pathway that could be a viable option for steering off the higher emissions path. However, several market, economic, institutional, technical, and socio-cultural barriers hinder countries in moving from high to low emission pathway. Following a discussion on the rising demand for energy in Asia and the prospects of partly satisfying it with renewable energy, we outline the reasons for government support to tackle the barriers for widespread diffusion of grid-based renewable energy. Additionally, we also discuss workable models for strategic government intervention to support diffusion of grid-based renewable energy in Asia. - Highlights: • Barriers to the diffusion of renewable energy technologies are identified. • Argues that renewable energy policy frameworks are inadequate in Asia. • Models for strategic government intervention are suggested

Barrier Coatings for Refractory Metals and Superalloys

Energy Technology Data Exchange (ETDEWEB)

SM Sabol; BT Randall; JD Edington; CJ Larkin; BJ Close

2006-02-23

In the closed working fluid loop of the proposed Prometheus space nuclear power plant (SNPP), there is the potential for reaction of core and plant structural materials with gas phase impurities and gas phase transport of interstitial elements between superalloy and refractory metal alloy components during service. Primary concerns are surface oxidation, interstitial embrittlement of refractory metals and decarburization of superalloys. In parallel with kinetic investigations, this letter evaluates the ability of potential coatings to prevent or impede communication between reactor and plant components. Key coating requirements are identified and current technology coating materials are reviewed relative to these requirements. Candidate coatings are identified for future evaluation based on current knowledge of design parameters and anticipated environment. Coatings were identified for superalloys and refractory metals to provide diffusion barriers to interstitial transport and act as reactive barriers to potential oxidation. Due to their high stability at low oxygen potential, alumina formers are most promising for oxidation protection given the anticipated coolant gas chemistry. A sublayer of iridium is recommended to provide inherent diffusion resistance to interstitials. Based on specific base metal selection, a thin film substrate--coating interdiffusion barrier layer may be necessary to meet mission life.

Barrier Coatings for Refractory Metals and Superalloys

International Nuclear Information System (INIS)

SM Sabol; BT Randall; JD Edington; CJ Larkin; BJ Close

2006-01-01

In the closed working fluid loop of the proposed Prometheus space nuclear power plant (SNPP), there is the potential for reaction of core and plant structural materials with gas phase impurities and gas phase transport of interstitial elements between superalloy and refractory metal alloy components during service. Primary concerns are surface oxidation, interstitial embrittlement of refractory metals and decarburization of superalloys. In parallel with kinetic investigations, this letter evaluates the ability of potential coatings to prevent or impede communication between reactor and plant components. Key coating requirements are identified and current technology coating materials are reviewed relative to these requirements. Candidate coatings are identified for future evaluation based on current knowledge of design parameters and anticipated environment. Coatings were identified for superalloys and refractory metals to provide diffusion barriers to interstitial transport and act as reactive barriers to potential oxidation. Due to their high stability at low oxygen potential, alumina formers are most promising for oxidation protection given the anticipated coolant gas chemistry. A sublayer of iridium is recommended to provide inherent diffusion resistance to interstitials. Based on specific base metal selection, a thin film substrate--coating interdiffusion barrier layer may be necessary to meet mission life

Dopant-Modulating Mechanism of Lithium Adsorption and Diffusion at the Graphene /Li2S Interface

Science.gov (United States)

Guo, Lichao; Li, Jiajun; Wang, Huayu; Zhao, Naiqin; Shi, Chunsheng; Ma, Liying; He, Chunnian; He, Fang; Liu, Enzuo

2018-02-01

Graphene modification is one of the most effective routes to enhance the electrochemical properties of the transition-metal sulfide anode for Li-ion batteries and the Li2S cathode for Li-S batteries. Boron, nitrogen, oxygen, phosphorus, and sulfur doping greatly affect the electrochemical properties of Li2S /graphene . Here, we investigate the interfacial binding energy, lithium adsorption energy, interface diffusion barrier, and electronic structure by first-principles calculations to unveil the diverse effects of different dopants during interfacial lithiation reactions. The interfacial lithium storage follows the pseudocapacitylike mechanism with intercalation character. Two different mechanisms are revealed to enhance the interfacial lithium adsorption and diffusion, which are the electron-deficiency host doping and the vacancylike structure evolutions with bond breaking. The synergistic effect between different dopants with diverse doping effects is also proposed. The results give a theoretical basis for the materials design with doped graphene as advanced materials modification for energy storage.

Noble internal transport barriers and radial subdiffusion of toroidal magnetic lines

Energy Technology Data Exchange (ETDEWEB)

Misguich, J.H.; Reuss, J.D. [Association Euratom-CEA sur la Fusion, CEA/DSM/DRFC, 13 - Saint Paul lez Durance (France); Constantinescu, D.; Steinbrecher, G. [Association Euratom-N.A.S.T.I., Dept. of Physics, University of Craiova (Romania); Vlad, M.; Spineanu, F. [Association Euratom-N.A.S.T.I., National Institute of Laser, Plasma and Radiation Physics, Bucharest (Romania); Weyssow, B.; Balescu, R. [Association Euratom-Etat Belge sur la Fusion, Universite Libre de Bruxelles (Belgium)

2002-02-01

Internal transport barriers (ITB's) observed in tokamaks are described by a purely magnetic approach. Magnetic line motion in toroidal geometry with broken magnetic surfaces is studied from a previously derived Hamiltonian map in situation of incomplete chaos. This appears to reproduce in a realistic way the main features of a tokamak, for a given safety factor profile and in terms of a single parameter L representing the amplitude of the magnetic perturbation. New results are given concerning the Shafranov shift as function of L. For small values of L, closed magnetic surfaces exist (KAM tori) and island chains begin to appear on rational surfaces for higher values of L, with chaotic zones around hyperbolic points, as expected. Single trajectories of magnetic line motion indicate the persistence of a central protected plasma core, surrounded by a chaotic shell enclosed in a double-sided transport barrier. Magnetic lines which succeed to escape across this barrier begin to wander in a wide chaotic sea extending up to a very robust barrier (as long as L{<=}1). For values of L{>=}1, above the escape threshold, most magnetic lines succeed to escape out of the external barrier which has become a permeable Cantorus. Statistical analysis of a large number of trajectories, representing the evolution of a bunch of magnetic lines, indicate that the flux variable {psi} asymptotically grows in a diffuse manner as (L{sup 2}t) with a L{sup 2} scaling as expected, but that the average radial position r{sub m}(t) asymptotically grows as (L{sup 2}t){sup 1/4} while the mean square displacement around this average radius asymptotically grows in a sub-diffusive manner as (L{sup 2}t){sup 1/2}. This result shows the slower dispersion in the present incomplete chaotic regime, which is different from the usual quasilinear diffusion in completely chaotic situations. For physical times t{sub {phi}} of the order of the escape time defined by x{sub m}(t{sub {phi}}) {approx}1, the motion

Noble internal transport barriers and radial subdiffusion of toroidal magnetic lines

International Nuclear Information System (INIS)

Misguich, J.H.; Reuss, J.D.; Constantinescu, D.; Steinbrecher, G.; Vlad, M.; Spineanu, F.; Weyssow, B.; Balescu, R.

2002-02-01

Internal transport barriers (ITB's) observed in tokamaks are described by a purely magnetic approach. Magnetic line motion in toroidal geometry with broken magnetic surfaces is studied from a previously derived Hamiltonian map in situation of incomplete chaos. This appears to reproduce in a realistic way the main features of a tokamak, for a given safety factor profile and in terms of a single parameter L representing the amplitude of the magnetic perturbation. New results are given concerning the Shafranov shift as function of L. For small values of L, closed magnetic surfaces exist (KAM tori) and island chains begin to appear on rational surfaces for higher values of L, with chaotic zones around hyperbolic points, as expected. Single trajectories of magnetic line motion indicate the persistence of a central protected plasma core, surrounded by a chaotic shell enclosed in a double-sided transport barrier. Magnetic lines which succeed to escape across this barrier begin to wander in a wide chaotic sea extending up to a very robust barrier (as long as L≤1). For values of L≥1, above the escape threshold, most magnetic lines succeed to escape out of the external barrier which has become a permeable Cantorus. Statistical analysis of a large number of trajectories, representing the evolution of a bunch of magnetic lines, indicate that the flux variable ψ asymptotically grows in a diffuse manner as (L 2 t) with a L 2 scaling as expected, but that the average radial position r m (t) asymptotically grows as (L 2 t) 1/4 while the mean square displacement around this average radius asymptotically grows in a sub-diffusive manner as (L 2 t) 1/2 . This result shows the slower dispersion in the present incomplete chaotic regime, which is different from the usual quasilinear diffusion in completely chaotic situations. For physical times t φ of the order of the escape time defined by x m (t φ ) ∼1, the motion appears to be super-diffusive, however, but less dangerous than

Measurement of diffusive properties of intact rock

Energy Technology Data Exchange (ETDEWEB)

Harvey, K B

1996-12-01

In the Postclosure Assessment of a Reference System for the Disposal of Canada`s Nuclear Fuel Waste (Goodwin et al. 1994) the disposal vault is assumed to be surrounded by a zone of intact rock, referred to as the `exclusion zone.` A sensitivity analysis of the relative effectiveness of the several engineered and natural barriers that contribute to the safety of the reference disposal system has shown that this zone of intact rock is the most effective of these barriers to the movement of radionuclides through the reference system. Peer review of the geosphere model used in the case study for the EIS (Environmental Impact Statement) of the Canadian Nuclear Fuel Waste Management Program has identified the need to quantify the properties of the intact rock surrounding the disposal vault that would control the transport of radionuclides by diffusion. The Postclosure Assessment also identified the need for appropriate values of the free water diffusion coefficient (D{sub o}) for {sup 129}1 and {sup 14}C. The measurement of rock resistivity allows the calculation of the Formation Factor for a rock This review describes the Formation Factor, diffusivity, permeability, and porosity, and how these properties might be measured or inferred for insitu rock under the conditions that apply to the intact rock surrounding a potential disposal vault. The importance of measuring the intrinsic diffusion coefficient (D{sup i}) of diffusing species under solution salinities simulating those of groundwaters is emphasised, and a method of measurement is described that is independent of the diffusing medium, and which would be appropriate for measurements made in chemically complex media such as groundwaters. (author). 95 refs., 4 tabs., 39 figs.

Measurement of diffusive properties of intact rock

International Nuclear Information System (INIS)

Harvey, K.B.

1996-12-01

In the Postclosure Assessment of a Reference System for the Disposal of Canada's Nuclear Fuel Waste (Goodwin et al. 1994) the disposal vault is assumed to be surrounded by a zone of intact rock, referred to as the 'exclusion zone.' A sensitivity analysis of the relative effectiveness of the several engineered and natural barriers that contribute to the safety of the reference disposal system has shown that this zone of intact rock is the most effective of these barriers to the movement of radionuclides through the reference system. Peer review of the geosphere model used in the case study for the EIS (Environmental Impact Statement) of the Canadian Nuclear Fuel Waste Management Program has identified the need to quantify the properties of the intact rock surrounding the disposal vault that would control the transport of radionuclides by diffusion. The Postclosure Assessment also identified the need for appropriate values of the free water diffusion coefficient (D o ) for 129 1 and 14 C. The measurement of rock resistivity allows the calculation of the Formation Factor for a rock This review describes the Formation Factor, diffusivity, permeability, and porosity, and how these properties might be measured or inferred for insitu rock under the conditions that apply to the intact rock surrounding a potential disposal vault. The importance of measuring the intrinsic diffusion coefficient (D i ) of diffusing species under solution salinities simulating those of groundwaters is emphasised, and a method of measurement is described that is independent of the diffusing medium, and which would be appropriate for measurements made in chemically complex media such as groundwaters. (author). 95 refs., 4 tabs., 39 figs

Clays in natural and engineered barriers for radioactive waste confinement

International Nuclear Information System (INIS)

2007-01-01

The meeting covers all topics concerning natural argillaceous geological barriers and the clay material based engineered barrier systems, investigated by means of: laboratory experiments on clay samples (new analytical developments), in situ experiments in underground research laboratories, mock-up demonstrations, natural analogues, as well as numerical modelling and global integration approaches (including up-scaling processes and treatment of uncertainties). The works presented deal with: examples of broad research programs (national or international) on the role of natural and artificial clay barriers for radionuclide confinement; clay-based repository concepts: repository designs, including technological and safety issues related to the use of clay for nuclear waste confinement; geology and clay characterisation: mineralogy, sedimentology, paleo-environment, diagenesis, dating techniques, discontinuities in rock clay, fracturing, self sealing processes, role of organic matter and microbiological processes; geochemistry: pore water geochemistry, clay thermodynamics, chemical retention, geochemical modelling, advanced isotopic geochemistry; mass transfer: water status and hydraulic properties in low permeability media, pore space geometry, water, solute and gas transfer processes, colloid mediated transport, large scale movements, long-term diffusion; alteration processes: oxidation effects, hydration-dehydration processes, response to thermal stress, iron-clay interactions, alkaline perturbation; geomechanics: thermo-hydro-mechanical behaviour of clay, rheological models, EDZ characterisation and evolution, coupled behaviour and models (HM, THM, THMC). A particular interest is given to potential contributions coming from fields of activities other than radioactive waste management, which take advantage of the confinement properties of the clay barrier (oil and gas industries, gas geological storage, CO 2 geological sequestration, chemical waste isolation

Clays in natural and engineered barriers for radioactive waste confinement

Energy Technology Data Exchange (ETDEWEB)

NONE

2007-07-01

The meeting covers all topics concerning natural argillaceous geological barriers and the clay material based engineered barrier systems, investigated by means of: laboratory experiments on clay samples (new analytical developments), in situ experiments in underground research laboratories, mock-up demonstrations, natural analogues, as well as numerical modelling and global integration approaches (including up-scaling processes and treatment of uncertainties). The works presented deal with: examples of broad research programs (national or international) on the role of natural and artificial clay barriers for radionuclide confinement; clay-based repository concepts: repository designs, including technological and safety issues related to the use of clay for nuclear waste confinement; geology and clay characterisation: mineralogy, sedimentology, paleo-environment, diagenesis, dating techniques, discontinuities in rock clay, fracturing, self sealing processes, role of organic matter and microbiological processes; geochemistry: pore water geochemistry, clay thermodynamics, chemical retention, geochemical modelling, advanced isotopic geochemistry; mass transfer: water status and hydraulic properties in low permeability media, pore space geometry, water, solute and gas transfer processes, colloid mediated transport, large scale movements, long-term diffusion; alteration processes: oxidation effects, hydration-dehydration processes, response to thermal stress, iron-clay interactions, alkaline perturbation; geomechanics: thermo-hydro-mechanical behaviour of clay, rheological models, EDZ characterisation and evolution, coupled behaviour and models (HM, THM, THMC). A particular interest is given to potential contributions coming from fields of activities other than radioactive waste management, which take advantage of the confinement properties of the clay barrier (oil and gas industries, gas geological storage, CO{sub 2} geological sequestration, chemical waste isolation

Diffusion and Perfusion Magnetic Resonance Imaging:Fundamentals and Advances

OpenAIRE

Assili, Sanam

2016-01-01

Over the past few decades, magnetic resonance imaging has been utilized as a powerful imaging modality to evaluate the structure and function of various organs in the human body,such as the brain. Additionally, diffusion and perfusion MR imaging have been increasingly used in neurovascular clinical applications. In diffusion-weighted magnetic resonance imaging, the mobility of water molecules is explored in order to obtain information about the microscopic behavior of the tissues. In contrast...

Advanced thermal barrier coatings for operation in high hydrogen content fueled gas turbines.

Energy Technology Data Exchange (ETDEWEB)

Sampath, Sanjay [Stony Brook Univ., NY (United States)

2015-04-02

The Center for Thermal Spray Research (CTSR) at Stony Brook University in partnership with its industrial Consortium for Thermal Spray Technology is investigating science and technology related to advanced metallic alloy bond coats and ceramic thermal barrier coatings for applications in the hot section of gasified coal-based high hydrogen turbine power systems. In conjunction with our OEM partners (GE and Siemens) and through strategic partnership with Oak Ridge National Laboratory (ORNL) (materials degradation group and high temperature materials laboratory), a systems approach, considering all components of the TBC (multilayer ceramic top coat, metallic bond coat & superalloy substrate) is being taken during multi-layered coating design, process development and subsequent environmental testing. Recent advances in process science and advanced in situ thermal spray coating property measurement enabled within CTSR has been incorporated for full-field enhancement of coating and process reliability. The development of bond coat processing during this program explored various aspects of processing and microstructure and linked them to performance. The determination of the bond coat material was carried out during the initial stages of the program. Based on tests conducted both at Stony Brook University as well as those carried out at ORNL it was determined that the NiCoCrAlYHfSi (Amdry) bond coats had considerable benefits over NiCoCrAlY bond coats. Since the studies were also conducted at different cycling frequencies, thereby addressing an associated need for performance under different loading conditions, the Amdry bond coat was selected as the material of choice going forward in the program. With initial investigations focused on the fabrication of HVOF bond coats and the performance of TBC under furnace cycle tests , several processing strategies were developed. Two-layered HVOF bond coats were developed to render optimal balance of density and surface roughness

Patient, carer and professional perspectives on barriers and facilitators to quality care in advanced heart failure.

