Thin-film metallic glass: an effective diffusion barrier for Se-doped AgSbTe2 thermoelectric modules

PubMed Central

Yu, Chia-Chi; Wu, Hsin-jay; Deng, Ping-Yuan; Agne, Matthias T.; Snyder, G. Jeffrey; Chu, Jinn P.

2017-01-01

The thermal stability of joints in thermoelectric (TE) modules, which are degraded during interdiffusion between the TE material and the contacting metal, needs to be addressed in order to utilize TE technology for competitive, sustainable energy applications. Herein, we deposit a 200 nm-thick Zr-based thin-film metallic glass (TFMG), which acts as an effective diffusion barrier layer with low electrical contact resistivity, on a high-zT Se-doped AgSbTe2 substrate. The reaction couples structured with TFMG/TE are annealed at 673 K for 8–360 hours and analyzed by electron microscopy. No observable IMCs (intermetallic compounds) are formed at the TFMG/TE interface, suggesting the effective inhibition of atomic diffusion that may be attributed to the grain-boundary-free structure of TFMG. The minor amount of Se acts as a tracer species, and a homogeneous Se-rich region is found nearing the TFMG/TE interface, which guarantees satisfactory bonding at the joint. The diffusion of Se, which has the smallest atomic volume of all the elements from the TE substrate, is found to follow Fick’s second law. The calculated diffusivity (D) of Se in TFMG falls in the range of D~10−20–10−23(m2/s), which is 106~107 and 1012~1013 times smaller than those of Ni [10−14–10−17(m2/s)] and Cu [10−8–10−11(m2/s)] in Bi2Te3, respectively. PMID:28327655

A double barrier memristive device

PubMed Central

Hansen, M.; Ziegler, M.; Kolberg, L.; Soni, R.; Dirkmann, S.; Mussenbrock, T.; Kohlstedt, H.

2015-01-01

We present a quantum mechanical memristive Nb/Al/Al2O3/NbxOy/Au device which consists of an ultra-thin memristive layer (NbxOy) sandwiched between an Al2O3 tunnel barrier and a Schottky-like contact. A highly uniform current distribution for the LRS (low resistance state) and HRS (high resistance state) for areas ranging between 70 μm2 and 2300 μm2 were obtained, which indicates a non-filamentary based resistive switching mechanism. In a detailed experimental and theoretical analysis we show evidence that resistive switching originates from oxygen diffusion and modifications of the local electronic interface states within the NbxOy layer, which influences the interface properties of the Au (Schottky) contact and of the Al2O3 tunneling barrier, respectively. The presented device might offer several benefits like an intrinsic current compliance, improved retention and no need for an electric forming procedure, which is especially attractive for possible applications in highly dense random access memories or neuromorphic mixed signal circuits. PMID:26348823

Fabrication of an Aluminum Based Hot Electron Mixer for Terahertz Applications

NASA Technical Reports Server (NTRS)

Echternach, P. M.; LeDuc, H. G.; Skalare, A.; McGrath, W. R.

2000-01-01

Aluminum based diffusion cooled hot electron bolometers (HEB) mixers, predicted to have better noise, bandwidth and to require less LO power than Nb based diffusion cooled HEBs, have been fabricated. Preliminary DC tests were performed. The bolometer elements consisted of short (0.1 to 0.3 micron), narrow (0.08 to 0. 15 micron) and thin (11 nm) aluminum wires connected to large contact pads consisting of a novel trilayer Al/Ti/Au. The patterns were defined by electron beam lithography and the metal deposition involved a double angle process, the Aluminum wires being deposited straight on and the pads being deposited at a 45 degree angle without breaking vacuum. The Al/Ti/Au trilayer was developed to provide a way of making contact between the aluminum wire and the gold antenna. The Titanium layer acts as a diffusion barrier to avoid damage of the Aluminum contact and bolometer wire and to lower the transition temperature of the pads to below that of the bolometer wire. The Au layer avoids the formation of an oxide on the Ti layer and provides good electrical contact to the IF/antenna structure. The resistance of the bolometers as a function of temperature was measured. It is clear that below the transition temperature of the wire (1.8K) but above the transition temperature of the contact pads (0.6K), the proximity effect drives most of the bolometer wire normal, causing a very broad transition. This effect should not affect the performance of the bolometers since they will be operated at a temperature below the TC of the pads. This is evident from the IV characteristics measured at 0.3K. RF characterization tests will begin shortly.

Multilevel Dual Damascene copper interconnections

NASA Astrophysics Data System (ADS)

Lakshminarayanan, S.