Directory of Open Access Journals (Sweden)

Susan Browne

Full Text Available Those with advanced heart failure (HF experience high levels of morbidity and mortality, similar to common cancers. However, there remains evidence of inequity of access to palliative care services compared to people with cancer. This study examines patient, carer, and professional perspectives on current management of advanced HF and barriers and facilitators to improved care.Qualitative study involving semi-structured interviews and focus groups with advanced HF patients (n = 30, carers (n = 20, and professionals (n = 65. Data analysed using Normalisation Process Theory (NPT as the underpinning conceptual framework.Uncertainty is ubiquitous in accounts from advanced HF patients and their caregivers. This uncertainty relates to understanding of the implications of their diagnosis, appropriate treatments, and when and how to seek effective help. Health professionals agree this is a major problem but feel they lack knowledge, opportunities, or adequate support to improve the situation. Fragmented care with lack of coordination and poor communication makes life difficult. Poor understanding of the condition extends to the wider circle of carers and means that requests for help may not be perceived as legitimate, and those with advanced HF are not prioritised for social and financial supports. Patient and caregiver accounts of emergency care are uniformly poor. Managing polypharmacy and enduring concomitant side effects is a major burden, and the potential for rationalisation exists. This study has potential limitations because it was undertaken within a single geographical location within the United Kingdom.Little progress is being made to improve care experiences for those with advanced HF. Even in the terminal stages, patients and caregivers are heavily and unnecessarily burdened by health care services that are poorly coordinated and offer fragmented care. There is evidence that these poor experiences could be improved to a large extent by

Evaluation of the barrier capability of Zr-Si films with different substrate temperature for Cu metallization

International Nuclear Information System (INIS)

Wang Ying; Cao Fei; Ding Minghui; Shao Lei

2009-01-01

Barrier capability of Zr-Si diffusion barriers in Cu metallization has been investigated. Amorphous Zr-Si diffusion barriers were deposited on the Si substrates by RF reactive magnetron sputtering under various substrate temperatures. An increase in substrate temperature results in a slightly decreased deposition rate together with an increase in mass density. An increase in substrate temperature also results in grain growth as deduced from field emission scanning electron microscopy (FE-SEM) micrographs. X-ray diffraction (XRD) spectra and Auger electron spectroscopy (AES) depth profiles for Cu/Zr-Si(RT)/Si and Cu/Zr-Si(300 deg. C)/Si samples subjected to anneal at various temperatures show that the thermal stability was strongly correlated with the deposition temperature (consequently different density and chemical composition etc.) of the Zr-Si barrier layers. ZrSi(300 deg. C) with higher mass density make the Cu/Zr-Si(300 deg. C)/Si sample more stable. The appearance of Cu 3 Si in the Cu/Zr-Si/Si sample is attributed to the failure mechanism which may be associated with the diffusion of Cu and Si via the grain boundaries of the Zr-Si barriers.

Structure-property relationships in flavour-barrier membranes with reduced high-temperature diffusivity

International Nuclear Information System (INIS)

Heitfeld, Kevin A.; Schaefer, Dale W.

2009-01-01

Encapsulation is used to decrease the premature release of volatile flavour ingredients while offering protection against environmental damage such as oxidation, light-induced reactions, etc. Hydroxypropyl cellulose (HPC) is investigated here as a 'smart,' temperature responsive membrane for flavour encapsulation and delivery. Gel films were synthesized and characterized by diffusion and small-angle neutron and X-ray scattering techniques. Increasing temperature typically increases the diffusion rate across a membrane; HPC, however, can be tailored to give substantially improved elevated temperature properties. Scattering results indicate processing conditions have a significant impact on membrane morphology (micro phase separation). Under certain synthetic conditions, micro phase separation is mitigated and the membranes show temperature-independent diffusivity between 25 C and 60 C.

Diffusion in liquids a theoretical and experimental study

CERN Document Server

Tyrrell, H J V

1984-01-01

Diffusion in Liquids: A Theoretical and Experimental Study aims to discuss the principles, applications, and advances in the field of diffusion, thermal diffusion, and thermal conduction in liquid systems. The book covers topics such as the principles of non-equilibrium thermodynamics; diffusion in binary and multicompetent systems; and experimental methods of studying diffusion processes in liquids. Also covered in the book are topics such as the theoretical interpretations of diffusion coefficients; hydrodynamic and kinetic theories; and diffusion in electrolyte systems. The text is recommen

Development and Psychometric Properties of a Survey to Assess Barriers to Implementing Advance Care Planning in Primary Care.

Science.gov (United States)

Howard, Michelle; Day, Andrew G; Bernard, Carrie; Tan, Amy; You, John; Klein, Doug; Heyland, Daren K

2018-01-01

Valid and reliable measurement of barriers to advance care planning (ACP) in health care settings can inform the design of robust interventions. This article describes the development and psychometric evaluation of an instrument to measure the presence and magnitude of perceived barriers to ACP discussion with patients from the perspective of family physicians. A questionnaire was designed through literature review and expert input, asking family physicians to rate the importance of barriers (0 = not at all a barrier and 6 = an extreme amount) to ACP discussions with patients and administered to 117 physicians. Floor effects and missing data patterns were examined. Item-by-item correlations were examined using Pearson correlation. Exploratory factor analysis was conducted (iterated principle factor analysis with oblique rotation), internal consistency (Cronbach's alpha) overall and within factors was calculated, and construct validity was evaluated by calculating three correlations with related questions that were specified a priori. The questionnaire included 31 questions in three domains relating to the clinician, patient/family and system or external factors. No items were removed due to missing data, floor effects, or high correlation with another item. A solution of three factors accounted for 71% of variance. One item was removed because it did not load strongly on any factor. All other items except one remained in the original domain in the questionnaire. Cronbach's alpha for the three factors ranged from 0.84 to 0.90. Two of three a priori correlations with related questions were statistically significant. This questionnaire to assess barriers to ACP discussion from the perspective of family physicians demonstrates preliminary evidence of reliability and validity. Copyright © 2017 American Academy of Hospice and Palliative Medicine. Published by Elsevier Inc. All rights reserved.

Transparent, Ultrahigh-Gas-Barrier Films with a Brick-Mortar-Sand Structure.

Science.gov (United States)

Dou, Yibo; Pan, Ting; Xu, Simin; Yan, Hong; Han, Jingbin; Wei, Min; Evans, David G; Duan, Xue

2015-08-10

Transparent and flexible gas-barrier materials have shown broad applications in electronics, food, and pharmaceutical preservation. Herein, we report ultrahigh-gas-barrier films with a brick-mortar-sand structure fabricated by layer-by-layer (LBL) assembly of XAl-layered double hydroxide (LDH, X=Mg, Ni, Zn, Co) nanoplatelets and polyacrylic acid (PAA) followed by CO2 infilling, denoted as (XAl-LDH/PAA)n-CO2. The near-perfectly parallel orientation of the LDH "brick" creates a long diffusion length to hinder the transmission of gas molecules in the PAA "mortar". Most significantly, both the experimental studies and theoretical simulations reveal that the chemically adsorbed CO2 acts like "sand" to fill the free volume at the organic-inorganic interface, which further depresses the diffusion of permeating gas. The strategy presented here provides a new insight into the perception of barrier mechanism, and the (XAl-LDH/PAA)n-CO2 film is among the best gas barrier films ever reported. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bond strength and stress measurements in thermal barrier coatings

Energy Technology Data Exchange (ETDEWEB)

Gell, M.; Jordan, E. [Univ. of Connecticut, Storrs, CT (United States)

1995-10-01

Thermal barrier coatings have been used extensively in aircraft gas turbines for more than 15 years to insulate combustors and turbine vanes from the hot gas stream. Plasma sprayed thermal barrier coatings (TBCs) provide metal temperature reductions as much as 300{degrees}F, with improvements in durability of two times or more being achieved. The introduction of TBCs deposited by electron beam physical vapor deposition (EB-PVD) processes in the last five years has provided a major improvement in durability and also enabled TBCs to be applied to turbine blades for improved engine performance. To meet the aggressive Advanced Turbine Systems goals for efficiency, durability and the environment, it will be necessary to employ thermal barrier coatings on turbine airfoils and other hot section components. For The successful application of TBCs to ATS engines with 2600{degrees}F turbine inlet temperatures and required component lives 10 times greater than those for aircraft gas turbine engines, it is necessary to develop quantitative assessment techniques for TBC coating integrity with time and cycles in ATS engines. Thermal barrier coatings in production today consist of a metallic bond coat, such as an MCrAlY overlay coating or a platinum aluminide (Pt-Al) diffusion coating. During heat treatment, both these coatings form a thin, tightly adherent alumina (Al{sub 2}O{sub 3}) film. Failure of TBC coatings in engine service occurs by spallation of the ceramic coating at or near the bond coat to alumina or the alumina to zirconia bonds. Thus, it is the initial strength of these bonds and the stresses at the bond plane, and their changes with engine exposure, that determines coating durability. The purpose of this program is to provide, for the first time, a quantitative assessment of TBC bond strength and bond plane stresses as a function of engine time and cycles.

Barriers to advance care planning at the end of life: an explanatory systematic review of implementation studies.

Directory of Open Access Journals (Sweden)

Susi Lund

Full Text Available Advance Care Plans (ACPs enable patients to discuss and negotiate their preferences for the future including treatment options at the end of life. Their implementation poses significant challenges.To investigate barriers and facilitators to the implementation of ACPs, focusing on their workability and integration in clinical practice.An explanatory systematic review of qualitative implementation studies.Empirical studies that reported interventions designed to support ACP in healthcare. Web of Knowledge, Ovid MEDLINE, CINAHL, PsycINFO, British Nursing Index and PubMed databases were searched.Direct content analysis, using Normalization Process Theory, to identify and characterise relevant components of implementation processes.13 papers identified from 166 abstracts were included in the review. Key factors facilitating implementation were: specially prepared staff utilizing a structured approach to interactions around ACPs. Barriers to implementation were competing demands of other work, the emotional and interactional nature of patient-professional interactions around ACPs, problems in sharing decisions and preferences within and between healthcare organizations.This review demonstrates that doing more of the things that facilitate delivery of ACPs will not reduce the effects of those things that undermine them. Structured tools are only likely to be partially effective and the creation of a specialist cadre of ACP facilitators is unlikely to be a sustainable solution. The findings underscore both the challenge and need to find ways to routinely incorporate ACPs in clinical settings where multiple and competing demands impact on practice. Interventions most likely to meet with success are those that make elements of Advance Care Planning workable within complex and time pressured clinical workflows.

[Blood-brain barrier part III: therapeutic approaches to cross the blood-brain barrier and target the brain].

Science.gov (United States)

Weiss, N; Miller, F; Cazaubon, S; Couraud, P-O

2010-03-01

Over the last few years, the blood-brain barrier has come to be considered as the main limitation for the treatment of neurological diseases caused by inflammatory, tumor or neurodegenerative disorders. In the blood-brain barrier, the close intercellular contact between cerebral endothelial cells due to tight junctions prevents the passive diffusion of hydrophilic components from the bloodstream into the brain. Several specific transport systems (via transporters expressed on cerebral endothelial cells) are implicated in the delivery of nutriments, ions and vitamins to the brain; other transporters expressed on cerebral endothelial cells extrude endogenous substances or xenobiotics, which have crossed the cerebral endothelium, out of the brain and into the bloodstream. Recently, several strategies have been proposed to target the brain, (i) by by-passing the blood-brain barrier by central drug administration, (ii) by increasing permeability of the blood-brain barrier, (iii) by modulating the expression and/or the activity of efflux transporters, (iv) by using the physiological receptor-dependent blood-brain barrier transport, and (v) by creating new viral or chemical vectors to cross the blood-brain barrier. This review focuses on the illustration of these different approaches. Copyright (c) 2009 Elsevier Masson SAS. All rights reserved.

DIFMIG - A computer program for calculation of diffusive migration through multi-barrier systems

International Nuclear Information System (INIS)

Bo, P.; Carlsen, L.

1981-11-01

The FORTRAN IV program DIFMIG calculates one-dimensionally (i.e. column) the diffusive migration of single substances through arbitrary multibarrier systems. Time dependent changes in concentration other than dispersion/diffusion (e.g. slow dissolution of a compound from a repository, radioactive decay, and/or build up of daughter products), and possible time dependent variations in the effective dispersion into account. The diffusion equation is solved by a finite difference implicite method, the resulting trigonal matrix equation being solved by standard methods. (author)

Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface

International Nuclear Information System (INIS)

Shah, Syed Islamuddin; Nandipati, Giridhar; Rahman, Talat S; Karim, Altaf

2016-01-01

We studied self-diffusion of small two-dimensional Ag islands, containing up to ten atoms, on the Ag(111) surface using self-learning kinetic Monte Carlo (SLKMC) simulations. Activation barriers are calculated using the semi-empirical embedded atom method (EAM) potential. We find that two- to seven-atom islands primarily diffuse via concerted translation processes with small contributions from multi-atom and single-atom processes, while eight- to ten-atom islands diffuse via single-atom processes, especially edge diffusion, corner rounding and kink detachment, along with a minimal contribution from concerted processes. For each island size, we give a detailed description of the important processes, and their activation barriers, responsible for its diffusion. (paper)

Regulation of respiration and the oxygen diffusion barrier in soybean protect symbiotic nitrogen fixation from chilling-induced inhibition and shoots from premature senescence.

Science.gov (United States)

van Heerden, Philippus D R; Kiddle, Guy; Pellny, Till K; Mokwala, Phatlane W; Jordaan, Anine; Strauss, Abram J; de Beer, Misha; Schlüter, Urte; Kunert, Karl J; Foyer, Christine H

2008-09-01

Symbiotic nitrogen fixation is sensitive to dark chilling (7 degrees C-15 degrees C)-induced inhibition in soybean (Glycine max). To characterize the mechanisms that cause the stress-induced loss of nodule function, we examined nodule structure, carbon-nitrogen interactions, and respiration in two soybean genotypes that differ in chilling sensitivity: PAN809 (PAN), which is chilling sensitive, and Highveld Top (HT), which is more chilling resistant. Nodule numbers were unaffected by dark chilling, as was the abundance of the nitrogenase and leghemoglobin proteins. However, dark chilling decreased nodule respiration rates, nitrogenase activities, and NifH and NifK mRNAs and increased nodule starch, sucrose, and glucose in both genotypes. Ureide and fructose contents decreased only in PAN nodules. While the chilling-induced decreases in nodule respiration persisted in PAN even after return to optimal temperatures, respiration started to recover in HT by the end of the chilling period. The area of the intercellular spaces in the nodule cortex and infected zone was greatly decreased in HT after three nights of chilling, an acclimatory response that was absent from PAN. These data show that HT nodules are able to regulate both respiration and the area of the intercellular spaces during chilling and in this way control the oxygen diffusion barrier, which is a key component of the nodule stress response. We conclude that chilling-induced loss of symbiotic nitrogen fixation in PAN is caused by the inhibition of respiration coupled to the failure to regulate the oxygen diffusion barrier effectively. The resultant limitations on nitrogen availability contribute to the greater chilling-induced inhibition of photosynthesis in PAN than in HT.

Nested barriers to low-carbon infrastructure investment

Science.gov (United States)

Granoff, Ilmi; Hogarth, J. Ryan; Miller, Alan

2016-12-01

Low-carbon, 'green' economic growth is necessary to simultaneously improve human welfare and avoid the worst impacts of climate change and environmental degradation. Infrastructure choices underpin both the growth and the carbon intensity of the economy. This Perspective explores the barriers to investing in low-carbon infrastructure and some of the policy levers available to overcome them. The barriers to decarbonizing infrastructure 'nest' within a set of barriers to infrastructure development more generally that cause spending on infrastructure--low-carbon or not--to fall more than 70% short of optimal levels. Developing countries face additional barriers such as currency and political risks that increase the investment gap. Low-carbon alternatives face further barriers, such as commercialization risk and financial and public institutions designed for different investment needs. While the broader barriers to infrastructure investment are discussed in other streams of literature, they are often disregarded in literature on renewable energy diffusion or climate finance, which tends to focus narrowly on the project costs of low- versus high-carbon options. We discuss how to overcome the barriers specific to low-carbon infrastructure within the context of the broader infrastructure gap.

Density functional theory study of the mechanism of Li diffusion in rutile RuO2

International Nuclear Information System (INIS)

Jung, Jongboo; Cho, Maenghyo; Zhou, Min

2014-01-01

First-principle calculations are carried out to study the diffusion of Li ions in rutile structure RuO 2 , a material for positive electrodes in rechargeable Li ion batteries. The calculations focus on migration pathways and energy barriers for diffusion in Li-poor and Li-rich phases using the Nudged Elastic Band Method. Diffusion coefficients estimated based on calculated energy barriers are in good agreement with experimental values reported in the literature. The results confirm the anisotropic nature of diffusion of Li ions in one-dimensional c channels along the [001] crystalline direction of rutile RuO 2 and show that Li diffusion in the Li-poor phase is faster than in the Li-rich phase. The findings of fast Li diffusion and feasible Li insertion at low temperatures in the host rutile RuO 2 suggest this material is a good ionic conductor for Li transport. The finding also suggests possible means for enhancing the performance of RuO 2 -based electrode materials

Reliability enhancement due to in-situ post-oxidation of sputtered MgO barrier in double MgO barrier magnetic tunnel junction

Directory of Open Access Journals (Sweden)

Chikako Yoshida

2017-06-01

Full Text Available We have investigated the effects of in-situ post-oxidation (PO of a sputtered MgO barrier in a double-MgO-barrier magnetic tunnel junction (MTJ and found that the short error rate was significantly reduced, the magnetoresistance (MR ratio was increased approximately 18%, and the endurance lifetime was extend. In addition, we found that the distribution of breakdown number (a measure of endurance exhibits trimodal characteristics, which indicates competition between extrinsic and intrinsic failures. This improvement in reliability might be related to the suppression of Fe and Co diffusion to the MgO barrier, as revealed by electron energy-loss spectroscopy (EELS analysis.