Copper has been acknowledged as the interconnect material for future generations of ICs to overcome the bottlenecks on speed and reliability present with the current Al based wiring. A new set of challenges brought to the forefront when copper replaces aluminum, have to be met and resolved to make it a viable option. Unit step processes related to copper technology have been under development for the last few years. In this work, the application of copper as the interconnect material in multilevel structures with SiO2 as the interlevel dielectric has been explored, with emphasis on integration issues and complete process realization. Interconnect definition was achieved by the Dual Damascene approach using chemical mechanical polishing of oxide and copper. The choice of materials used as adhesion promoter/diffusion barrier included Ti, Ta and CVD TiN. Two different polish chemistries (NH4OH or HNO3 based) were used to form the interconnects. The diffusion barrier was removed during polishing (in the case of TiN) or by a post CMP etch (as with Ti or Ta). Copper surface passivation was performed using boron implantation and PECVD nitride encapsulation. The interlevel dielectric way composed of a multilayer stack of PECVD SiO2 and SixNy. A baseline process sequence which ensured the mechanical and thermal compatibility of the different unit steps was first created. A comprehensive test vehicle was designed and test structures were fabricated using the process flow developed. Suitable modifications were subsequently introduced in the sequence as and when processing problems were encountered. Electrical characterization was performed on the fabricated devices, interconnects, contacts and vias. The structures were subjected to thermal stressing to assess their stability and performance. The measurement of interconnect sheet resistances revealed lower copper loss due to dishing on samples polished using HNO3 based slurry. Interconnect resistances remained stable upto 400oC, 500oC and 600oC for Ti, TiN and Ta barriers respectively. Via resistivity on the order of 10-9/ /Omegacm2 was measured for Cu/Ta/Cu interfaces and no degradation in the via resistance was observed upto 600oC on the 2 μm and 3 μm wide contact windows. Characterization of diode leakage and subthreshold currents of CMOS transistors fabricated with Ta adhesion layers, showed the failure of the Ta barrier at 450oC. Despite the good barrier performance of the CVD TiN films, obtaining low contact resistivity may be a concern. The potential use of Cu-Mg alloy as the backend metallization has also been studied. Fully encapsulated wiring has been fabricated by causing the Mg to out- diffuse towards the Cu/SiO2 interfaces and the free copper surface. The inter-connects exhibited good stability and oxidation resistance, but via resistances were extremely high, probably due to the presence of insulating films like MgO or MgF2 at the interface between the two metal levels. It may be possible to decrease the via resistance to values comparable to Cu/Ta/Cu by altering the process flow and using a suitable via clean. When used at the contact level, undesirable interaction with the CoSi2 film was observed at temperatures as low as 350oC. Another problem was the high contact resistance at the Cu-Mg/CoSi2 interface. Hence the use of this alloy as a contact fill material is not feasible at this time. An additional barrier layer may be required between the Cu-Mg and CoSi2 films to protect the integrity of the silicide and provide low contact resistance.

Probabilistic migration modelling focused on functional barrier efficiency and low migration concepts in support of risk assessment.

PubMed

Brandsch, Rainer

2017-10-01

Migration modelling provides reliable migration estimates from food-contact materials (FCM) to food or food simulants based on mass-transfer parameters like diffusion and partition coefficients related to individual materials. In most cases, mass-transfer parameters are not readily available from the literature and for this reason are estimated with a given uncertainty. Historically, uncertainty was accounted for by introducing upper limit concepts first, turning out to be of limited applicability due to highly overestimated migration results. Probabilistic migration modelling gives the possibility to consider uncertainty of the mass-transfer parameters as well as other model inputs. With respect to a functional barrier, the most important parameters among others are the diffusion properties of the functional barrier and its thickness. A software tool that accepts distribution as inputs and is capable of applying Monte Carlo methods, i.e., random sampling from the input distributions of the relevant parameters (i.e., diffusion coefficient and layer thickness), predicts migration results with related uncertainty and confidence intervals. The capabilities of probabilistic migration modelling are presented in the view of three case studies (1) sensitivity analysis, (2) functional barrier efficiency and (3) validation by experimental testing. Based on the predicted migration by probabilistic migration modelling and related exposure estimates, safety evaluation of new materials in the context of existing or new packaging concepts is possible. Identifying associated migration risk and potential safety concerns in the early stage of packaging development is possible. Furthermore, dedicated material selection exhibiting required functional barrier efficiency under application conditions becomes feasible. Validation of the migration risk assessment by probabilistic migration modelling through a minimum of dedicated experimental testing is strongly recommended.