Dependence of Rn adsorption rate and effective half-life time on diffusion barrier type and moving air environment

International Nuclear Information System (INIS)

Arafa, Wafaa; Badran, Heba

2005-01-01

The variation of the adsorbed radon rate during the exposure time using charcoal canister was studied applying moving air environment inside the radon chamber and compared to the static air measurements. The air movement increases the accumulation time leading to more accurate results. Different types of membrane have been tested as diffusion barrier for activated charcoal canisters. The Makrofol and aluminized polycarbonate improve the adsorption/desorption rate more than the polyehylene membrane. The measured effective half-life time showed a remarkable correlation with the previously measured permeability constant for corresponding membranes. Different types of commercially available charcoal were investigated to develop a local version of charcoal canister for radon measurements. Applying static and moving air environments, the break point and radon collection efficiency were determined at different temperatures. Both of the temperature and air movement accelerate the appearance of the break point. Th efficiency of the locally developed charcoal is 87% and 84.5% of that Calgon PCB charcoal used by EPA. (author)

Advanced neutron and X-ray techniques for insights into the microstructure of EB-PVD thermal barrier coatings

Energy Technology Data Exchange (ETDEWEB)

Kulkarni, Anand [State University of New York, Stony Brook, NY 11794 (United States); Goland, Allen [State University of New York, Stony Brook, NY 11794 (United States); Herman, Herbert [State University of New York, Stony Brook, NY 11794 (United States)]. E-mail: hherman@ms.cc.sunysb.edu; Allen, Andrew J. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Dobbins, Tabbetha [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); DeCarlo, Francesco [Argonne National Laboratory, Argonne, IL 60439 (United States); Ilavsky, Jan [Argonne National Laboratory, Argonne, IL 60439 (United States); Long, Gabrielle G. [Argonne National Laboratory, Argonne, IL 60439 (United States); Fang, Stacy [Chromalloy Gas Turbine Corporation, Orangeburg, NY 10962 (United States); Lawton, Paul [Chromalloy Gas Turbine Corporation, Orangeburg, NY 10962 (United States)

2006-06-25

The ongoing quest to increase gas turbine efficiency and performance (increased thrust) provides a driving force for materials development. While improved engine design and usage of novel materials provide solutions for increased engine operating temperatures, and hence fuel efficiency, reliability issues remain. Thermal barrier coatings (TBCs), deposited onto turbine components using the electron-beam physical vapor deposition (EB-PVD) process, exhibit unique pore architectures capable of bridging the technological gap between insulation/life extension and prime reliance. This article explores the potential of advanced X-ray and neutron techniques for comprehension of an EB-PVD TBC coating microstructure. While conventional microscopy reveals a hierarchy of voids, complementary advanced techniques allow quantification of these voids in terms of component porosities, anisotropy, size and gradient through the coating thickness. In addition, the derived microstructural parameters obtained both further knowledge of the nature and architecture of the porosity, and help establish its influence on the resultant thermal and mechanical properties.

Barriers and Facilitators to Career Advancement by Top-Level, Entry-Level and Non-Administrative Women in Public School Districts: A Mixed Methods Study

Science.gov (United States)

Ahmed, Eman Ibrahim El-Desouki

2011-01-01

The purpose of this study was to investigate the barriers and facilitators to career advancement among women administrators occupying top-level positions, those occupying entry-level positions and those in non-administrative positions in both rural and urban public school districts in central Pennsylvania. The need to increase the awareness of the…

Business models for maximising the diffusion of technological innovations for climate-smart agriculture

NARCIS (Netherlands)

Long, Thomas B.; Blok, Vincent; Poldner, Kim

2017-01-01

Technological innovations will play a prominent role in the transition to climate-smart agriculture (CSA). However, CSA technological innovation diffusion is subject to socio-economic barriers. The success of innovations is partly dependent on the business models that are used to diffuse them.

Transaction costs economics as a conceptual framework for the analysis of barriers to the diffusion of telemedicine.

Science.gov (United States)

Pelletier-Fleury, N; Fargeon, V; Lanoé, J L; Fardeau, M

1997-10-01

Telemedecine has been talked about for more than 20 years, without it entering daily use with any success. Based on transaction costs economics, the present analysis of the exchange relationships between health care producers highlights certain characteristics of the current technical and legislative context, which leads to transaction costs. It also demonstrates that the introduction of telemedicine shifts the costs associated with agents' opportunism from patients to health-care producers themselves. All these costs may be considered nowadays to thwart the use of telemedicine. It is argued here that the Public Authorities and professionals of health care could act upon telemedicine in two fields: (1) intervention in the institutional environment aims notably at better defining the property rights of telemedicine, and so constitutes an unavoidable means of encouraging health-care producers to invest in new technology; and (2) implementation of organisational forms and mechanisms susceptible to regulating such telemedical relationships between health care producers-given the present institutional environment-constitutes an essential means for overcoming the immediate barriers blocking the diffusion of telemedicine.

Generalization of Kramer's formula: Fission over a multidimensional potential barrier

International Nuclear Information System (INIS)

Jing-Shang, Z.; Weidenmueller, H.A.

1983-01-01

We generalize Kramers's rate expression for diffusion over a potential barrier to the case of a diffusion problem for n degrees of freedom. These can be thought of as the shape degrees of freedom of a fissioning nucleus. We present our formula for the fission width and discuss its dependence on the parameters: the mass tensor, the friction tensor, and the shape of the potential landscape

Oxygen self-diffusion mechanisms in monoclinic Zr O2 revealed and quantified by density functional theory, random walk analysis, and kinetic Monte Carlo calculations

Science.gov (United States)

Yang, Jing; Youssef, Mostafa; Yildiz, Bilge

2018-01-01

In this work, we quantify oxygen self-diffusion in monoclinic-phase zirconium oxide as a function of temperature and oxygen partial pressure. A migration barrier of each type of oxygen defect was obtained by first-principles calculations. Random walk theory was used to quantify the diffusivities of oxygen interstitials by using the calculated migration barriers. Kinetic Monte Carlo simulations were used to calculate diffusivities of oxygen vacancies by distinguishing the threefold- and fourfold-coordinated lattice oxygen. By combining the equilibrium defect concentrations obtained in our previous work together with the herein calculated diffusivity of each defect species, we present the resulting oxygen self-diffusion coefficients and the corresponding atomistically resolved transport mechanisms. The predicted effective migration barriers and diffusion prefactors are in reasonable agreement with the experimentally reported values. This work provides insights into oxygen diffusion engineering in Zr O2 -related devices and parametrization for continuum transport modeling.

Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

International Nuclear Information System (INIS)

Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki; Matsuzaki, Hiroyuki

2015-01-01

Highlights: • H adsorption on cubic Er 2 O 3 surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er 2 O 3 surface. • The dominated mechanisms of H diffusion in bulk Er 2 O 3 are elucidated. • H diffusion near or at vacancies in Er 2 O 3 is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er 2 O 3 surface, surface-to-subsurface penetration of H into Er 2 O 3 , bulk diffusion of H in Er 2 O 3 , and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10 14 H/cm 2 ), a penetration energy of at least 1.60 eV is required for cubic Er 2 O 3 surfaces. Further, the H diffusion barrier between the planes defined by Er 2 O 3 units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect

Contaminant fluxes through site containment barriers: Performance assessment and illustrative results

International Nuclear Information System (INIS)

Vita, C.L.

1994-01-01

Contaminant mass flux by advective and diffusive transport is predicted for five containment barriers that use one or more clay liners, flexible membrane liners (FMLs), or liquid collection and removal systems (LCRS)s. Barriers are engineered systems intended to contain and isolate site contaminants from the environment. Barriers include liners, caps, and cutoff walls. Barriers may be used in contaminated-site cleanups (including CERCLA and RCRA), RCRA landfills, or other RCRA TSDFs. Concepts are provided for barrier performance assessment, including analysis and optimization, for meeting performance requirements and controlling risk at minimum cost. Concepts and results can help in planning, designing, or evaluating and communicating, the use or effectiveness of proposed or existing barriers for site cleanups or waste containment. 15 refs., 6 figs., 5 tabs

Large size self-assembled quantum rings: quantum size effect and modulation on the surface diffusion.

Science.gov (United States)

Tong, Cunzhu; Yoon, Soon Fatt; Wang, Lijun

2012-09-24

We demonstrate experimentally the submicron size self-assembled (SA) GaAs quantum rings (QRs) by quantum size effect (QSE). An ultrathin In0.1 Ga0.9As layer with different thickness is deposited on the GaAs to modulate the surface nucleus diffusion barrier, and then the SA QRs are grown. It is found that the density of QRs is affected significantly by the thickness of inserted In0.1 Ga0.9As, and the diffusion barrier modulation reflects mainly on the first five monolayer . The physical mechanism behind is discussed. The further analysis shows that about 160 meV decrease in diffusion barrier can be achieved, which allows the SA QRs with density of as low as one QR per 6 μm2. Finally, the QRs with diameters of 438 nm and outer diameters of 736 nm are fabricated using QSE.

On the kinetic barriers of graphene homo-epitaxy

International Nuclear Information System (INIS)

Zhang, Wei; Yu, Xinke; Xie, Ya-Hong; Cahyadi, Erica; Ratsch, Christian

2014-01-01

The diffusion processes and kinetic barriers of individual carbon adatoms and clusters on graphene surfaces are investigated to provide fundamental understanding of the physics governing epitaxial growth of multilayer graphene. It is found that individual carbon adatoms form bonds with the underlying graphene whereas the interaction between graphene and carbon clusters, consisting of 6 atoms or more, is very weak being van der Waals in nature. Therefore, small carbon clusters are quite mobile on the graphene surfaces and the diffusion barrier is negligibly small (∼6 meV). This suggests the feasibility of high-quality graphene epitaxial growth at very low growth temperatures with small carbon clusters (e.g., hexagons) as carbon source. We propose that the growth mode is totally different from 3-dimensional bulk materials with the surface mobility of carbon hexagons being the highest over graphene surfaces that gradually decreases with further increase in cluster size

Spin transfer torque with spin diffusion in magnetic tunnel junctions

KAUST Repository

Manchon, Aurelien

2012-08-09

Spin transport in magnetic tunnel junctions in the presence of spin diffusion is considered theoretically. Combining ballistic tunneling across the barrier and diffusive transport in the electrodes, we solve the spin dynamics equation in the metallic layers. We show that spin diffusion mixes the transverse spin current components and dramatically modifies the bias dependence of the effective spin transfer torque. This leads to a significant linear bias dependence of the out-of-plane torque, as well as a nonconventional thickness dependence of both spin torque components.

Gas Diffusion Barriers Prepared by Spatial Atmospheric Pressure Plasma Enhanced ALD.

Science.gov (United States)

Hoffmann, Lukas; Theirich, Detlef; Pack, Sven; Kocak, Firat; Schlamm, Daniel; Hasselmann, Tim; Fahl, Henry; Räupke, André; Gargouri, Hassan; Riedl, Thomas

2017-02-01

In this work, we report on aluminum oxide (Al 2 O 3 ) gas permeation barriers prepared by spatial ALD (SALD) at atmospheric pressure. We compare the growth characteristics and layer properties using trimethylaluminum (TMA) in combination with an Ar/O 2 remote atmospheric pressure plasma for different substrate velocities and different temperatures. The resulting Al 2 O 3 films show ultralow water vapor transmission rates (WVTR) on the order of 10 -6 gm -2 d -1 . In notable contrast, plasma based layers already show good barrier properties at low deposition temperatures (75 °C), while water based processes require a growth temperature above 100 °C to achieve equally low WVTRs. The activation energy for the water permeation mechanism was determined to be 62 kJ/mol.

The crossover from collective motion to periphery diffusion for two-dimensional adatom-islands on Cu(111)

International Nuclear Information System (INIS)

Karim, Altaf; Kara, Abdelkader; Rahman, Talat S; Trushin, Oleg

2011-01-01

The diffusion of two-dimensional adatom-islands (up to 100 atoms) on Cu(111) has been studied, using the self-learning kinetic Monte Carlo method (Trushin et al 2005 Phys. Rev. B 72 115401). A variety of multiple- and single-atom processes are revealed in the simulations, and the size dependences of the diffusion coefficients and effective diffusion barriers are calculated for each. From the tabulated frequencies of events found in the simulation, we show a crossover from diffusion due to the collective motion of the island to a regime in which the island diffuses through periphery-dominated mass transport. This crossover occurs for island sizes between 13 and 19 atoms. For islands containing 19-100 atoms the scaling exponent is 1.5, which is in good agreement with previous work. The diffusion of islands containing 2-13 atoms can be explained primarily on the basis of a linear increase of the barrier for the collective motion with the size of the island. (fast track communication)

Barrier mechanism of multilayers graphene coated copper against atomic oxygen irradiation

Science.gov (United States)

Zhang, Haijing; Ren, Siming; Pu, Jibin; Xue, Qunji

2018-06-01

Graphene has been demonstrated as a protective coating for Cu under ambient condition because of its high impermeability and light-weight oxidation barrier. However, it lacks the research of graphene as a protective coating in space environment. Here, we experimentally and theoretically study the oxidation behavior of graphene-coated Cu in vacuum atomic oxygen (AO) condition. After AO irradiation, the experimental results show multilayer graphene has better anti-oxidation than monolayer graphene. Meanwhile, the calculation results show the oxidation appeared on the graphene's grain boundaries or the film's vacancy defects for the monolayer graphene coated Cu foil. Moreover, the calculation results show the oxidation process proceeds slowly in multilayers because of the matched defects overlaps each other to form a steric hindrance to suppress the O atom diffusion in the vertical direction, and the mismatched defects generates potential energy barriers for interlayer to suppress the O atom diffusion in the horizontal direction. Hence, multilayer graphene films could serve as protection coatings to prevent diffusion of O atom.

Barriers to and Facilitators of South Asian Indian-Americans' Engagement in Advanced Care Planning Behaviors.

Science.gov (United States)

Radhakrishnan, Kavita; Saxena, Shubhada; Jillapalli, Regina; Jang, Yuri; Kim, Miyong

2017-05-01

To identify barriers to and facilitators of older South Asian Indian-Americans' (SAIAs') engagement in behaviors associated with advance care planning (ACP). Using a descriptive qualitative design guided by the transcultural nursing assessment model, data were collected in focus groups of community-dwelling older SAIA participants, SAIA family caregivers, and SAIA physicians. A directed approach using predetermined coding categories derived from the Transcultural Nursing Assessment model and aided by NVivo 10 software (Melbourne, Australia) facilitated the qualitative data analysis. Eleven focus groups with 36 older SAIAs (61% female, 83% 70+ years old), 10 SAIA family caregivers, and 4 SAIA physicians indicated prior lack of awareness of ACP, good health status, lack of access to linguistically and health literacy-tailored materials, healthcare provider hesitation to initiate discussions on ACP, trust in healthcare providers' or oldest sons' decision making, busy family caregiver work routines, and cultural assumptions about filial piety and after-death rituals as major barriers to engaging in ACP. Introducing ACP using personal anecdotes in a neutral, group-based community setting and incentivizing ACP discussions by including long-term care planning were suggested as facilitators to engage in ACP. The study's findings will guide development of culturally sensitive interventions to raise awareness about ACP among SAIAs and encourage SAIA older adults to engage in ACP. © 2017 Sigma Theta Tau International.

Barriers to and Facilitators of South Asian Indian-Americans’ Engagement in Advanced Care Planning Behaviors

Science.gov (United States)

Radhakrishnan, Kavita; Saxena, Shubhada; Jillapalli, Regina; Jang, Yuri; Kim, Miyong

2018-01-01

Purpose To identify barriers to and facilitators of older South Asian Indian-Americans’ (SAIAs’) engagement in behaviors associated with advance care planning (ACP). Methods Using a descriptive qualitative design guided by the transcultural nursing assessment model, data were collected in focus groups of community-dwelling older SAIA participants, SAIA family caregivers, and SAIA physicians. A directed approach using predetermined coding categories derived from the Transcultural Nursing Assessment model and aided by NVivo 10 software (Melbourne, Australia) facilitated the qualitative data analysis. Results Eleven focus groups with 36 older SAIAs (61% female, 83% 70+ years old), 10 SAIA family caregivers, and 4 SAIA physicians indicated prior lack of awareness of ACP, good health status, lack of access to linguistically and health literacy–tailored materials, healthcare provider hesitation to initiate discussions on ACP, trust in healthcare providers’ or oldest sons’ decision making, busy family caregiver work routines, and cultural assumptions about filial piety and after-death rituals as major barriers to engaging in ACP. Introducing ACP using personal anecdotes in a neutral, group-based community setting and incentivizing ACP discussions by including long-term care planning were suggested as facilitators to engage in ACP. Clinical Relevance The study’s findings will guide development of culturally sensitive interventions to raise awareness about ACP among SAIAs and encourage SAIA older adults to engage in ACP. PMID:28388828

Theoretical model estimation of guest diffusion in Metal-Organic Frameworks (MOFs)

KAUST Repository

Zheng, Bin

2015-08-11

Characterizing molecule diffusion in nanoporous matrices is critical to understanding the novel chemical and physical properties of metal-organic frameworks (MOFs). In this paper, we developed a theoretical model to fastly and accurately compute the diffusion rate of guest molecules in a zeolitic imidazolate framework-8 (ZIF-8). The ideal gas or equilibrium solution diffusion model was modified to contain the effect of periodical media via introducing the possibility of guests passing through the framework gate. The only input in our model is the energy barrier of guests passing through the MOF’s gate. Molecular dynamics (MD) methods were employed to gather the guest density profile, which then was used to deduce the energy barrier values. This produced reliable results that require a simulation time of 5 picoseconds, which is much shorter when using pure MD methods (in the billisecond scale) . Also, we used density functional theory (DFT) methods to obtain the energy profile of guests passing through gates, as this does not require specification of a force field for the MOF degrees of freedom. In the DFT calculation, we only considered one gate of MOFs each time; as this greatly reduced the computational cost. Based on the obtained energy barrier values we computed the diffusion rate of alkane and alcohol in ZIF-8 using our model, which was in good agreement with experimental test results and the calculation values from standard MD model. Our model shows the advantage of obtaining accurate diffusion rates for guests in MOFs for a lower computational cost and shorter calculation time. Thus, our analytic model calculation is especially attractive for high-throughput computational screening of the dynamic performance of guests in a framework.