Low-Resistance Spin Injection into Silicon Using Graphene Tunnel Barriers

DTIC Science & Technology

2012-11-01

compromise spin injection/transport/detection. Ferromagnetic metals readily form silicides even at room tempera- ture19, and diffusion of the ferromagnetic... metal /tunnel barrier/Si contacts using 2 nm SiO2 (triangles), 1.5 nm Al2O3 (diamond) and monolayer graphene (circles) tunnel barriers prepared from...and B. T. Jonker* Spin manipulation in a semiconductor offers a new paradigm for device operation beyond Moore’s law. Ferromagnetic metals are ideal

A base-metal conductor system for silicon solar cells

NASA Technical Reports Server (NTRS)

Coleman, M. G.; Pryor, R. A.; Sparks, T. G.

1980-01-01

Solder, copper, and silver are evaluated as conductor layer metals for silicon solar cell metallization on the basis of metal price stability and reliability under operating conditions. Due to its properties and cost, copper becomes an attractive candidate for the conductor layer. It is shown that nickel operates as an excellent diffusion barrier between copper and silicon while simultaneously serving as an electrical contact and mechanical contact to silicon. The nickel-copper system may be applied to the silicon by plating techniques utilizing a variety of plating bath compositions. Solar cells having excellent current-voltage characteristics are fabricated to demonstrate the nickel-copper metallization system.

Physical aspects of colossal dielectric constant material CaCu3Ti4O12 thin films

NASA Astrophysics Data System (ADS)

Deng, Guochu; He, Zhangbin; Muralt, Paul

2009-04-01

The underlying physical mechanism of the so-called colossal dielectric constant phenomenon in CaCu3Ti4O12 (CCTO) thin films were investigated by using semiconductor theories and methods. The semiconductivity of CCTO thin films originated from the acceptor defect at a level ˜90 meV higher than valence band. Two contact types, metal-semiconductor and metal-insulator-semiconductor junctions, were observed and their barrier heights, and impurity concentrations were theoretically calculated. Accordingly, the Schottky barrier height of metal-semiconductor contact is about 0.8 eV, and the diffusion barrier height of metal-insulator-semiconductor contact is about 0.4-0.7 eV. The defect concentrations of both samples are quite similar, of the magnitude of 1019 cm-3, indicating an inherent feature of high defect concentration.

A graphene solution to conductivity mismatch: spin injection from ferromagnetic metal/graphene tunnel contacts into silicon

NASA Astrophysics Data System (ADS)

van't Erve, Olaf

2014-03-01

New paradigms for spin-based devices, such as spin-FETs and reconfigurable logic, have been proposed and modeled. These devices rely on electron spin being injected, transported, manipulated and detected in a semiconductor channel. This work is the first demonstration on how a single layer of graphene can be used as a low resistance tunnel barrier solution for electrical spin injection into Silicon at room temperature. We will show that a FM metal / monolayer graphene contact serves as a spin-polarized tunnel barrier which successfully circumvents the classic metal / semiconductor conductivity mismatch issue for electrical spin injection. We demonstrate electrical injection and detection of spin accumulation in Si above room temperature, and show that the corresponding spin lifetimes correlate with the Si carrier concentration, confirming that the spin accumulation measured occurs in the Si and not in interface trap states. An ideal tunnel barrier should exhibit several key material characteristics: a uniform and planar habit with well-controlled thickness, minimal defect / trapped charge density, a low resistance-area product for minimal power consumption, and compatibility with both the FM metal and semiconductor, insuring minimal diffusion to/from the surrounding materials at temperatures required for device processing. Graphene, offers all of the above, while preserving spin injection properties, making it a compelling solution to the conductivity mismatch for spin injection into Si. Although Graphene is very conductive in plane, it exhibits poor conductivity perpendicular to the plane. Its sp2 bonding results in a highly uniform, defect free layer, which is chemically inert, thermally robust, and essentially impervious to diffusion. The use of a single monolayer of graphene at the Si interface provides a much lower RA product than any film of an oxide thick enough to prevent pinholes (1 nm). Our results identify a new route to low resistance-area product spin-polarized contacts, a crucial requirement enabling future semiconductor spintronic devices, which rely upon two-terminal magnetoresistance, including spin-based transistors, logic and memory.

In vitro drug release and in vivo safety of vitamin E and cysteamine loaded contact lenses.

PubMed

Dixon, Phillip; Fentzke, Richard C; Bhattacharya, Arnab; Konar, Aditya; Hazra, Sarbani; Chauhan, Anuj

2018-06-15

Cystinosis is an orphan disease caused by a genetic mutation that leads to deposition of cystine crystals in many organs including cornea. Ophthalmic manifestation of the disease can be treated with hourly instillation of cysteamine eye drops. The hourly eye drop instillation is tedious to the patients leading to poor compliance and additionally, significant degradation of the drug occurs within one week of opening the bottle, which further complicates this delivery approach. This paper focuses on designing a contact lens to treat the disease with improved efficacy compared to eye drops, and also exploring safety of the drug eluding contact lens in an animal model. Our goal is to design a lens that is safe and that can deliver a daily therapeutic dose of cysteamine to the cornea while retaining drug stability. We show that cysteamine diffuses out rapidly from all lenses due to its small size. Vitamin E incorporation increases the release duration of both ACUVUE ® OASYS ® and ACUVUE ® TruEye TM but the effect is more pronounced in TruEye TM likely due to the low solubility of vitamin E in the lens matrix and higher aspect ratio of the barriers. The barriers are not effective in hydrogel lenses, which along with the high aspect ratio in silicone hydrogels suggests that barriers could be forming at the interface of the silicone and hydrogel phases. The presence of vitamin E has an additional beneficial effect of reduction in the oxidation rates, likely due to a transport barrier between the oxygen diffusing through the silicone channels and drug located in the hydrogel phase. Based on this study, both Acuvue ® OASYS ® and ACUVUE ® TruEye TM can be loaded with vitamin E to design a cysteamine eluting contact lenses for effective therapy of cystinosis. The lenses must be worn for about 4-5 hr. each day, which is less than the typical duration of daily-wear. The vitamin E and cysteamine loaded lenses did not exhibit any toxicity in a rabbit model over a period of 7-days. Copyright © 2017 Elsevier B.V. All rights reserved.

Study of nickel silicide formation by physical vapor deposition techniques

NASA Astrophysics Data System (ADS)

Pancharatnam, Shanti

Metal silicides are used as contacts to the highly n-doped emitter in photovoltaic devices. Thin films of nickel silicide (NiSi) are of particular interest for Si-based solar cells, as they form at lower temperature and consume less silicon. However, interfacial oxide limits the reduction in sheet resistance. Hence, different diffusion barriers were investigated with regard to optimizing the conductivity and thermal stability. The formation of NiSi, and if it can be doped to have good contact with the n-side of a p-n junction were studied. Reduction of the interfacial oxide by the interfacial Ti layer to allow the formation of NiSi was observed. Silicon was treated in dilute hydrofluoric acid for removing the surface oxide layer. Ni and a Ti diffusion barrier were deposited on Si by physical vapor deposition (PVD) methods - electron beam evaporation and sputtering. The annealing temperature and time were varied to observe the stability of the deposited film. The films were then etched to observe the retention of the silicide. Characterization was done using scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and Rutherford back scattering (RBS). Sheet resistance was measured using the four-point probe technique. Annealing temperatures from 300°C showed films began to agglomerate indicating some diffusion between Ni and Si in the Ti layer, also supported by the compositional analysis in the Auger spectra. Films obtained by evaporation and sputtering were of high quality in terms of coverage over substrate area and uniformity. Thicknesses of Ni and Ti were optimized to 20 nm and 10 nm respectively. Resistivity was low at these thicknesses, and reduced by about half post annealing at 300°C for 8 hours. Thus a low resistivity contact was obtained at optimized thicknesses of the metal layers. It was also shown that some silicide formation occurs at temperatures starting from 300°C and can thus be used to make good silicide contacts.

Enhancement of tunneling magnetoresistance by inserting a diffusion barrier in L10-FePd perpendicular magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Zhang, De-Lin; Schliep, Karl B.; Wu, Ryan J.; Quarterman, P.; Reifsnyder Hickey, Danielle; Lv, Yang; Chao, Xiaohui; Li, Hongshi; Chen, Jun-Yang; Zhao, Zhengyang; Jamali, Mahdi; Mkhoyan, K. Andre; Wang, Jian-Ping

2018-04-01

We studied the tunnel magnetoresistance (TMR) of L10-FePd perpendicular magnetic tunnel junctions (p-MTJs) with an FePd free layer and an inserted diffusion barrier. The diffusion barriers studied here (Ta and W) were shown to enhance the TMR ratio of the p-MTJs formed using high-temperature annealing, which are necessary for the formation of high quality L10-FePd films and MgO barriers. The L10-FePd p-MTJ stack was developed with an FePd free layer with a stack of FePd/X/Co20Fe60B20, where X is the diffusion barrier, and patterned into micron-sized MTJ pillars. The addition of the diffusion barrier was found to greatly enhance the magneto-transport behavior of the L10-FePd p-MTJ pillars such that those without a diffusion barrier exhibited negligible TMR ratios (<1.0%), whereas those with a Ta (W) diffusion barrier exhibited TMR ratios of 8.0% (7.0%) at room temperature and 35.0% (46.0%) at 10 K after post-annealing at 350 °C. These results indicate that diffusion barriers could play a crucial role in realizing high TMR ratios in bulk p-MTJs such as those based on FePd and Mn-based perpendicular magnetic anisotropy materials for spintronic applications.