Business models for maximising the diffusion of technological innovations for climate-smart agriculture

NARCIS (Netherlands)

Long, T.B.; Blok, V.; Poldner, Kim

2017-01-01

r, CSA technological innovation diffusion is subject to socio-economic barriers. The success of innovations is partly dependent on the business models that are used to diffuse them. Within the context of innovations for CSA, the role that innovation providers’ business models play in the successful

Telomere length and advanced diffusion MRI as biomarkers for repetitive mild traumatic brain injury in adolescent rats

Directory of Open Access Journals (Sweden)

David K. Wright

Full Text Available Mild traumatic brain injuries (mTBI are of worldwide concern in adolescents of both sexes, and repeated mTBI (RmTBI may have serious long-term neurological consequences. As such, the study of RmTBI and discovery of objective biomarkers that can help guide medical decisions is an important undertaking. Diffusion-weighted MRI (DWI, which provides markers of axonal injury, and telomere length (TL are two clinically relevant biomarkers that have been implicated in a number of neurological conditions, and may also be affected by RmTBI. Therefore, this study utilized the lateral impact injury model of RmTBI to investigate changes in diffusion MRI and TL, and how these changes relate to each other. Adolescent male and female rats received either three mTBIs or three sham injuries. The first injury was given on postnatal day 30 (P30, with the repeated injuries separated by four days each. Seven days after the final injury, a sample of ear tissue was collected for TL analysis. Rats were then euthanized and whole brains were collected and fixated for MRI analyses that included diffusion and high-resolution structural sequences. Compared to the sham-injured group, RmTBI rats had significantly shorter TL at seven days post-injury. Analysis of advanced DWI measures found that RmTBI rats had abnormalities in the corpus callosum and cortex at seven days post-injury. Notably, many of the DWI changes were correlated with TL. These findings demonstrate that TL and DWI measurements are changed by RmTBI and may represent clinically applicable biomarkers for this. Keywords: Biomarker, Concussion, Track weighted imaging, Animal model, Diffusion tensor imaging, MRI

ECRH [electron-cyclotron resonance heating]-heated distributions in thermal-barrier tandem mirrors

International Nuclear Information System (INIS)

Cohen, R.H.; LoDestro, L.L.

1987-01-01

The distribution function is calculated for electrons subjected to strong electron-cyclotron resonance heating (ECRH) at the plug and barrier in a tandem-mirror thermal-barrier cell. When ECRH diffusion locally dominates over collisions and a boundary condition (associated with electrons passing to the center cell) imposes variations on the distribution function rapid compared to the variation of the ECRH and collisional diffusion coefficients, the kinetic equation can be reduced approximately to Laplace's equation. For the typical case where velocity space is divided into distinct regions in which plug and barrier ECRH dominate, the solution in each region can be expressed in terms of the plasma dispersion function or exponential integrals, according to whether the passing electrons are dominated by collisions or ECRH, respectively. The analytic results agree well with Fokker-Planck code results, in terms of both velocity-space structure and values of moments. 10 refs., 4 figs

Collective phenomena in volume and surface barrier discharges

Science.gov (United States)

Kogelschatz, U.

2010-11-01

Barrier discharges are increasingly used as a cost-effective configuration to produce non-equilibrium plasmas at atmospheric pressure. This way, copious amounts of electrons, ions, free radicals and excited species can be generated without significant heating of the background gas. In most applications the barrier is made of dielectric material. Major applications utilizing mainly dielectric barriers include ozone generation, surface cleaning and modification, polymer and textile treatment, sterilization, pollution control, CO2 lasers, excimer lamps, plasma display panels (flat TV screens). More recent research efforts are devoted to biomedical applications and to plasma actuators for flow control. Sinusoidal feeding voltages at various frequencies as well as pulsed excitation schemes are used. Volume as well as surface barrier discharges can exist in the form of filamentary, regularly patterned or diffuse, laterally homogeneous discharges. The physical effects leading to collective phenomena in volume and surface barrier discharges are discussed in detail. Special attention is paid to self-organization of current filaments and pattern formation. Major similarities of the two types of barrier discharges are elaborated.

Barrier mechanisms in the Drosophila blood-brain barrier.

Science.gov (United States)

Hindle, Samantha J; Bainton, Roland J

2014-01-01

The invertebrate blood-brain barrier (BBB) field is growing at a rapid pace and, in recent years, studies have shown a physiologic and molecular complexity that has begun to rival its vertebrate counterpart. Novel mechanisms of paracellular barrier maintenance through G-protein coupled receptor signaling were the first demonstrations of the complex adaptive mechanisms of barrier physiology. Building upon this work, the integrity of the invertebrate BBB has recently been shown to require coordinated function of all layers of the compound barrier structure, analogous to signaling between the layers of the vertebrate neurovascular unit. These findings strengthen the notion that many BBB mechanisms are conserved between vertebrates and invertebrates, and suggest that novel findings in invertebrate model organisms will have a significant impact on the understanding of vertebrate BBB functions. In this vein, important roles in coordinating localized and systemic signaling to dictate organism development and growth are beginning to show how the BBB can govern whole animal physiologies. This includes novel functions of BBB gap junctions in orchestrating synchronized neuroblast proliferation, and of BBB secreted antagonists of insulin receptor signaling. These advancements and others are pushing the field forward in exciting new directions. In this review, we provide a synopsis of invertebrate BBB anatomy and physiology, with a focus on insights from the past 5 years, and highlight important areas for future study.

Extracellular matrix glycoproteins and diffusion barriers in human astrocytic tumours

Czech Academy of Sciences Publication Activity Database

Zámečník, J.; Vargová, L.; Homola, A.; Kodet, R.; Syková, Eva

2004-01-01

Roč. 30, - (2004), s. 338-350 ISSN 0305-1846 R&D Projects: GA ČR GA309/00/1430 Institutional research plan: CEZ:AV0Z5039906; CEZ:MSM 111300004; CEZ:MZ00064203 Keywords : glioma * diffusion Subject RIV: FH - Neurology Impact factor: 3.402, year: 2004

Space water electrolysis: Space Station through advance missions

Science.gov (United States)

Davenport, Ronald J.; Schubert, Franz H.; Grigger, David J.

1991-01-01

Static Feed Electrolyzer (SFE) technology can satisfy the need for oxygen (O2) and Hydrogen (H2) in the Space Station Freedom and future advanced missions. The efficiency with which the SFE technology can be used to generate O2 and H2 is one of its major advantages. In fact, the SFE is baselined for the Oxygen Generation Assembly within the Space Station Freedom's Environmental Control and Life Support System (ECLSS). In the conventional SFE process an alkaline electrolyte is contained within the matrix and is sandwiched between two porous electrodes. The electrodes and matrix make up a unitized cell core. The electrolyte provides the necessary path for the transport of water and ions between the electrodes, and forms a barrier to the diffusion of O2 and H2. A hydrophobic, microporous membrane permits water vapor to diffuse from the feed water to the cell core. This membrane separates the liquid feed water from the product H2, and, therefore, avoids direct contact of the electrodes by the feed water. The feed water is also circulated through an external heat exchanger to control the temperature of the cell.

Understanding the anisotropic strain effects on lithium diffusion in graphite anodes: A first-principles study

Science.gov (United States)

Ji, Xiang; Wang, Yang; Zhang, Junqian

2018-06-01

The lithium diffusion in graphite anode, which is the most widely used commercial electrode material today, affects the charge/discharge performance of lithium-ion batteries. In this study, the anisotropic strain effects on lithium diffusion in graphite anodes are systematically investigated using first-principles calculations based on density functional theory (DFT) with van der Waals corrections. It is found that the effects of external applied strains along various directions of LixC6 (i.e., perpendicular or parallel to the basal planes of the graphite host) on lithium diffusivity are different. Along the direction perpendicular to the graphite planes, the tensile strain facilitates in-plane Li diffusion by reducing the energy barrier, and the compressive strain hinders in-plane Li diffusion by raising the energy barrier. In contrast, the in-plane biaxial tensile strain (parallel to the graphite planes) hinders in-plane Li diffusion, and the in-plane biaxial compressive strain facilitates in-plane Li diffusion. Furthermore, both in-plane and transverse shear strains slightly influence Li diffusion in graphite anodes. A discussion is presented to explain the anisotropic strain dependence of lithium diffusion. This research provides data for the continuum modelling of the electrodes in the lithium-ion batteries.

Hybridization of natural systems with advanced treatment processes for organic micropollutant removals: New concepts in multi-barrier treatment

KAUST Repository

Sudhakaran, Sairam

2013-07-01

In the past, emphasis has been on individual treatment processes comprising conventional treatment (coagulation, sedimentation, and filtration) followed by advanced treatment processes (adsorption, ion-exchange, oxidation, and membrane separation). With the depletion of water resources and high demand for power and chemical usage, efforts need to be made to judiciously use advanced treatment processes. There is a new interest in multiple barriers with synergies in which two coupled processes can function as a hybrid process. Within the context of this paper, the hybrid processes include a natural treatment process coupled with an advanced process. Pilot/full-scale studies have shown efficient removal of OMPs by these hybrid processes. With this hybridization, the usage of resources such as power and chemicals can be reduced. In this study, coupling/hybridization of aquifer recharge and recovery (ARR) with oxidation (O3), advanced oxidation process which involves ^{OH radicals (AOP), nanofiltration (NF), reverse osmosis (RO) and granular activated carbon (GAC) adsorption for OMP removal was studied. O3 or AOP as a pre-treatment and GAC, NF, RO, or UV/chlorination as a post-treatment to ARR was studied. NF can be replaced by RO for removal of OMPs since studies have shown similar performance of NF to RO for removal of many OMPs, thereby reducing costs and providing a more sustainable approach. © 2013 Elsevier Ltd.}

The mean first passage time in an energy-diffusion controlled regime with power-law distributions

International Nuclear Information System (INIS)

Zhou, Yanjun; Du, Jiulin

2013-01-01

Based on the mean first passage time (MFPT) theory, we derive an expression of the MFPT in an energy-diffusion controlled regime with a power-law distribution. We discuss the finite barrier effect (i.e. the thermal energy k B T is not small with respect to the potential barrier E b ) and compare it with Kramers’ infinite barrier result both in a power-law distribution and in a Maxwell–Boltzmann distribution. It is shown that the MFPT with a power-law distribution extends Kramers’ low-damping result to a relatively low barrier. We pay attention to the energy-diffusion controlled regime, which is of great interest in the context of Josephson junctions, and study how the power-law parameter κ affects the current distribution function in experiments with Josephson junctions. (paper)

Surface diffusion studies by optical diffraction techniques

International Nuclear Information System (INIS)

Xiao, X.D.

1992-11-01

The newly developed optical techniques have been combined with either second harmonic (SH) diffraction or linear diffraction off a monolayer adsorbate grating for surface diffusion measurement. Anisotropy of surface diffusion of CO on Ni(l10) was used as a demonstration for the second harmonic dim reaction method. The linear diffraction method, which possesses a much higher sensitivity than the SH diffraction method, was employed to study the effect of adsorbate-adsorbate interaction on CO diffusion on Ni(l10) surface. Results showed that only the short range direct CO-CO orbital overlapping interaction influences CO diffusion but not the long range dipole-dipole and CO-NI-CO interactions. Effects of impurities and defects on surface diffusion were further explored by using linear diffraction method on CO/Ni(110) system. It was found that a few percent S impurity can alter the CO diffusion barrier height to a much higher value through changing the Ni(110) surface. The point defects of Ni(l10) surface seem to speed up CO diffusion significantly. A mechanism with long jumps over multiple lattice distance initiated by CO filled vacancy is proposed to explain the observed defect effect

Experimental methodology to study radionuclide sorption and migration in geological formations and engineered barriers of waste repositories

International Nuclear Information System (INIS)

Rojo Sanz, H.

2010-01-01

In Spain, the waste management options include either the possibility of a final storage in a deep geological repository (DGR) or the centralized temporal surface disposal (CTS). DGRs are based in a multi-barrier concept with the geological barrier and including the vitrified waste, the metal containers and engineered barriers such as compacted bentonite and cement-based materials. On the other hand, CTS mainly considers concrete and cement to confine the metal canisters containing the waste. Radionuclide migration will mainly take place by the existence of chemical concentration gradients being thus diffusion the main transport mechanism or by the existence of hydraulic gradients due to the existence of water-conductive fractures. Radionuclide sorption/retention on the materials composing the natural and engineered barriers is the fundamental process controlling contaminant migration. The evaluation of sorption parameters and the understanding of the different mechanisms leading to radionuclide retention are very important issues. The study of diffusion processes is very relevant as well. This paper describes the main experimental methodologies applied to analyse radionuclide transport in the different barriers of radioactive repositories. Particularly we focused on obtaining of retention parameters as distribution coefficients, kd, or retardation factors, Rf, and diffusion coefficients of radionuclides. (Author) 6 refs.

The off-center effect on the diffusion coefficient of Cu+ and Li+ in the KCl lattice

International Nuclear Information System (INIS)

Despa, F.

1994-07-01

It is well known that the diffusion coefficients of the Cu + cation in the NaCl and KCl lattices exceeds by three or four orders of magnitude the corresponding self-diffusion coefficients in the intrinsic temperature regions. This fast diffusion of the Cu + has been explained in many papers as an interstitial diffusion although the optical spectra do not confirm the existence of interstitial Cu + . In this paper we propose a new mechanism for fast diffusion. The model assumes that the equilibrium positions of the cationic impurities are noncentral and that the diffusion proceeds by hopping across the potential barrier along the nonlinear paths with the highest probability. The main result shows that the off-center position enhances considerably the diffusion. Theoretical diffusion coefficients have been obtained by modelling the potential barrier. Changes of the configuration entropy and the vibration spectra due to the presence of the noncentral impurity have been included in the model. We proceeded in the Li + cation case as in the case of Cu + cation. We emphasize the good agreement of the model with the experimental data and we show that if the impurity is placed close to the central site the due diffusion coefficient is close to that for the cationic self-diffusion. (author). 37 refs, 6 figs, 3 tabs

First-principles investigation of adsorption and diffusion of Li on doped silicenes: Prospective materials for lithium-ion batteries

Energy Technology Data Exchange (ETDEWEB)

Momeni, Mohammad Jafar; Mousavi-Khoshdel, Morteza, E-mail: mmousavi@iust.ac.ir; Targholi, Ehsan

2017-05-01

In this report, we investigate the adsorption energies and diffusion characteristics of Li atom on doped silicenes using first principles density functional theory (DFT) calculations. Our results show that the Li adsorption energy on doped silicenes is larger than pristine silicene. Based on our calculations, Al- and B-doped silicenes, due to creating an electron-deficient center in silicene, show a stronger interaction with Li atom compared to P- and N-doped silicenes. The obtained data for surface and perpendicular diffusion of Li atom show the easier mobility of Li on some doped silicenes compared to pristine silicene. According to our results, doping silicene with nitrogen and phosphorus atoms facilitates the Li surface mobility (diffusion barrier of 0.05 and 0.11 eV, respectively versus 0.18 eV for pure silicene) while, doping with aluminum, speed Li perpendicular diffusion (1.47 eV versus 1.67 eV for pristine silicene). The adsorption energy and diffusion barrier values, show the advantage of doped silicenes for use in LIBs with respect to pure silicene. - Highlights: • Calculation of adsorption energy of lithium on pristine and doped silicenes. • Surface and perpendicular diffusion barrier of Li on doped silicenes. • Examination of electronic structure of Li adsorbed doped silicenes.

First-principles investigation of adsorption and diffusion of Li on doped silicenes: Prospective materials for lithium-ion batteries

International Nuclear Information System (INIS)

Momeni, Mohammad Jafar; Mousavi-Khoshdel, Morteza; Targholi, Ehsan

2017-01-01

In this report, we investigate the adsorption energies and diffusion characteristics of Li atom on doped silicenes using first principles density functional theory (DFT) calculations. Our results show that the Li adsorption energy on doped silicenes is larger than pristine silicene. Based on our calculations, Al- and B-doped silicenes, due to creating an electron-deficient center in silicene, show a stronger interaction with Li atom compared to P- and N-doped silicenes. The obtained data for surface and perpendicular diffusion of Li atom show the easier mobility of Li on some doped silicenes compared to pristine silicene. According to our results, doping silicene with nitrogen and phosphorus atoms facilitates the Li surface mobility (diffusion barrier of 0.05 and 0.11 eV, respectively versus 0.18 eV for pure silicene) while, doping with aluminum, speed Li perpendicular diffusion (1.47 eV versus 1.67 eV for pristine silicene). The adsorption energy and diffusion barrier values, show the advantage of doped silicenes for use in LIBs with respect to pure silicene. - Highlights: • Calculation of adsorption energy of lithium on pristine and doped silicenes. • Surface and perpendicular diffusion barrier of Li on doped silicenes. • Examination of electronic structure of Li adsorbed doped silicenes.

Women as radiologists: are there barriers to entry and advancement?

Science.gov (United States)

Baker, Stephen R; Barry, Maureen; Chaudhry, Hamaira; Hubbi, Basil

2006-02-01

proportion to the overall number of women in the organization. However, women continue to be underrepresented in radiology chair positions. Explanations must be sought for the relative unattractiveness of radiology to prospective women residents and barriers to the advancement of women in academic radiology.

First-Principles Calculation of Lithium Adsorption and Diffusion on Silicene

International Nuclear Information System (INIS)

Huang Juan; Chen Hong-Jin; Wu Mu-Sheng; Liu Gang; Ouyang Chu-Ying; Xu Bo

2013-01-01

The adsorption and diffusion of lithium on silicene are studied by using the first-principles method. It is found that the adsorption energy of Li adsorbing on silicene is significantly larger than that of Li adsorbing on graphene. With the increasing concentration of adsorbed Li atoms, the adsorption energy also increases. The diffusion barrier of Li on silicene is relatively low, which is insensitive to the concentration of adsorbed atoms

Basic principles of diffusion-weighted imaging

International Nuclear Information System (INIS)

Bammer, Roland.