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

PubMed

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.

Water barrier properties of starch films reinforced with cellulose nanocrystals obtained from sugarcane bagasse.

PubMed

Slavutsky, Aníbal M; Bertuzzi, María A

2014-09-22

Water transport in edible films based on hydrophilic materials such as starch, is a complex phenomenon due to the strong interaction of sorbed water molecules with the polymeric structure. Cellulose nanocrystals (CNC) were obtained from sugarcane bagasse. Starch and starch/CNC films were formulated and their water barrier properties were studied. The measured film solubility, contact angle, and water sorption isotherm indicated that reinforced starch/CNC films have a lower affinity to water molecules than starch films. The effects that the driving force and the water activity (aw) values at each side of the film have on permeability were analyzed. Permeability, diffusivity, and solubility coefficients indicated that the permeation process depends mostly on the tortuous pathway formed by the incorporation of CNC and therefore were mainly controlled by water diffusion. The interaction between CNC and starch chain is favoured by the chemical similarities of both molecules. Copyright © 2014 Elsevier Ltd. All rights reserved.

Comparison of Ti/Pd/Ag, Pd/Ti/Pd/Ag and Pd/Ge/Ti/Pd/Ag contacts to n-type GaAs for electronic devices handling high current densities

NASA Astrophysics Data System (ADS)

Huo, Pengyun; Galiana, Beatriz; Rey-Stolle, Ignacio

2017-04-01

In the quest for metal contacts for electronic devices handling high current densities, we report the results of Pd/Ti/Pd/Ag and Pd/Ge/Ti/Pd/Ag contacts to n-GaAs and compare them to Ti/Pd/Ag and AuGe/Ni/Au. These metal systems have been designed with the goal of producing an electrical contact with (a) low metal-semiconductor specific contact resistance, (b) very high sheet conductance, (c) good bondability, (d) long-term durability and (e) cost-effectiveness. The structure of the contacts consists of an interfacial layer (either Pd or Pd/Ge) intended to produce a low metal-semiconductor specific contact resistance; a diffusion barrier (Ti/Pd) and a thick top layer of Ag to provide the desired high sheet conductance, limited cost and good bondability. The results show that both systems can achieve very low metal resistivity (ρ M ˜ 2 × 10-6 Ω cm), reaching values close to that of pure bulk silver. This fact is attributed to the Ti/Pd bilayer acting as an efficient diffusion barrier, and thus the metal sheet resistance can be controlled by the thickness of the deposited silver layer. Moreover, the use of Pd as interfacial layer produces contacts with moderate specific contact resistance (ρ C ˜ 10-4 Ω cm2) whilst the use of Pd/Ge decreases the specific contact resistance to ρ C ˜ 1.5 × 10-7 Ω cm2, as a result of the formation of a Pd4(GaAs, Ge2) compound at the GaAs interface.

Visualizing Molecular Diffusion through Passive Permeability Barriers in Cells: Conventional and Novel Approaches

PubMed Central

Lin, Yu-Chun; Phua, Siew Cheng; Lin, Benjamin; Inoue, Takanari

2013-01-01

Diffusion barriers are universal solutions for cells to achieve distinct organizations, compositions, and activities within a limited space. The influence of diffusion barriers on the spatiotemporal dynamics of signaling molecules often determines cellular physiology and functions. Over the years, the passive permeability barriers in various subcellular locales have been characterized using elaborate analytical techniques. In this review, we will summarize the current state of knowledge on the various passive permeability barriers present in mammalian cells. We will conclude with a description of several conventional techniques and one new approach based on chemically-inducible diffusion trap (C-IDT) for probing permeable barriers. PMID:23731778

Controllable Electrical Contact Resistance between Cu and Oriented-Bi2Te3 Film via Interface Tuning.

PubMed

Kong, Xixia; Zhu, Wei; Cao, Lili; Peng, Yuncheng; Shen, Shengfei; Deng, Yuan

2017-08-02

The contact resistance between metals and semiconductors has become critical for the design of thin-film thermoelectric devices with their continuous miniaturization. Herein, we report a novel interface tuning method to regulate the contact resistance at the Bi 2 Te 3 -Cu interface, and three Bi 2 Te 3 films with different oriented microstructures are obtained. The lowest contact resistivity (∼10 -7 Ω cm 2 ) is observed between highly (00l) oriented Bi 2 Te 3 and Cu film, nearly an order of magnitude lower than other orientations. This significant decrease of contact resistivity is attributed to the denser film connections, lower lattice misfit, larger effective conducting contact area, and smaller width of the surface depletion region. Meanwhile, our results show that the reduction of contact resistance has little dependence on the interfacial diffusion based on the little change in contact resistivity after the introduction of an effective Ti barrier layer. Our work provides a new idea for the mitigation of contact resistivity in thin-film thermoelectric devices and also gives certain guidance for the size design of the next-level miniaturized devices.

Evaluation of cytotoxic effects of six self-etching adhesives with direct and indirect contact tests.

PubMed

Kusdemir, Mahmut; Gunal, Solen; Ozer, Fusun; Imazato, Satoshi; Izutani, Naomi; Ebisu, Shigeyuki; Blatz, Markus B

2011-01-01

This study evaluated the cytotoxicity of self-etching primers/adhesives by direct contact and dentin barrier tests. The three two-step self-etching systems Clearfil SE Bond (CSE), Clearfil Protect Bond (CPB), Prime&Bond NT/NRC (PB) and one-step self-etching systems Reactmer Bond (RB), Clearfil Tri-S Bond (CTS), and Adper Prompt L-Pop (AP) were examined. In direct contact tests, L929 cells were cultured in the presence of diluted solutions (50, 20, 10, and 1%) of primer/conditioner of adhesive systems. For dentin barrier tests, each system was applied onto 0.5 or 1.5 mm thick human dentin assembled in a simple pulp chamber device and incubated for 24 h at 37°C to make the diffusive components contact the L929 cells placed at the bottom of the chamber. The cytotoxic effects were assessed by MTT assay. Cell culture without application of any primers/adhesives served as the control for both tests. One-way ANOVA and Tukey HSD tests were used for statistical analyses. The direct contact tests demonstrated that CSE and CPB were less toxic than the other materials at all dilutions. In the dentin barrier tests, toxic effects of materials were reduced with an increase in thickness of intervening dentin. CSE and CPB showed less cytotoxicity than the other adhesives (p<0.05) when applied to 0.5 mm-thick dentin, and CSE was the least toxic in the 1.5 mm-dentin group (p<0.05). Dentin thickness positively affected biocompatibility of the tested bonding systems. Two-step self-etching systems with HEMA-based primers were more biocompatible than other self-etching adhesives.

Visualizing molecular diffusion through passive permeability barriers in cells: conventional and novel approaches.

PubMed

Lin, Yu-Chun; Phua, Siew Cheng; Lin, Benjamin; Inoue, Takanari

2013-08-01

Diffusion barriers are universal solutions for cells to achieve distinct organizations, compositions, and activities within a limited space. The influence of diffusion barriers on the spatiotemporal dynamics of signaling molecules often determines cellular physiology and functions. Over the years, the passive permeability barriers in various subcellular locales have been characterized using elaborate analytical techniques. In this review, we will summarize the current state of knowledge on the various passive permeability barriers present in mammalian cells. We will conclude with a description of several conventional techniques and one new approach based on chemically inducible diffusion trap (CIDT) for probing permeable barriers. Copyright © 2013 Elsevier Ltd. All rights reserved.

Temperature Dependence of Diffusion and Reaction at a Pd/SiC Contact

NASA Technical Reports Server (NTRS)

Shi, D.T.; Lu, W. J.; Bryant, E.; Elshot, K.; Lafate, K.; Chen, H.; Burger, A.; Collins, W. E.

1998-01-01

Schottky diodes of Palladium/SiC are good candidates for hydrogen and hydrocarbon gas sensors at elevated temperature. The detection sensibility of the diodes has been found heavily temperature dependent. In this work, emphasis has been put on the understanding of changes of physical and chemical properties of the Schottky diodes with variation of temperature. Schottky diodes were made by depositing ultra-thin palladium films onto silicon carbide substrates. The electrical and chemical properties of Pd/SiC Schottky contacts were studied by XPS and AES at different annealing temperatures. No significant change in the Schottky barrier height of the Pd/SiC contact was found in the temperature range of RT-400 C. However, both palladium diffused into SiC and silicon migrated into palladium thin film as well as onto surface were observed at room temperature. The formation of palladium compounds at the Pd/SiC interface was also observed. Both diffusion and reaction at the Pd/SiC interface became significant at 300 C and higher temperature. In addition, silicon oxide was found also at the interface of the Pd/SiC contact at high temperature. In this report, the mechanism of diffusion and reaction at the Pd/SiC interface will be discussed along with experimental approaches.

Reactivity and oxygen diffusion property of resistive barriers for Bi-2223/Ag tapes

NASA Astrophysics Data System (ADS)

Kováč, P.; Hušek, I.