2003-01-01

In diffusion-weighted MRI (DWI), image contrast is determined by the random microscopic motion of water protons. During the last years, DWI has become an important modality in the diagnostic work-up of acute ischemia in the CNS. There are also a few promising reports about the application of DWI to other regions in the human body, such as the vertebral column or the abdomen. This manuscript provides an introduction into the basics of DWI and Diffusion Tensor imaging. The potential of various MR sequences in concert with diffusion preparation are discussed with respect to acquisition speed, spatial resolution, and sensitivity to bulk physiologic motion. More advanced diffusion measurement techniques, such as high angular resolution diffusion imaging, are also addressed

Diffusion of renewable energy technologies - barriers and stakeholders' perspectives

DEFF Research Database (Denmark)

Reddy, S.; Painuly, Jyoti P.

2004-01-01

State, India, as a case study, the paper develops a systematic classification of barriers to the adoption of RETs (economic, technological, market and institutional) and ranking them based on the perceptions of various stakeholders. The results provide evidence of how the consumers receive RET...... information and make decisions using their limited analytical capabilities. The analysis is used to enhance the knowledge by introducing ideas based on behavioural theory. Not only do these ideas help understanding the consumer perspective, they also help develop policy interventions. The aim is to define...

Diffusion and growth of aluminum adatoms on magnesium clusters with hexahedral structure

International Nuclear Information System (INIS)

Dai, Xiongying; Hu, Wangyu; Yang, Jianyu; Chen, Chuanpin

2015-01-01

The surface diffusion and growth of Al atoms on Mg clusters with hexahedral structure was investigated using molecular dynamics simulations. The diffusion pathways and the corresponding energy barriers were determined via the nudged elastic band method. Two diffusion paths from a (0001) facet to a neighboring (11 ¯ 01) facet and between two adjacent (11 ¯ 01) facets were considered. The energy barriers on the (11 ¯ 01) facets and between the two (11 ¯ 01) facets were remarkably increased. As such, the adatom's mobility became limited at low temperatures. The growth of small Al–Mg nanoclusters was modeled via the one-by-one atom deposition technique to form an anomalous core–shell structure. The Mg atoms with lower surface energy and larger atomic radius occupied the core and the Al atoms with higher surface energy and smaller atomic radius occupied the shell

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene.

Science.gov (United States)

Iyikanat, Fadil; Kandemir, Ali; Bacaksiz, Cihan; Sahin, Hasan

2017-01-01

Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111) surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

[Clinicopathological study of diffuse carcinoma of stomach (author's transl)].

Science.gov (United States)

Shimoda, T

1978-11-01

The biological behavior of ulcer type gastric carcinoma was studied on 114 cases of diffuse carcinoma (Borrmann's 4 type) and 262 cases of early like advanced carcinoma (including superficial spreading type). In both types of gastric carcinoma, the age distribution, location, ulcer with cancer focus and prognosis differed greatly. The early like carcinoma was speculated to have advanced maintaining the groos findings of early gastric carcinoma, and its location and associated ulcer were the same as the early ulcer type of carcinoma. The prognosis of this type of carcinoma was good, showing a figure of 70% in 3 year survival rate. On the other hand, diffuse carcinoma demonstrated diffuse extensive infiltration of tumor cells along the gastric wall, resulting in poor prognosis with a 3 year survival rate of almost 0%. Histologically, diffuse type of carcinoma showed lymphatic infiltration of tumor cells, and this is probably the main reason for the diffuse infiltration in this type of carcinoma. Diffuse carcinoma is, therefore, considered to be one special type of carcinoma having different biological behavior compared with the other ulcer type of carcinoma, and diffuse carcinoma is not the terminal stage of early like advanced carcinoma. There are three stages in diffuse carcinoma: 1. Infiltrative stage: wide spread infiltration of cancer cells through lymphatic channels (lymphangiosis carcinomatosa) 2. Edematous stage: soluble collagen appearing in gastric wall 3. Sclerosing stage: soluble collagen changing into insoluble collagen leading to marked thickening and stiffness of the gastric wall. This is the end stage of gastric diffuse carcinoma. It is difficult to explain that the marked fibrosis of gastric wall is a result to stromal reaction from tumor cell infiltration, since extensive fibrosis is found in areas without tumor cells and stiffness of the gastric wall occurs in a too short period of time. The production of abundunt soluble collagen is probably

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation

Energy Technology Data Exchange (ETDEWEB)

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng, E-mail: hbchew@illinois.edu [Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C–C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C–C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C–C bonding over C–Cu bonding, which results in C–C dimer pair formation near the surface. The dramatically different C–C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

Communication: Surface-to-bulk diffusion of isolated versus interacting C atoms in Ni(111) and Cu(111) substrates: A first principle investigation.

Science.gov (United States)

Harpale, Abhilash; Panesi, Marco; Chew, Huck Beng

2015-02-14

Using first principle calculations, we study the surface-to-bulk diffusion of C atoms in Ni(111) and Cu(111) substrates, and compare the barrier energies associated with the diffusion of an isolated C atom versus multiple interacting C atoms. We find that the preferential Ni-C bonding over C-C bonding induces a repulsive interaction between C atoms located at diagonal octahedral voids in Ni substrates. This C-C interaction accelerates C atom diffusion in Ni with a reduced barrier energy of ∼1 eV, compared to ∼1.4-1.6 eV for the diffusion of isolated C atoms. The diffusion barrier energy of isolated C atoms in Cu is lower than in Ni. However, bulk diffusion of interacting C atoms in Cu is not possible due to the preferential C-C bonding over C-Cu bonding, which results in C-C dimer pair formation near the surface. The dramatically different C-C interaction effects within the different substrates explain the contrasting growth mechanisms of graphene on Ni(111) and Cu(111) during chemical vapor deposition.

Basic Studies of Non-Diffusive Transport in Plasmas

Energy Technology Data Exchange (ETDEWEB)

Morales, George J. [University of California, Los Angeles, CA (United States); Maggs, James E. [University of California, Los Angeles, CA (United States)

2014-10-25

The project expanded and developed mathematical descriptions, and corresponding numerical modeling, of non-diffusive transport to incorporate new perspectives derived from basic transport experiments performed in the LAPD device at UCLA, and at fusion devices throughout the world. By non-diffusive it is meant that the transport of fundamental macroscopic parameters of a system, such as temperature and density, does not follow the standard diffusive behavior predicted by a classical Fokker-Planck equation. The appearance of non-diffusive behavior is often related to underlying microscopic processes that cause the value of a system parameter, at one spatial position, to be linked to distant events, i.e., non-locality. In the LAPD experiments the underlying process was traced to large amplitude, coherent drift-waves that give rise to chaotic trajectories. Significant advances were made in this project. The results have lead to a new perspective about the fundamentals of edge transport in magnetically confined plasmas; the insight has important consequences for worldwide studies in fusion devices. Progress was also made in advancing the mathematical techniques used to describe fractional diffusion.

Secondary Educational Institution Centered Diffusion of ICT in Rural Bangladesh

DEFF Research Database (Denmark)

Khalid, Md. Saifuddin

for development (ICT4D) and educational technology in the scope and findings as follows. The current literature lacks a holistic understanding of the complexities of the barriers that are rooted and entangled across individual, social, and organizational policies and power structures. Moreover......This dissertation presents a holistic approach for exploring, analyzing, solving, and circumventing the barriers to the integration and adoption of ICT in relation to the learning environments of secondary educational institutions in rural Bangladesh. It contributes to the fields of ICT......, there is an absence of empirical studies for the diffusion of ICT using mixed methods, methodological appropriation, and practical diffusion strategy identification. Therefore, I have taken my motivation from the “Vision 2021: Digital Bangladesh” initiatives and consider that ICT is a relatively new field...

Global diffusive fluxes of methane in marine sediments

NARCIS (Netherlands)

Egger, M.; Riedinger, N.; Mogollón, J.M.; Jørgensen, B.B.

2018-01-01

Anaerobic oxidation of methane provides a globally important, yet poorly constrained barrier for the vast amounts of methane produced in the subseafloor. Here we provide a global map and budget of the methane flux and degradation in diffusion-controlled marine sediments in relation to the depth of

Real depletion in nodal diffusion codes

International Nuclear Information System (INIS)

Petkov, P.T.

2002-01-01

The fuel depletion is described by more than one hundred fuel isotopes in the advanced lattice codes like HELIOS, but only a few fuel isotopes are accounted for even in the advanced steady-state diffusion codes. The general assumption that the number densities of the majority of the fuel isotopes depend only on the fuel burnup is seriously in error if high burnup is considered. The real depletion conditions in the reactor core differ from the asymptotic ones at the stage of lattice depletion calculations. This study reveals which fuel isotopes should be explicitly accounted for in the diffusion codes in order to predict adequately the real depletion effects in the core. A somewhat strange conclusion is that if the real number densities of the main fissionable isotopes are not explicitly accounted for in the diffusion code, then Sm-149 should not be accounted for either, because the net error in k-inf is smaller (Authors)

An Invariance Principle to Ferrari-Spohn Diffusions

Science.gov (United States)

Ioffe, Dmitry; Shlosman, Senya; Velenik, Yvan

2015-06-01

We prove an invariance principle for a class of tilted 1 + 1-dimensional SOS models or, equivalently, for a class of tilted random walk bridges in . The limiting objects are stationary reversible ergodic diffusions with drifts given by the logarithmic derivatives of the ground states of associated singular Sturm-Liouville operators. In the case of a linear area tilt, we recover the Ferrari-Spohn diffusion with log-Airy drift, which was derived in Ferrari and Spohn (Ann Probab 33(4):1302—1325, 2005) in the context of Brownian motions conditioned to stay above circular and parabolic barriers.

Hydrogen isotope in erbium oxide: Adsorption, penetration, diffusion, and vacancy trapping

Energy Technology Data Exchange (ETDEWEB)

Mao, Wei, E-mail: mao@nuclear.jp [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Chikada, Takumi [Department of Chemistry, Graduate School of Science, Shizuoka University, 836 Ohya, Suruga-ku, Shizuoka 422-8529 (Japan); Suzuki, Akihiro [Nuclear Professional School, School of Engineering, The University of Tokyo, 2-22, Shirakata-shirane, Tokai, Naka 319-1188, Ibaraki (Japan); Terai, Takayuki [Department of Nuclear Engineering and Management, School of Engineering, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-8656 (Japan); Matsuzaki, Hiroyuki [The University Museum, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)

2015-03-15

Highlights: • H adsorption on cubic Er{sub 2}O{sub 3} surface results in electron transfer from H to the surface. • The H penetration energy of at least 1.6 eV is required for cubic Er{sub 2}O{sub 3} surface. • The dominated mechanisms of H diffusion in bulk Er{sub 2}O{sub 3} are elucidated. • H diffusion near or at vacancies in Er{sub 2}O{sub 3} is an exothermic reaction. - Abstract: In this study, we report results using first-principles density functional theory calculations for four critical aspects of the interaction: H adsorption on Er{sub 2}O{sub 3} surface, surface-to-subsurface penetration of H into Er{sub 2}O{sub 3}, bulk diffusion of H in Er{sub 2}O{sub 3}, and trapping of H at vacancies. We identify surface stable adsorption positions and find that H prefers to transfer electrons to the surfaces and form covalent bonds with the nearest neighboring four oxygen atoms. For low surface coverage of H as in our case (0.89 × 10{sup 14} H/cm{sup 2}), a penetration energy of at least 1.60 eV is required for cubic Er{sub 2}O{sub 3} surfaces. Further, the H diffusion barrier between the planes defined by Er{sub 2}O{sub 3} units along the favorable <1 1 1> direction is found to be very small – 0.16 eV – whereas higher barriers of 0.41 eV and 1.64 eV are required for diffusion across the planes, somewhat higher than the diffusion energy barrier of 0.20 eV observed experimentally at 873 K. In addition, we predict that interstitial H is exothermically trapped when it approaches a vacancy with the vacancy defect behaving as an electron trap since the H-vacancy defect is found to be more stable than the intrinsic defect.

Hafnia-Based Nanostructured Thermal Barrier Coatings for Advanced Hydrogen Turbine Technology

Energy Technology Data Exchange (ETDEWEB)

Ramana, Chintalapalle; Choudhuri, Ahsan

2013-01-31

Thermal barrier coatings (TBCs) are critical technologies for future gas turbine engines of advanced coal based power generation systems. TBCs protect engine components and allow further increase in engine temperatures for higher efficiency. In this work, nanostructured HfO{sub 2}-based coatings, namely Y{sub 2}O{sub 3}-stabilized HfO{sub 2} (YSH), Gd{sub 2}O{sub 3}-stabilized HfO{sub 2} (GSH) and Y{sub 2}O{sub 3}-stabilized ZrO{sub 2}-HfO{sub 2} (YSZH) were investigated for potential TBC applications in hydrogen turbines. Experimental efforts are aimed at creating a fundamental understanding of these TBC materials. Nanostructured ceramic coatings of YSH, GSH and YSZH were grown by physical vapor deposition methods. The effects of processing parameters and ceramic composition on the microstructural evolution of YSH, GSH and YSZH nanostructured coatings was studied using combined X-ray diffraction (XRD) and Electron microscopy analyses. Efforts were directed to derive a detailed understanding of crystal-structure, morphology, and stability of the coatings. In addition, thermal conductivity as a function of composition in YSH, YSZH and GSH coatings was determined. Laboratory experiments using accelerated test environments were used to investigate the relative importance of various thermo-mechanical and thermo-chemical failure modes of TBCs. Effects of thermal cycling, oxidation and their complex interactions were evaluated using a syngas combustor rig.

Barrier penetration effects on thermopower in semiconductor quantum wells

International Nuclear Information System (INIS)

Vaidya, R. G.; Sankeshwar, N. S.; Mulimani, B. G.

2014-01-01

Finite confinement effects, due to the penetration of the electron wavefunction into the barriers of a square well potential, on the low–temperature acoustic-phonon-limited thermopower (TP) of 2DEG are investigated. The 2DEG is considered to be scattered by acoustic phonons via screened deformation potential and piezoelectric couplings. Incorporating the barrier penetration effects, the dependences of diffusion TP and phonon drag TP on barrier height are studied. An expression for phonon drag TP is obtained. Numerical calculations of temperature dependences of mobility and TP for a 10 nm InN/In x Ga 1−x N quantum well for different values of x show that the magnitude and behavior of TP are altered. A decrease in the barrier height from 500 meV by a factor of 5, enhances the mobility by 34% and reduces the TP by 58% at 20 K. Results are compared with those of infinite barrier approximation

Dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Han, Zongying [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Union Research Center of Fuel Cell, School of Chemical and Environmental Engineering, China University of Mining and Technology, Beijing 100083 (China); Chen, Haipeng [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); Zhou, Shixue, E-mail: zhoushixue66@163.com [College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590 (China); College of Mechanical and Electronic Engineering, Shandong University of Science and Technology, Qingdao 266590 (China)

2017-02-01

Highlights: • Clarify the effect of vacancy defect on H{sub 2} dissociation on Mg (0001) surface. • Demonstrate the effects of vacancy defect on H atom diffusion. • Reveal the minimum energy diffusion path of H atom from magnesium surface into bulk. - Abstract: First-principles calculations with the density functional theory (DFT) have been carried out to study dissociation and diffusion of hydrogen on defect-free and vacancy defective Mg (0001) surfaces. Results show that energy barriers of 1.42 eV and 1.28 eV require to be overcome for H{sub 2} dissociation on defect-free and vacancy defective Mg (0001) surfaces respectively, indicating that reactivity of Mg (0001) surface is moderately increased due to vacancy defect. Besides, the existence of vacancy defect changes the preferential H atom diffusion entrance to the subsurface and reduces the diffusion energy barrier. An interesting remark is that the minimum energy diffusion path of H atom from magnesium surface into bulk is a spiral channel formed by staggered octahedral and tetrahedral interstitials. The diffusion barriers computed for H atom penetration from the surface into inner-layers are all less than 0.70 eV, which is much smaller than the activation energy for H{sub 2} dissociation on the Mg (0001) surface. This suggests that H{sub 2} dissociation is more likely than H diffusion to be rate-limiting step for magnesium hydrogenation.

Thermal diffusivity of samarium-gadolinium zirconate solid solutions

International Nuclear Information System (INIS)

Pan, W.; Wan, C.L.; Xu, Q.; Wang, J.D.; Qu, Z.X.

2007-01-01

We synthesized samarium-gadolinium zirconate solid solutions and determined their thermal diffusivities, Young's moduli and thermal expansion coefficients, which are very important for their application in thermal barrier coatings. Samarium-gadolinium zirconate solid solutions have extremely low thermal diffusivity between 20 and 600 deg. C. The solid solutions have lower Young's moduli and higher thermal expansion coefficients than those of pure samarium and gadolinium zirconates. This combination of characteristics is promising for the application of samarium and gadolinium zirconates in gas turbines. The mechanism of phonon scattering by point defects is discussed

The effect of barrier layer-mediated catalytic deactivation in vertically aligned carbon nanotube growth

International Nuclear Information System (INIS)

Patole, S P; Yu, Seong-Man; Shin, Dong-Wook; Yoo, Ji-Beom; Kim, Ha-Jin; Han, In-Taek; Kwon, Kee-Won

2010-01-01

The effect of Al-barrier layer-mediated Fe-catalytic deactivation in vertically aligned carbon nanotube (CNT) growth was studied. The substrate surface morphology, catalytic diffusion and barrier layer oxidation were found to be dependent on the annealing temperature of the barrier layer, which ultimately affects CNT growth. The annealed barrier layer without complete oxidation was found to be suitable for top to bottom super aligned CNT arrays. The highest average CNT growth rate of up to 3.88 μm s -1 was observed using this simple approach. Details of the analysis are also presented.

Dimer-flipping-assisted diffusion on a Si(001) surface

International Nuclear Information System (INIS)

Zi, J.; Min, B. J.; Lu, Y.; Wang, C. Z.; Ho, K. M.