2002-12-01

Reactivity of several oxide materials (OM) with BSCCO powder and oxygen diffusion through OM layer has been tested at temperature ≈840 °C in air. The OM (e.g.: BaZrO 3, SrCO 3, MgO and ZrO 2) showing the low or no reactivity with BSCCO have been mixed (10 wt.%) with precursor powder and used for single-core tapes. Bi-2223/Ag/OM/Ag single-core tapes with oxide barriers made of BaZrO 3, SrCO 3, ZrO 2 and Al 2O 3 have been also prepared by a standard powder-in-tube technique. The used OM in the direct contact with BSCCO influences the electrical properties of Bi-2223 phase differently. These is because the oxides react with BSCCO during the heat treatment and simultaneously affect the 2212→2223 phase transformation, the Bi-2223 grain growth and so also grain connectivity. SrCO 3 powder has been evaluated as the best material from the point of no destructive effect on 2223 phase transport current property. The oxide barrier controls the oxygen diffusion during the tape heat treatment and simultaneously the HTS phase formation kinetics, its purity and content within the superconducting core. For single-core Bi-2223/Ag/OM/Ag tapes, the highest current density was measured for Al 2O 3 due to only slightly reduced oxygen diffusion through the barrier.

Performance of two differently designed permeable reactive barriers with sulfate and zinc solutions.

PubMed

Pérez, Norma; Schwarz, Alex O; Barahona, Esteban; Sanhueza, Pamela; Diaz, Isabel; Urrutia, Homero

2018-06-18

For the first time, this laboratory-scale study evaluates the feasibility of incorporating diffusive exchange in permeable reactive barriers. In order to do this, the performance of two permeable reactive barriers (PRB) with different internal substrate arrangements were compared during the administration of a sulfate solution without metals (for 163 days) and with metals (for 60 days), simulating groundwater contaminated with acid mine drainage (AMD). In order to simulate a traditional PRB, a homogeneous distribution was implemented in the first reactor and the other PRB reactor utilized diffusion-active technology (DAPRB). In the DAPRB, the distribution of the reactive material was interspersed with the conductive material. The measurements in the internal ports showed that transverse gradients of sulfide formed in the DAPRB, causing the diffusion of sulfide from the substrate toward the layer interface, which is where the sulfide reacts by forming complexes with the metal. The DAPRB prevents the microorganisms from direct contact with AMD. This protection caused greater activity (sulfide production). Copyright © 2018 Elsevier B.V. All rights reserved.

Intrinsic delay of permeable base transistor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Wenchao; Guo, Jing; So, Franky

2014-07-28

Permeable base transistors (PBTs) fabricated by vacuum deposition or solution process have the advantages of easy fabrication and low power operation and are a promising device structure for flexible electronics. Intrinsic delay of PBT, which characterizes the speed of the transistor, is investigated by solving the three-dimensional Poisson equation and drift-diffusion equation self-consistently using finite element method. Decreasing the emitter thickness lowers the intrinsic delay by improving on-current, and a thinner base is also preferred for low intrinsic delay because of fewer carriers in the base region at off-state. The intrinsic delay exponentially decreases as the emitter contact Schottky barriermore » height decreases, and it linearly depends on the carrier mobility. With an optimized emitter contact barrier height and device geometry, a sub-nano-second intrinsic delay can be achieved with a carrier mobility of ∼10 cm{sup 2}/V/s obtainable in solution processed indium gallium zinc oxide, which indicates the potential of solution processed PBTs for GHz operations.« less

Elimination of resistive losses in large-area LEDs by new diffusion-driven devices

NASA Astrophysics Data System (ADS)

Kivisaari, Pyry; Kim, Iurii; Suihkonen, Sami; Oksanen, Jani

2017-02-01

High-power operation of conventional GaN-based light-emitting diodes (LEDs) is severely limited by current crowding, which increases the bias voltage of the LED, concentrates light emission close to the p-type contact edge, and aggravates the efficiency droop. Fabricating LEDs on thick n-GaN substrates alleviates current crowding but requires the use of expensive bulk GaN substrates and fairly large n-contacts, which take away a large part of the active region (AR). In this work, we demonstrate through comparative simulations how the recently introduced diffusion-driven charge transport (DDCT) concept can be used to realize lateral heterojunction (LHJ) structures, which eliminate most of the lateral current crowding. Specifically in this work, we analyze how using a single-side graded AR can both facilitate electron and hole diffusion in DDCT and increase the effective AR thickness. Our simulations show that the increased effective AR thickness allows a substantial reduction in the efficiency droop at large currents, and that unlike conventional 2D LEDs, the LHJ structure shows practically no added efficiency loss or differential resistance due to current crowding. Furthermore, as both electrons and holes enter the AR from the same side without any notable potential barriers in the LHJ structure, the LHJ structure shows an additional wall-plug efficiency gain over the conventional structures under comparison. This injection from the same side is expected to be even more interesting in multiple quantum well structures, where carriers typically need to surpass several potential barriers in conventional LEDs before recombining. In addition to simulations, we also demonstrate selective-area growth of a finger structure suitable for operation as an LHJ device with 2µm distance between n- and p-GaN regions.