2000-01-01

The binding sites and diffusion pathways of Si adatoms on a c(4x2) reconstructed Si(001) surface are investigated by a tight-binding method with an environment-dependent silicon potential in conjunction with ab initio calculations using the Car--Parrinello method. A new diffusion pathway along the trough edge driven by dimer flipping is found with a barrier of 0.74 eV, comparable to that of 0.68 eV along the top of the dimer rows

Calculation of multidimensional potential energy surfaces for even-even transuranium nuclei: systematic investigation of the triaxiality effect on the fission barrier

Science.gov (United States)

Chai, Qing-Zhen; Zhao, Wei-Juan; Liu, Min-Liang; Wang, Hua-Lei

2018-05-01

Static fission barriers for 95 even-even transuranium nuclei with charge number Z = 94–118 have been systematically investigated by means of pairing self-consistent Woods-Saxon-Strutinsky calculations using the potential energy surface approach in multidimensional (β 2, γ, β 4) deformation space. Taking the heavier 252Cf nucleus (with the available fission barrier from experiment) as an example, the formation of the fission barrier and the influence of macroscopic, shell and pairing correction energies on it are analyzed. The results of the present calculated β 2 values and barrier heights are compared with previous calculations and available experiments. The role of triaxiality in the region of the first saddle is discussed. It is found that the second fission barrier is also considerably affected by the triaxial deformation degree of freedom in some nuclei (e.g., the Z=112–118 isotopes). Based on the potential energy curves, general trends of the evolution of the fission barrier heights and widths as a function of the nucleon numbers are investigated. In addition, the effects of Woods-Saxon potential parameter modifications (e.g., the strength of the spin-orbit coupling and the nuclear surface diffuseness) on the fission barrier are briefly discussed. Supported by National Natural Science Foundation of China (11675148, 11505157), the Project of Youth Backbone Teachers of Colleges and Universities of Henan Province (2017GGJS008), the Foundation and Advanced Technology Research Program of Henan Province (162300410222), the Outstanding Young Talent Research Fund of Zhengzhou University (1521317002) and the Physics Research and Development Program of Zhengzhou University (32410017)

First-principles study on the interaction of nitrogen atom with α–uranium: From surface adsorption to bulk diffusion

International Nuclear Information System (INIS)

Su, Qiulei; Deng, Huiqiu; Xiao, Shifang; Li, Xiaofan; Hu, Wangyu; Ao, Bingyun; Chen, Piheng

2014-01-01

Experimental studies of nitriding on uranium surfaces show that the modified layers provide considerable protection against air corrosion. The bimodal distribution of nitrogen is affected by both its implantation and diffusion, and the diffusion of nitrogen during implantation is also governed by vacancy trapping. In the present paper, nitrogen adsorption, absorption, diffusion, and vacancy trapping on the surface of and in the bulk of α–uranium are studied with a first-principles density functional theory approach and the climbing image nudged elastic band method. The calculated results indicate that, regardless of the nitrogen coverage, a nitrogen atom prefers to reside at the hollow1 site and octahedral (Oct) site on and below the surface, respectively. The lowest energy barriers for on-surface and penetration diffusion occur at a coverage of 1/2 monolayer. A nitrogen atom prefers to occupy the Oct site in bulk α–uranium. High energy barriers are observed during the diffusion between neighboring Oct sites. A vacancy can capture its nearby interstitial nitrogen atom with a low energy barrier, providing a significant attractive nitrogen-vacancy interaction at the trapping center site. This study provides a reference for understanding the nitriding process on uranium surfaces

Characterisation, modelling and control of advanced scenarios in the european tokamak jet

International Nuclear Information System (INIS)

Tresset, G.

2002-01-01

The advanced scenarios, developed for less than ten years with the internal transport barriers and the control of current profile, give rise to a 'new deal' for the tokamak as a future thermonuclear controlled fusion reactor. The Joint European Torus (JET) in United Kingdom is presently the most powerful device in terms of fusion power and it has allowed to acquire a great experience in these improved confinement regimes. The reduction of turbulent transport, considered now as closely linked to the shape of current profile optimised for instance by lower hybrid current drive or the self-generated bootstrap current, can be characterised by a dimensionless criterion. Most of useful information related to the transport barriers are thus available. Large database analysis and real time plasma control are envisaged as attractive applications. The so-called 'S'-shaped transport models exhibit some interesting properties in fair agreement with the experiments, while the non-linear multivariate dependencies of thermal diffusivity can be approximated by a neural network, suggesting a new approach for transport investigation and modelling. Finally, the first experimental demonstrations of real time control of internal transport barriers and current profile have been performed on JET. Sophisticated feedback algorithms have been proposed and are being numerically tested to achieve steady-state and efficient plasmas. (author)

Solar systems diffusion in local markets

International Nuclear Information System (INIS)

Sidiras, D.K.; Koukios, E.G.

2004-01-01

This paper reports on a study of the driving forces and barriers of the spectacular diffusion of solar energy use for domestic hot-water production in Greece. Through the various kinds of questionnaires used in this work, the main diffusion actors have been requested to grade the various diffusion factors identified by desk and preliminary field research. Households identify a number of economic (available family income), technical (new technologies), political (new incentives), and socio-cultural (sensitivity in energy matters) factors as dominant. According to the solar industry, advertising, distribution and quality control standards have to be added to the list of critical factors. Technical experts contribute with identifying, besides R and D, public awareness on energy matters. Solar collector diffusion, despite the fact that it has followed a market-driven mechanism, was revealed to be a multi-actor, multi-dimensional and multi-parametric phenomenon. Presently, the phenomenon is constrained by the available family income, with technology-related factors, i.e., research, and standardization quality control, playing increasing roles

Co-doping with antimony to control phosphorous diffusion in germanium

KAUST Repository

Tahini, H. A.; Chroneos, Alexander; Grimes, R. W.; Schwingenschlö gl, Udo

2013-01-01

donor co-doping on the migration activation energies of vacancy-mediated diffusion processes. The migration energy barriers for phosphorous and antimony were found to be increased significantly when larger clusters involving two donor atoms and a vacancy

EDX and ion beam treatment studies of filamentary in situ MgB2 wires with Ti barrier

International Nuclear Information System (INIS)

Rosova, A.; Kovac, P.; Husek, I.; Kopera, L.

2011-01-01

Highlights: → SiC-doped MgB 2 wires with Ti barrier showed good Jc in magnetic field. → Explanation why the Ti barrier fits to SiC-doped MgB 2 filaments. → Ti barrier getters Si from SiC-doped filaments and improve their properties. → Si accumulated in an inner layer of Ti barrier protects filaments from Cu diffusion. → Ion beam treatment helps to discover microstructure of complicated systems. - Abstract: In situ SiC-doped filamentary MgB 2 wires (with the diameter of 0.860 and 0.375 mm) with Cu stabilization separated by Ti barrier layers supported by outer SS sheath and annealed at 800 deg. C/0.5 h have been studied by combination of EDX analysis and ion beam selective etching. It was found that several Ti-Cu inter-metallic compounds were created by Cu-Ti interdiffusion and thus the barrier protection against Cu penetration into the superconducting filaments is limited. We showed an advantage of Ti use as the barrier material in our wires. Ti getters silicon out from the superconducting filament, what purges superconducting MgB 2 from Si and creates an additional Si-rich layer in inner part of Ti barrier which prevents Cu diffusion more effectively.

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

Directory of Open Access Journals (Sweden)

Fadil Iyikanat

2017-08-01

Full Text Available Using first-principles density functional theory calculations, we investigate adsorption properties and the diffusion mechanism of a Li atom on hydrogenated single-layer α- and β-silicene on a Ag(111 surface. It is found that a Li atom binds strongly on the surfaces of both α- and β-silicene, and it forms an ionic bond through the transfer of charge from the adsorbed atom to the surface. The binding energies of a Li atom on these surfaces are very similar. However, the diffusion barrier of a Li atom on H-α-Si is much higher than that on H-β-Si. The energy surface calculations show that a Li atom does not prefer to bind in the vicinity of the hydrogenated upper-Si atoms. Strong interaction between Li atoms and hydrogenated silicene phases and low diffusion barriers show that α- and β-silicene are promising platforms for Li-storage applications.

Multidimensional and memory effects on diffusion of a particle

International Nuclear Information System (INIS)

Bao, Jing-Dong

2001-01-01

The diffusion of an overdamped Brownian particle in the two-dimensional (2D) channel bounded periodically by a parabola is studied, where the particle is subject to an additive white or colored noise. The diffusion rate constant D * of the particle is evaluated by the quasi-2D approximation and the effective potential approach, and the theoretical result is compared with the Langevin simulation. The properties of the diffusion rate constant are stressed for weak and strong noise cases. It is shown that, in an entropy channel, the value of D * in units of Q decreases with increasing intensity of the colored noise. In the presence of energetic barriers, a nonmonotonic behavior of the reduced diffusion rate constant D * Q -1 as a function of the noise intensity is shown

First-Principles Investigation of Adsorption and Diffusion of Ions on Pristine, Defective and B-doped Graphene

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Wei Wan

2015-09-01

Full Text Available We performed first-principles calculations to reveal the possibility of applying pristine, defective, and B-doped graphene in feasible negative electrode materials of ion batteries. It is found that the barriers for ions are too high to diffuse through the original graphene, however the reduced barriers are obtained by introducing defects (single vacancy, double vacancy, Stone–Wales defect in the graphene. Among the three types of defects, the systems with a double vacancy could provide the lowest barriers of 1.49 and 6.08 eV for Li and Na, respectively. Furthermore, for all kinds of B-doped graphene with the vacancy, the systems with a double vacancy could also provide the lowest adsorption energies and diffusion barriers. Therefore, undoped and B-doped graphene with a double vacancy turn out to be the most promising candidates that can replace pristine graphene for anode materials in ion batteries.

On the formation mechanisms of the diffuse atmospheric pressure dielectric barrier discharge in CVD processes of thin silica-like films

International Nuclear Information System (INIS)

Starostin, S A; Premkumar, P Antony; Creatore, M; Van Veldhuizen, E M; Van de Sanden, M C M; De Vries, H; Paffen, R M J

2009-01-01

Pathways of formation and temporal evolution of the diffuse dielectric barrier discharge at atmospheric pressure were experimentally studied in this work by means of optical (fast imaging camera) and electrical diagnostics. The chosen model system is relevant for applications of plasma-enhanced chemical vapor deposition of thin silica-like film on the polymeric substrate, from cost-efficient gas mixtures of Ar/N 2 /O 2 /hexamethyldisiloxane. It was found that the discharge can gradually experience the phases of homogeneous low current Townsend-like mode, local Townsend to glow transition and expanding high current density (∼0.7 A cm -2 ) glow-like mode. While the glow-like current spot occupies momentarily only a small part of the electrode area, its expanding behavior provides uniform treatment of the whole substrate surface. Alternatively, it was observed that a visually uniform discharge can be formed by the numerous microdischarges overlapping over the large electrode area.

On the formation mechanisms of the diffuse atmospheric pressure dielectric barrier discharge in CVD processes of thin silica-like films

Energy Technology Data Exchange (ETDEWEB)

Starostin, S A; Premkumar, P Antony [Materials Innovation Institute (M2i), Mekelweg 2, 2600 GA Delft, The Netherland (Netherlands); Creatore, M; Van Veldhuizen, E M; Van de Sanden, M C M [Department of Applied Physics, Eindhoven University of Technology, 5600 MB Eindhoven (Netherlands); De Vries, H; Paffen, R M J [FUJIFILM Manufacturing Europe B.V, PO Box 90156, Tilburg (Netherlands)

2009-11-15

Pathways of formation and temporal evolution of the diffuse dielectric barrier discharge at atmospheric pressure were experimentally studied in this work by means of optical (fast imaging camera) and electrical diagnostics. The chosen model system is relevant for applications of plasma-enhanced chemical vapor deposition of thin silica-like film on the polymeric substrate, from cost-efficient gas mixtures of Ar/N{sub 2}/O{sub 2}/hexamethyldisiloxane. It was found that the discharge can gradually experience the phases of homogeneous low current Townsend-like mode, local Townsend to glow transition and expanding high current density ({approx}0.7 A cm{sup -2}) glow-like mode. While the glow-like current spot occupies momentarily only a small part of the electrode area, its expanding behavior provides uniform treatment of the whole substrate surface. Alternatively, it was observed that a visually uniform discharge can be formed by the numerous microdischarges overlapping over the large electrode area.

Nonlocal transport in the presence of transport barriers

Science.gov (United States)

Del-Castillo-Negrete, D.

2013-10-01

There is experimental, numerical, and theoretical evidence that transport in plasmas can, under certain circumstances, depart from the standard local, diffusive description. Examples include fast pulse propagation phenomena in perturbative experiments, non-diffusive scaling in L-mode plasmas, and non-Gaussian statistics of fluctuations. From the theoretical perspective, non-diffusive transport descriptions follow from the relaxation of the restrictive assumptions (locality, scale separation, and Gaussian/Markovian statistics) at the foundation of diffusive models. We discuss an alternative class of models able to capture some of the observed non-diffusive transport phenomenology. The models are based on a class of nonlocal, integro-differential operators that provide a unifying framework to describe non- Fickian scale-free transport, and non-Markovian (memory) effects. We study the interplay between nonlocality and internal transport barriers (ITBs) in perturbative transport including cold edge pulses and power modulation. Of particular interest in the nonlocal ``tunnelling'' of perturbations through ITBs. Also, flux-gradient diagrams are discussed as diagnostics to detect nonlocal transport processes in numerical simulations and experiments. Work supported by the US Department of Energy.

Enhanced oxygen vacancy diffusion in Ta2O5 resistive memory devices due to infinitely adaptive crystal structure

Science.gov (United States)

Jiang, Hao; Stewart, Derek A.

2016-04-01

Metal oxide resistive memory devices based on Ta2O5 have demonstrated high switching speed, long endurance, and low set voltage. However, the physical origin of this improved performance is still unclear. Ta2O5 is an important archetype of a class of materials that possess an adaptive crystal structure that can respond easily to the presence of defects. Using first principles nudged elastic band calculations, we show that this adaptive crystal structure leads to low energy barriers for in-plane diffusion of oxygen vacancies in λ phase Ta2O5. Identified diffusion paths are associated with collective motion of neighboring atoms. The overall vacancy diffusion is anisotropic with higher diffusion barriers found for oxygen vacancy movement between Ta-O planes. Coupled with the fact that oxygen vacancy formation energy in Ta2O5 is relatively small, our calculated low diffusion barriers can help explain the low set voltage in Ta2O5 based resistive memory devices. Our work shows that other oxides with adaptive crystal structures could serve as potential candidates for resistive random access memory devices. We also discuss some general characteristics for ideal resistive RAM oxides that could be used in future computational material searches.

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

Directory of Open Access Journals (Sweden)

Kehua Zhong

2017-07-01

Full Text Available The Li+ diffusion coefficients in Li+-adsorbed graphene systems were determined by combining first-principle calculations based on density functional theory with Kinetic Monte Carlo simulations. The calculated results indicate that the interactions between Li ions have a very important influence on lithium diffusion. Based on energy barriers directly obtained from first-principle calculations for single-Li+ and two-Li+ adsorbed systems, a new equation predicting energy barriers with more than two Li ions was deduced. Furthermore, it is found that the temperature dependence of Li+ diffusion coefficients fits well to the Arrhenius equation, rather than meeting the equation from electrochemical impedance spectroscopy applied to estimate experimental diffusion coefficients. Moreover, the calculated results also reveal that Li+ concentration dependence of diffusion coefficients roughly fits to the equation from electrochemical impedance spectroscopy in a low concentration region; however, it seriously deviates from the equation in a high concentration region. So, the equation from electrochemical impedance spectroscopy technique could not be simply used to estimate the Li+ diffusion coefficient for all Li+-adsorbed graphene systems with various Li+ concentrations. Our work suggests that interactions between Li ions, and among Li ion and host atoms will influence the Li+ diffusion, which determines that the Li+ intercalation dependence of Li+ diffusion coefficient should be changed and complex.

Ultrafast and directional diffusion of lithium in phosphorene for high-performance lithium-ion battery.

Science.gov (United States)

Li, Weifeng; Yang, Yanmei; Zhang, Gang; Zhang, Yong-Wei

2015-03-11

Density functional theory calculations have been performed to investigate the binding and diffusion behavior of Li in phosphorene. Our studies reveal the following findings: (1) Li atom forms strong binding with phosphorus atoms and exists in the cationic state; (2) the shallow energy barrier (0.08 eV) of Li diffusion on monolayer phosphorene along zigzag direction leads to an ultrahigh diffusivity, which is estimated to be 10(2) (10(4)) times faster than that on MoS2 (graphene) at room temperature; (3) the large energy barrier (0.68 eV) along armchair direction results in a nearly forbidden diffusion, and such strong diffusion anisotropy is absent in graphene and MoS2; (4) a remarkably large average voltage of 2.9 V is predicted in the phosphorene-based Li-ion battery; and (5) a semiconducting to metallic transition induced by Li intercalation of phosphorene gives rise to a good electrical conductivity, ideal for use as an electrode. Given these advantages, it is expected that phosphorene will present abundant opportunities for applications in novel electronic device and lithium-ion battery with a high rate capability and high charging voltage.

Density functional theory prediction for diffusion of lithium on boron-doped graphene surface

International Nuclear Information System (INIS)

Gao Shuanghong; Ren Zhaoyu; Wan Lijuan; Zheng Jiming; Guo Ping; Zhou Yixuan

2011-01-01

The density functional theory (DFT) investigation shows that graphene has changed from semimetal to semiconductor with the increasing number of doped boron atoms. Lithium and boron atoms acted as charge contributors and recipients, which attracted to each other. Further investigations show that, the potential barrier for lithium diffusion on boron-doped graphene is higher than that of intrinsic graphene. The potential barrier is up to 0.22 eV when six boron atoms doped (B 6 C 26 ), which is the lowest potential barrier in all the doped graphene. The potential barrier is dramatically affected by the surface structure of graphene.

Early diffusion weighted magnetic resonance imaging can predict survival in women with locally advanced cancer of the cervix treated with combined chemo-radiation

International Nuclear Information System (INIS)

Somoye, Gbolahan; Parkin, David; Harry, Vanessa; Semple, Scott; Plataniotis, George; Scott, Neil; Gilbert, Fiona J.

2012-01-01

To assess the predictive value of diffusion weighted imaging (DWI) for survival in women treated for advanced cancer of the cervix with concurrent chemo-radiotherapy. Twenty women treated for advanced cancer of the cervix were recruited and followed up for a median of 26 (range -3 /mm 2 /s), respectively, P = 0.02. The median change in ADC 14 days after treatment commencement was significantly higher in the alive group compared to non-survivors, 0.28 and 0.14 (x 10 -3 /mm 2 /s), respectively, P = 0.02. There was no evidence of a difference between survivors and non-survivors for pretreatment baseline or post-therapy ADC values. Functional DWI early in the treatment of advanced cancer of the cervix may provide useful information in predicting survival. (orig.)

Photovoltaic technology diffusion. Contact and interact

International Nuclear Information System (INIS)

Kruijsen, J.

1999-09-01

How can the diffusion of photovoltaic technologies be advanced? Photovoltaics convert light into electrical energy. They are environmentally friendly, reliable and have minimal maintenance requirements. Up to now, their introduction into the electricity market has been dominated by a technology push perspective. However, this has not yet resulted in a large-scale implementation. This thesis describes a network approach to advance photovoltaic diffusion and presents four guiding principles intended for the parties concerned: those who supply the photovoltaic technologies (e.g., developers of photovoltaic cells); those who integrate photovoltaic technologies into (new) product systems (e.g., engineering firms); the users of photovoltaic systems (e.g., housing corporations); and those who stimulate the use of photovoltaics (e.g., policymakers, subsidisers, branch organisations, financial institutes, and NGOs). refs

The Role of Lattice Vibrations in Adatom Diffusion at Metal Stepped Surfaces

International Nuclear Information System (INIS)

Durakanoglu, S.

2004-01-01

Diffusion of a single atom on metal surfaces remains a subject of continuing interest in the surface science community because of the important role it plays in several technologically important phenomena such as thin-film and eptaxial growth, catalysis and chemical reactions. Except for a few studies, most of theoretical works, ranging from molecular dynamic simulations to first principle electronic structure calculations, are devoted to determination of the characteristics of the diffusion processes and the energy barriers, neglecting the contribution of lattice vibrations in adatom diffusion. However, in a series of theoretical works on self-diffusion on the flat surfaces of Cu(100), Ag(100) and Ni(100), Ulrike et al.[1-3], showed that the vibrational contributions are important and should be included in any complete description of the temperature dependence of the diffusion coefficient. In this work, it is our aim to examine the role of lattice vibrations in adatom diffusion at stepped surfaces of Cu(100) and Ni(100) within the framework of transition state theory. Ehrlich-Shwoebel energy barriers for an adatom diffusing over a step-edge are calculated through the inclusion of vibrational internal energy. Local vibrational density of states, main ingredient to the vibrational thermodynamic functions, are calculated in the harmonic approximation, using real space Green's function method with the force constants derived from interaction potentials based on the embedded atom method. We emphasize the sensitivity of the local vibrational density of states to the local atomic environment. We, furthermore, discuss the contribution of thermodynamic functions calculated from local vibrational density of states to the prefactors in diffusion coefficient

Recent advances in mass transport in materials

CERN Document Server

Ochsner, Andreas

2012-01-01

The present topical volume presents a representative cross-section of some recent advances made in the area of diffusion. The range of topics covered is very large, and, this reflects the enormous breadth of the topic of diffusion. The areas covered include diffusion in intermetallics, phenomenological diffusion theory, diffusional creep, kinetics of steel-making, diffusion in thin films, precipitation, diffusional phase transformations, atomistic diffusion simulations, epitaxial growth and diffusion in porous media. Review from Book News Inc.: In 13 invited and peer-reviewed papers, scientist

The impact of porosity on the formation of manganese based copper diffusion barrier layers on low-κ dielectric materials

International Nuclear Information System (INIS)

McCoy, A P; Bogan, J; Walsh, L; Byrne, C; O’Connor, R; Hughes, G; Woicik, J C

2015-01-01

This work investigates the impact of porosity in low-κ dielectric materials on the chemical and structural properties of deposited Mn thin films for copper diffusion barrier layer applications. X-ray photoelectron spectrscopy (XPS) results highlight the difficulty in distinguishing between the various Mn oxidation states which form at the interlayer dielectric (ILD)/Mn interface. The presence of MnSiO 3 and MnO were identified using x-ray absorption spectroscopy (XAS) measurements on both porous and non-porous dielectric materials with evidence of Mn 2 O 3 and Mn 3 O 4 in the deposited film on the latter surface. It is shown that a higher proportion of deposited Mn converts to Mn silicate on an ILD film which has 50% porosity compared with the same dielectric material with no porosity, which is attributed to an enhanced chemical interaction with the effective larger surface area of porous dielectric materials. Transmission electron microscopy (TEM) and energy-dispersive x-ray spectroscopy (EDX) data shows that the Mn overlayer remains predominately surface localised on both porous and non-porous materials. (paper)

Oxygen Barrier Coating Deposited by Novel Plasma-enhanced Chemical Vapor Deposition

DEFF Research Database (Denmark)

Jiang, Juan; Benter, M.; Taboryski, Rafael Jozef

2010-01-01

We report the use of a novel plasma-enhanced chemical vapor deposition chamber with coaxial electrode geometry for the SiOx deposition. This novel plasma setup exploits the diffusion of electrons through the inner most electrode to the interior samples space as the major energy source. This confi......We report the use of a novel plasma-enhanced chemical vapor deposition chamber with coaxial electrode geometry for the SiOx deposition. This novel plasma setup exploits the diffusion of electrons through the inner most electrode to the interior samples space as the major energy source...... effect of single-layer coatings deposited under different reaction conditions was studied. The coating thickness and the carbon content in the coatings were found to be the critical parameters for the barrier property. The novel barrier coating was applied on different polymeric materials...

Profiling of barrier capacitance and spreading resistance using a transient linearly increasing voltage technique.

Science.gov (United States)

Gaubas, E; Ceponis, T; Kusakovskij, J

2011-08-01

A technique for the combined measurement of barrier capacitance and spreading resistance profiles using a linearly increasing voltage pulse is presented. The technique is based on the measurement and analysis of current transients, due to the barrier and diffusion capacitance, and the spreading resistance, between a needle probe and sample. To control the impact of deep traps in the barrier capacitance, a steady state bias illumination with infrared light was employed. Measurements of the spreading resistance and barrier capacitance profiles using a stepwise positioned probe on cross sectioned silicon pin diodes and pnp structures are presented.

Finite-time barriers to reaction front propagation

Science.gov (United States)

Locke, Rory; Mahoney, John; Mitchell, Kevin

2015-11-01

Front propagation in advection-reaction-diffusion systems gives rise to rich geometric patterns. It has been shown for time-independent and time-periodic fluid flows that invariant manifolds, termed burning invariant manifolds (BIMs), serve as one-sided dynamical barriers to the propagation of reaction front. More recently, theoretical work has suggested that one-sided barriers, termed burning Lagrangian Coherent structures (bLCSs), exist for fluid velocity data prescribed over a finite time interval, with no assumption on the time-dependence of the flow. In this presentation, we use a time-varying fluid ``wind'' in a double-vortex channel flow to demonstrate that bLCSs form the (locally) most attracting or repelling fronts.

Advanced technologies for decontamination and conversion of scrap metal

International Nuclear Information System (INIS)

MacNair, V.; Muth, T.; Shasteen, K.; Liby, A.; Hradil, G.; Mishra, B.

1996-01-01

In October 1993, Manufacturing Sciences Corporation was awarded DOE contract DE-AC21-93MC30170 to develop and test recycling of radioactive scrap metal (RSM) to high value and intermediate and final product forms. This work was conducted to help solve the problems associated with decontamination and reuse of the diffusion plant barrier nickel and other radioactively contaminated scrap metals present in the diffusion plants. Options available for disposition of the nickel include decontamination and subsequent release or recycled product manufacture for restricted end use. Both of these options are evaluated during the course of this research effort. work during phase I of this project successfully demonstrated the ability to make stainless steel from barrier nickel feed. This paved the way for restricted end use products made from stainless steel. Also, after repeated trials and studies, the inducto-slag nickel decontamination process was eliminated as a suitable alternative. Electro-refining appeared to be a promising technology for decontamination of the diffusion plant barrier material. Goals for phase II included conducting experiments to facilitate the development of an electro-refining process to separate technetium from nickel. In parallel with those activities, phase II efforts were to include the development of the necessary processes to make useful products from radioactive scrap metal. Nickel from the diffusion plants as well as stainless steel and carbon steel could be used as feed material for these products

Schottky barriers measurements through Arrhenius plots in gas sensors based on semiconductor films

Directory of Open Access Journals (Sweden)

F. Schipani

2012-09-01

Full Text Available The oxygen adsorption effects on the Schottky barriers height measurements for thick films gas sensors prepared with undoped nanometric SnO2 particles were studied. From electrical measurements, the characteristics of the intergranular potential barriers developed at intergrains were deduced. It is shown that the determination of effective activation energies from conduction vs. 1/temperature curves is not generally a correct manner to estimate barrier heights. This is due to gas adsorption/desorption during the heating and cooling processes, the assumption of emission over the barrier as the dominant conduction mechanism, and the possible oxygen diffusion into or out of the grains.

Experimental Methods and Development of Models on Diffusion of Nuclides onto Rocks

International Nuclear Information System (INIS)

Park, Chung-Kyun; Lee, Jae-Kwang; Baik, Min-Hoon

2007-01-01

In the context of nuclear waste repositories, the rock matrix can act as a barrier against radionuclide migration and matrix diffusion can be an important mechanism for delaying the arrival times to the biosphere. It takes a growing interest whether matrix diffusion is an important retarding and dispersing transport mechanism for solutes carried by groundwater in fractured porous media. It can retard solutes by spreading them from the flowing groundwater into the diluting reservoir of the interconnected pore space of the rock matrix, and providing an increased surface for sorption processes. Diffusion experiments has been carried in crystalline rocks to determine the diffusivities of some radionuclides either by through-diffusion cells or in-diffusion setups. We'd like to compare the experimental methods and their functions according to sorption properties of species

Diffusion and surface alloying of gradient nanostructured metals

Directory of Open Access Journals (Sweden)

Zhenbo Wang

2017-03-01

Full Text Available Gradient nanostructures (GNSs have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed.

Results from transient transport experiments in Rijnhuizen tokamak project: Heat convection, transport barriers and 'non-local' effects

International Nuclear Information System (INIS)

Mantica, P.; Gorini, G.; Hogeweij, G.M.D.; Kloe, J. de; Lopez Cardozo, N.J.; Schilham, A.M.R.

2001-01-01

An overview of experimental transport studies performed on the Rijnhuizen Tokamak Project (RTP) using transient transport techniques in both Ohmic and ECH dominated plasmas is presented. Modulated Electron Cyclotron Heating (ECH) and oblique pellet injection (OPI) have been used to induce electron temperature (T e ) perturbations at different radial locations. These were used to probe the electron transport barriers observed near low order rational magnetic surfaces in ECH dominated steady-state RTP plasmas. Layers of inward electron heat convection in off-axis ECH plasmas were detected with modulated ECH. This suggests that RTP electron transport barriers consist of heat pinch layers rather than layers of low thermal diffusivity. In a different set of experiments, OPI triggered a transient rise of the core T e due to an increase of the T e gradient in the 1< q<2 region. These transient transport barriers were probed with modulated ECH and found to be due to a transient drop of the electron heat diffusivity, except for off-axis ECH plasmas, where a transient inward pinch is also observed. Transient transport studies in RTP could not solve this puzzling interplay between heat diffusion and convection in determining an electron transport barrier. They nevertheless provided challenging experimental evidence both for theoretical modelling and for future experiments. (author)

First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques

International Nuclear Information System (INIS)

Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K.; Alfonso, D.; Alman, D. E.; Shin, Y. K.; Zou, C. Y.; Duin, A. C. T. van; Lei, Y. K.; Wang, G. F.

2014-01-01

This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion

Effective diffusion coefficient of radon in concrete, theory and method for field measurements

International Nuclear Information System (INIS)

Culot, M.V.J.; Olson, H.G.; Schiager, K.J.

1976-01-01

A linear diffusion model serves as the basis for determination of an effective radon diffusion coefficient in concrete. The coefficient was needed to later allow quantitative prediction of radon accumulation within and behind concrete walls after application of an impervious radon barrier. A resolution of certain discrepancies noted in the literature in the use of an effective diffusion coefficient to model diffusion of a radioactive gas through a porous medium is suggested. An outline of factors expected to affect the concrete physical structure and the effective diffusion coefficient of radon through it is also presented. Finally, a field method for evaluating effective radon diffusion coefficients in concrete is proposed and results of measurements performed on a concrete foundation wall are compared with similar published values of gas diffusion coefficients in concrete. (author)

Memory-induced acceleration and slowdown of barrier crossing

Science.gov (United States)

Kappler, Julian; Daldrop, Jan O.; Brünig, Florian N.; Boehle, Moritz D.; Netz, Roland R.

2018-01-01

We study the mean first-passage time τMFP for the barrier crossing of a single massive particle with non-Markovian memory by Langevin simulations in one dimension. In the Markovian limit of short memory time τΓ, the expected Kramers turnover between the overdamped (high-friction) and the inertial (low-friction) limits is recovered. Compared to the Markovian case, we find barrier crossing to be accelerated for intermediate memory time, while for long memory time, barrier crossing is slowed down and τMFP increases with τΓ as a power law τM F P˜τΓ2. Both effects are derived from an asymptotic propagator analysis: while barrier crossing acceleration at intermediate memory can be understood as an effective particle mass reduction, slowing down for long memory is caused by the slow kinetics of energy diffusion. A simple and globally accurate heuristic formula for τMFP in terms of all relevant time scales of the system is presented and used to establish a scaling diagram featuring the Markovian overdamped and the Markovian inertial regimes, as well as the non-Markovian intermediate memory time regime where barrier crossing is accelerated and the non-Markovian long memory time regime where barrier crossing is slowed down.

First-principles studies of di-arsenic interstitial and its implications for arsenic-interstitial diffusion in crystalline silicon

International Nuclear Information System (INIS)

Kim, Yonghyun; Kirichenko, Taras A.; Kong, Ning; Larson, Larry; Banerjee, Sanjay K.

2007-01-01

We propose new structural configurations and novel diffusion mechanisms for neutral di-arsenic interstitial (As 2 I 2 ) in silicon with a first-principle density functional theory simulation within the generalized gradient approximation. With an assumption of excess silicon interstitials and high arsenic concentrations, neutral As 2 I 2 is expected to be favorable and mobile with low-migration barrier. Moreover, because the diffusion barrier of arsenic interstitial pairs (AsI) is very low ( 2 I 2 can be easily formed and likely intermediate stage of larger arsenic interstitial clusters

Effect of uniaxial strain on adatom diffusion across {l_brace}1 1 1{r_brace}-faceted step

Energy Technology Data Exchange (ETDEWEB)

Yang Jianyu, E-mail: wuliyangjianyu@yahoo.com.cn [Department of Maths and Physics, Hunan Institute of Engineering, Donghu Street, Xiangtan 411104 (China); Hu Wangyu, E-mail: Wangyuhu2001@yahoo.com.cn [Department of Applied Physics, Hunan University, Changsha 410082 (China); Tang Jianfeng [Department of Applied Physics, Hunan Agricultural University, Changsha 410128 (China)

2011-02-01

Diffusion of Pt adatom across the strained {l_brace}1 1 1{r_brace}-faceted step is studied by embedded atom method along with nudged elastic band method. For adatom on the flat (1 1 1) surface, the anisotropic diffusion behavior is found as the uniaxial strain is imposed. For the strained {l_brace}1 1 1{r_brace}-faceted step, our results show that the maximum energy barrier for adatom crossing step edge remains approximately constant as the strain varied from -1.0% to 1.0%, and there is a rise as the larger uniaxial strain is applied. The calculated energy barrier for adatom diffusion along the step edge increases with increasing tensile strain, and the slope of the straight line is small.

The added value of advanced neuro-imaging (MR diffusion ...

African Journals Online (AJOL)

Introduction: Primary CNS lymphoma is difficult to diagnose with conventional imaging modalities. Magnetic resonance proton spectroscopy, dynamic susceptibility contrast DSC perfusion and diffusion weighted images have been recently investigated as a problem-solving tool for evaluation of primary CNS lymphoma with ...

Field Testing of an Unvented Roof with Fibrous Insulation, Tiles, and Vapor Diffusion Venting

Energy Technology Data Exchange (ETDEWEB)

Ueno, K. [Building Science Corporation, Westford, MA (United States); Lstiburek, J. W. [Building Science Corporation, Westford, MA (United States)

2016-02-01

This research is a test implementation of an unvented tile roof assembly in a hot-humid climate (Orlando, FL; Zone 2A), insulated with air permeable insulation (netted and blown fiberglass). Given the localized moisture accumulation and failures seen in previous unvented roof field work, it was theorized that a 'diffusion vent' (water vapor open, but air barrier 'closed') at the highest points in the roof assembly might allow for the wintertime release of moisture, to safe levels. The 'diffusion vent' is an open slot at the ridge and hips, covered with a water-resistant but vapor open (500+ perm) air barrier membrane. As a control comparison, one portion of the roof was constructed as a typical unvented roof (self-adhered membrane at ridge). The data collected to date indicate that the diffusion vent roof shows greater moisture safety than the conventional, unvented roof design.

Prototype Development of Remote Operated Hot Uniaxial Press (ROHUP) to Fabricate Advanced Tc-99 Bearing Ceramic Waste Forms - 13381

Energy Technology Data Exchange (ETDEWEB)

Alaniz, Ariana J.; Delgado, Luc R.; Werbick, Brett M. [University of Nevada - Las Vegas, Howard R. Hughes College of Engineering, 4505 S. Maryland Parkway, Box 454009, Las Vegas, NV 89154-4009 (United States); Hartmann, Thomas [University of Nevada - Las Vegas, Harry Reid Canter, 4505 S. Maryland Parkway, Box 454009, Las Vegas, NV 89154-4009 (United States)

2013-07-01

The objective of this senior student project is to design and build a prototype construction of a machine that simultaneously provides the proper pressure and temperature parameters to sinter ceramic powders in-situ to create pellets of rather high densities of above 90% (theoretical). This ROHUP (Remote Operated Hot Uniaxial Press) device is designed specifically to fabricate advanced ceramic Tc-99 bearing waste forms and therefore radiological barriers have been included in the system. The HUP features electronic control and feedback systems to set and monitor pressure, load, and temperature parameters. This device operates wirelessly via portable computer using Bluetooth{sup R} technology. The HUP device is designed to fit in a standard atmosphere controlled glove box to further allow sintering under inert conditions (e.g. under Ar, He, N{sub 2}). This will further allow utilizing this HUP for other potential applications, including radioactive samples, novel ceramic waste forms, advanced oxide fuels, air-sensitive samples, metallic systems, advanced powder metallurgy, diffusion experiments and more. (authors)

Performance characteristics of a self-sealing/self-healing barrier

International Nuclear Information System (INIS)

McGregor, R.G.; Stegemann, J.A.

1997-01-01

Environment Canada and the Netherlands Energy Research Foundation are co-developers of a patented Self-Sealing/Self-Healing (SS/SH) Barrier system for containment of wastes which is licensed to Water Technology International Corporation. The SS/SH Barrier is intended for use as either a liner or cover for landfills, contaminated sites, secondary containment areas, etc., in the industrial, chemical, mining and municipal sectors, and also as a barrier to hydraulic flow for the transportation and construction industry. The SS/SH Barrier's most significant feature is its capability for self-repair in the event of a breach. By contrast, conventional barrier systems, such as clay, geomembrane, or geosynthetic clay liners can not be repaired without laborious excavation and reconstruction. Laboratory investigations have shown that the SS/SH Barrier concept will function with a variety of reactive materials. Self-Sealing/Self-Healing Barriers are cost competitive and consistently exhibit hydraulic conductivities ranging from 10 -9 to 10 -13 m/s, which decrease with time. These measurements meet or exceed the recommended hydraulic conductivity required by EPA for clay liners ( -9 m/s) used in landfills and hazardous waste sites. Results of mineralogical examination of the seal, diffusion testing, hydraulic conductivity measurement, and durability testing, including wet/dry, freeze/thaw cycling and leachate compatibility are also presented

Resolving Fast, Confined Diffusion in Bacteria with Image Correlation Spectroscopy.

Science.gov (United States)

Rowland, David J; Tuson, Hannah H; Biteen, Julie S

2016-05-24

By following single fluorescent molecules in a microscope, single-particle tracking (SPT) can measure diffusion and binding on the nanometer and millisecond scales. Still, although SPT can at its limits characterize the fastest biomolecules as they interact with subcellular environments, this measurement may require advanced illumination techniques such as stroboscopic illumination. Here, we address the challenge of measuring fast subcellular motion by instead analyzing single-molecule data with spatiotemporal image correlation spectroscopy (STICS) with a focus on measurements of confined motion. Our SPT and STICS analysis of simulations of the fast diffusion of confined molecules shows that image blur affects both STICS and SPT, and we find biased diffusion rate measurements for STICS analysis in the limits of fast diffusion and tight confinement due to fitting STICS correlation functions to a Gaussian approximation. However, we determine that with STICS, it is possible to correctly interpret the motion that blurs single-molecule images without advanced illumination techniques or fast cameras. In particular, we present a method to overcome the bias due to image blur by properly estimating the width of the correlation function by directly calculating the correlation function variance instead of using the typical Gaussian fitting procedure. Our simulation results are validated by applying the STICS method to experimental measurements of fast, confined motion: we measure the diffusion of cytosolic mMaple3 in living Escherichia coli cells at 25 frames/s under continuous illumination to illustrate the utility of STICS in an experimental parameter regime for which in-frame motion prevents SPT and tight confinement of fast diffusion precludes stroboscopic illumination. Overall, our application of STICS to freely diffusing cytosolic protein in small cells extends the utility of single-molecule experiments to the regime of fast confined diffusion without requiring advanced

Diffusion of Li+ ion on graphene: A DFT study

International Nuclear Information System (INIS)

Zheng Jiming; Ren Zhaoyu; Guo Ping; Fang Li; Fan Jun

2011-01-01

Density functional theory investigations show that the Li + ion is stabilized at Center of hexagonal carbon ring with the distance of 1.84 Å from graphene surface. The potential barrier of Li + ion diffusion on the graphene surface, about 0.32 eV, is much lower than that of Li + ion penetrating the carbon ring which is 10.68 eV. When a vacancy of graphene exists, potential barrier about 10.25 eV for Li + ion penetrating the defect is still high, and the ability of the vacancy to sizing the Li + ion is also observed. Electronic densities of states show that the formation of a localized bond between Li atom and edge carbon of vacancy is the main reason for high potential barrier when Li + ion penetrate a vacancy. While Coulomb repulsion is the control factor for high potential barrier in case of Li + ion penetrating a carbon ring.

Global Banning of a Diffused Controversial Practice

DEFF Research Database (Denmark)

Gurses, Kerem; Giones, Ferran; Mehta, Kandarpkumar

2017-01-01

We study the deinstitutionalization of a controversial practice that had previously reached a level of international diffusion. We draw on international diffusion and deinstitutionalization theory to study the emergence and diffusion of the third-party ownership practice in the soccer industry. We...... use an inductive case study combining archival and interview data to study the determinants of the international diffusion of a controversial practice at a global scale, the contestation, and finally the deinstitutionalization process that resulted from the ban of the practice. We find...... that the opacity of the practice can be a diffusion driver, locally and at the international level, nevertheless the opacity also may lead to different meaning creation attempts and potential discursive battles between actors, and eventually to deinstitutionalization of the practice. This article advances our...

Monitoring the development and diffusion of EHR systems in Denmark

DEFF Research Database (Denmark)

Nøhr, Christian; Andersen, Stig Kjær; Vingtoft, Søren

2003-01-01

The danish EHR Oberservatory has monitored Danish EHR projects for several years with respect to a number of parameters such as diffusion, diffusin rate, barriers and limitations, and experience gained. The results of the 2002 monitoring reveal that investment in IT is relatively low...

Models of diffuse solar radiation

Energy Technology Data Exchange (ETDEWEB)

Boland, John; Ridley, Barbara [Centre for Industrial and Applied Mathematics, University of South Australia, Mawson Lakes Boulevard, Mawson Lakes, SA 5095 (Australia); Brown, Bruce [Department of Statistics and Applied Probability, National University of Singapore, Singapore 117546 (Singapore)

2008-04-15

For some locations both global and diffuse solar radiation are measured. However, for many locations, only global is measured, or inferred from satellite data. For modelling solar energy applications, the amount of radiation on a tilted surface is needed. Since only the direct component on a tilted surface can be calculated from trigonometry, we need to have diffuse on the horizontal available. There are regression relationships for estimating the diffuse on a tilted surface from diffuse on the horizontal. Models for estimating the diffuse radiation on the horizontal from horizontal global that have been developed in Europe or North America have proved to be inadequate for Australia [Spencer JW. A comparison of methods for estimating hourly diffuse solar radiation from global solar radiation. Sol Energy 1982; 29(1): 19-32]. Boland et al. [Modelling the diffuse fraction of global solar radiation on a horizontal surface. Environmetrics 2001; 12: 103-16] developed a validated model for Australian conditions. We detail our recent advances in developing the theoretical framework for the approach reported therein, particularly the use of the logistic function instead of piecewise linear or simple nonlinear functions. Additionally, we have also constructed a method, using quadratic programming, for identifying values that are likely to be erroneous. This allows us to eliminate outliers in diffuse radiation values, the data most prone to errors in measurement. (author)

A desk study of surface diffusion and mass transport in clay

International Nuclear Information System (INIS)

Cook, A.J.

1988-09-01

The concept of a geological barrier to radionuclide migration from theoretical radioactive waste repositories has drawn attention to the physico-chemical properties of clays, which are traditionally regarded as retarding media. This report addresses the different mechanisms of transport of radionuclides through clay and in particular focuses on the surface diffusion movement of sorbed cations. The relative contributory importance of the different transport mechanisms is governed by the pore size distributions and interconnections within the clay fabric. Surface diffusion data in the literature have been from experiments using compacted montmorillonite and biotite gneiss. A possible programme of laboratory work is outlined, based on diffusion experiments, which describes the way of measuring the effect of surface diffusion more accurately in clays, mudstones and shales. (author)

Diffusion of hydrogen into and through γ-iron by density functional theory

Science.gov (United States)

Chohan, Urslaan K.; Koehler, Sven P. K.; Jimenez-Melero, Enrique

2018-06-01

This study is concerned with the early stages of hydrogen embrittlement on an atomistic scale. We employed density functional theory to investigate hydrogen diffusion through the (100), (110) and (111) surfaces of γ-Fe. The preferred adsorption sites and respective energies for hydrogen adsorption were established for each plane, as well as a minimum energy pathway for diffusion. The H atoms adsorb on the (100), (110) and (111) surfaces with energies of ∼4.06 eV, ∼3.92 eV and ∼4.05 eV, respectively. The barriers for bulk-like diffusion for the (100), (110) and (111) surfaces are ∼0.6 eV, ∼0.5 eV and ∼0.7 eV, respectively. We compared these calculated barriers with previously obtained experimental data in an Arrhenius plot, which indicates good agreement between experimentally measured and theoretically predicted activation energies. Texturing austenitic steels such that the (111) surfaces of grains are preferentially exposed at the cleavage planes may be a possibility to reduce hydrogen embrittlement.

Non-moving Hadamard matrix diffusers for speckle reduction in laser pico-projectors

Science.gov (United States)

Thomas, Weston; Middlebrook, Christopher

2014-12-01

Personal electronic devices such as cell phones and tablets continue to decrease in size while the number of features and add-ons keep increasing. One particular feature of great interest is an integrated projector system. Laser pico-projectors have been considered, but the technology has not been developed enough to warrant integration. With new advancements in diode technology and MEMS devices, laser-based projection is currently being advanced for pico-projectors. A primary problem encountered when using a pico-projector is coherent interference known as speckle. Laser speckle can lead to eye irritation and headaches after prolonged viewing. Diffractive optical elements known as diffusers have been examined as a means to lower speckle contrast. This paper presents a binary diffuser known as a Hadamard matrix diffuser. Using two static in-line Hadamard diffusers eliminates the need for rotation or vibration of the diffuser for temporal averaging. Two Hadamard diffusers were fabricated and contrast values measured showing good agreement with theory and simulated values.

Positron annihilation lifetime spectroscopy (PALS) application in metal barrier layer integrity for porous low- k materials

CERN Document Server

Simon, Lin; Gidley, D W; Wetzel, J T; Monnig, K A; Ryan, E T; Simon, Jang; Douglas, Yu; Liang, M S; En, W G; Jones, E C; Sturm, J C; Chan, M J; Tiwari, S C; Hirose, M

2002-01-01

Positron Annihilation Lifetime Spectroscopy (PALS) is a useful tool to pre-screen metal barrier integrity for Si-based porous low-k dielectrics. Pore size of low-k, thickness of metal barrier Ta, positronium (Ps) leakage from PALS, trench sidewall morphology, electrical test from one level metal (1LM) pattern wafer and Cu diffusion analysis were all correlated. Macro-porous low-k (pore size >=200 AA) and large scale meso-porous low-k (>50~200 AA) encounter both Ps leakage and Cu diffusion into low-k dielectric in the 0.25 mu mL/0.3 mu mS structures when using SEMATECH in-house PVD Ta 250 AA as barrier layer. For small scale meso-porous (>20~50 AA) and micro- porous (<=20 AA) low-k, no Ps leakage and no Cu diffusion into low-k were observed even with PVD Ta 50 AA, which is proved also owing to sidewall densification to seal all sidewall pores due to plasma etch and ash. For future technology, smaller pore size of porous Si-based low-k (=<50 AA) will be preferential for dense low-k like trench sidewall to...

Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

Energy Technology Data Exchange (ETDEWEB)

Cai, Danyun; Mo, Yunjie [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou, 510275 (China); Feng, Xiaofang [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou, 510275 (China); He, Yingyou [State Key Laboratory of Optoelectronic Materials and Technologies, School of Electronics and Information Technology, Sun Yat-sen University, Guangzhou, 510275 (China); Jiang, Shaoji, E-mail: stsjsj@mail.sysu.edu.cn [State Key Laboratory of Optoelectronic Materials and Technologies, School of Physics, Sun Yat-sen University, Guangzhou, 510275 (China)

2017-06-01

Highlights: • The model of combinations of nearest-neighbor atoms of adatom was built to calculate the diffusion barrier of every configuration for Ag/Ag(001). • The complete potential energy curve of a specific diffusion path on the surface was worked out with the help of elementary diffusion behaviors. • The non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) was demonstrated. • A theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature was presented. - Abstract: In this study, a model based on the First Principles calculations and Kinetic Monte Carlo simulation were established to study the growth characteristic of Ag thin film at low substrate temperature. On the basis of the interaction between the adatom and nearest-neighbor atoms, some simplifications and assumptions were made to categorize the diffusion behaviors of Ag adatoms on Ag(001). Then the barriers of all possible diffusion behaviors were calculated using the Climbing Image Nudged Elastic Band method (CI-NEB). Based on the Arrhenius formula, the morphology variation, which is attributed to the surface diffusion behaviors during the growth, was simulated with a temperature-dependent KMC model. With this model, a non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) were discovered. The analysis of the temperature dependence on diffusion behaviors presents a theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature.

Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

International Nuclear Information System (INIS)

Cai, Danyun; Mo, Yunjie; Feng, Xiaofang; He, Yingyou; Jiang, Shaoji

2017-01-01

Highlights: • The model of combinations of nearest-neighbor atoms of adatom was built to calculate the diffusion barrier of every configuration for Ag/Ag(001). • The complete potential energy curve of a specific diffusion path on the surface was worked out with the help of elementary diffusion behaviors. • The non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) was demonstrated. • A theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature was presented. - Abstract: In this study, a model based on the First Principles calculations and Kinetic Monte Carlo simulation were established to study the growth characteristic of Ag thin film at low substrate temperature. On the basis of the interaction between the adatom and nearest-neighbor atoms, some simplifications and assumptions were made to categorize the diffusion behaviors of Ag adatoms on Ag(001). Then the barriers of all possible diffusion behaviors were calculated using the Climbing Image Nudged Elastic Band method (CI-NEB). Based on the Arrhenius formula, the morphology variation, which is attributed to the surface diffusion behaviors during the growth, was simulated with a temperature-dependent KMC model. With this model, a non-monotonic relation between the surface roughness and the substrate temperature (decreasing from 300 K to 100 K) were discovered. The analysis of the temperature dependence on diffusion behaviors presents a theoretical explanation of diffusion mechanism for the non-monotonic variation of roughness at low substrate temperature.

Oceanic diffusion in the coastal area

International Nuclear Information System (INIS)

Rukuda, Masaaki

1980-03-01

Described in this paper is the eddy diffusion in the area off Tokai Village investigated by means of dye diffusion experiment and of oceanic observation. In order to assess the oceanic diffusion in coastal areas, improved methods effective in complex field were developed. The oceanic diffusion was separated in two groups, horizontal and vertical diffusion respectively. Both these diffusions are combined and their analysis together is difficult. The oceanic diffusion is thus considered separately. Instantaneous point release is the basis of horizontal diffusion analysis. Continuous release is then the overlap of numerous instantaneous releases. It was shown that the diffusion parameters derived from the results of diffusion experiment or oceanic observation vary widely with time and place and with sea conditions. A simple diffusion equation was developed from the equation of continuity. The results were in good agreement with seasonal mean horizontal distribution of river water in the sea area. The vertical observation in diffusion experiment is difficult and the vertical structure of oceanic condition is complex, so that the research on vertical diffusion generally is not advanced yet. With river water as the tracer, a method of estimating vertical diffusion parameters with a Gaussian model or one-dimensional model was developed. The vertical diffusion near sea bottom was numerically analized with suspended particles in seawater as the tracer. Diffusion was computed for each particle size, and by summing up the vertical distribution of beam attenuation coefficient was estimated. By comparing the results of estimation and those of observation the vertical diffusivity and the particle size distribution at sea bottom could be estimated. (author)

Diffusion of anthracene derivatives on Cu(111) studied by STM and DFT

Science.gov (United States)

Wyrick, Jonathan; Bartels, Ludwig; Einstein, Theodore

2014-03-01

Substituted anthracenes have drawn attention due to their ability to diffuse uniaxially on a Cu(111) surface. We compare anthracene to three of its derivatives whose 9,10 hydrogens are replaced by elements of the chalcogen group that act as linkers binding the molecules to a Cu(111) substrate. DFT calculations shed light on STM imaging and diffusion studies on the three substituted species. We present an analysis of the DFT results in which energetic contributions to the diffusion barriers are partitioned among the Kohn-Sham orbitals, allowing us to make assignments as to how each orbital affects diffusion for each species and draw comparisons between them. Present address: Center for Nanoscale Science and Technology, NIST, Gaithersburg, MD.

BARRIERS TO PHYSICAL ACTIVITY IN THE ELDERLY

Directory of Open Access Journals (Sweden)

Paulo Matias

2015-04-01

Full Text Available The population awareness of the physical exercise’s benefits is widely diffused. These benefits are particularly important in the elderly because, with increasing age, there is a decline of the musculoskeletal system and the maximum oxygen consumption which reduces the functional fitness of the elderly and can often lead to a significant decline in the quality of life. Despite this awareness, a large part of the population remains sedentary. It is important to know what the barriers are, so they can be circumvented in order to increase the engagement of the elderly population in existing physical activity programs.Objectives: This study aims to identify some of the personal, behavioral and environmental barriers that prevent older adults to be physically active.