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, A.R.

1984-02-21

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon, which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPB for each wavelength. A probe electrode immersed in an electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 voltsmore » couples the SPV to a measurement system. The redox couple solution functions to create a liquid Schottky barrier at the surface of the material. The Schottky barrier is contacted by merely placing the probe in the solution. The redox solution is placed over and in contact with the material to be tested and light is passed through the solution to generate the SPV. To compensate for colored redox solutions a portion of the redox solution not over the material is also illuminated for determining the color compensated light intensity. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.« less

Method and apparatus for determining minority carrier diffusion length in semiconductors

DOEpatents

Moore, Arnold R.

1984-02-21

Method and apparatus are provided for determining the diffusion length of minority carriers in semiconductor material, particularly amorphous silicon, which has a significantly small minority carrier diffusion length using the constant magnitude surface-photovoltage (SPV) method. Steady or modulated illumination at several wavelengths provides the light excitation on the surface of the material to generate the SPV. A manually controlled or automatic servo system maintains a constant predetermined value of the SPV for each wavelength. A probe electrode immersed in an electrolyte solution containing redox couples (preferably quinhydrone) having an oxidation-reduction potential (E) in the order of +0.6 to -1.65 volts couples the SPV to a measurement system. The redox couple solution functions to create a liquid Schottky barrier at the surface of the material. The Schottky barrier is contacted by merely placing the probe in the solution. The redox solution is placed over and in contact with the material to be tested and light is passed through the solution to generate the SPV. To compensate for colored redox solutions a portion of the redox solution not over the material is also illuminated for determining the color compensated light intensity. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.

Apparatus and method for stripping tritium from molten salt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holcomb, David E.; Wilson, Dane F.

A method of stripping tritium from flowing stream of molten salt includes providing a tritium-separating membrane structure having a porous support, a nanoporous structural metal-ion diffusion barrier layer, and a gas-tight, nonporous palladium-bearing separative layer, directing the flowing stream of molten salt into contact with the palladium-bearing layer so that tritium contained within the molten salt is transported through the tritium-separating membrane structure, and contacting a sweep gas with the porous support for collecting the tritium.

Approximation of effective moisture-diffusion coefficient to characterize performance of a barrier coating

NASA Astrophysics Data System (ADS)

Nagai, Shingo

2013-11-01

We report estimation of the effective diffusion coefficient of moisture through a barrier coating to develop an encapsulation technology for the thin-film electronics industry. This investigation targeted a silicon oxide (SiOx) film that was deposited on a plastic substrate by a large-process-area web coater. Using the finite difference method based on diffusion theory, our estimation of the effective diffusion coefficient of a SiOx film corresponded to that of bulk glass that was previously reported. This result suggested that the low diffusivities of barrier films can be obtained on a mass-production level in the factory. In this investigation, experimental observations and mathematical confirmation revealed the limit of the water vapor transmission rate on the single barrier coating.

Optimization of the short-circuit current in an InP nanowire array solar cell through opto-electronic modeling.

PubMed

Chen, Yang; Kivisaari, Pyry; Pistol, Mats-Erik; Anttu, Nicklas

2016-09-23

InP nanowire arrays with axial p-i-n junctions are promising devices for next-generation photovoltaics, with a demonstrated efficiency of 13.8%. However, the short-circuit current in such arrays does not match their absorption performance. Here, through combined optical and electrical modeling, we study how the absorption of photons and separation of the resulting photogenerated electron-hole pairs define and limit the short-circuit current in the nanowires. We identify how photogenerated minority carriers in the top n segment (i.e. holes) diffuse to the ohmic top contact where they recombine without contributing to the short-circuit current. In our modeling, such contact recombination can lead to a 60% drop in the short-circuit current. To hinder such hole diffusion, we include a gradient doping profile in the n segment to create a front surface barrier. This approach leads to a modest 5% increase in the short-circuit current, limited by Auger recombination with increased doping. A more efficient approach is to switch the n segment to a material with a higher band gap, like GaP. Then, a much smaller number of holes is photogenerated in the n segment, strongly limiting the amount that can diffuse and disappear into the top contact. For a 500 nm long top segment, the GaP approach leads to a 50% higher short-circuit current than with an InP top segment. Such a long top segment could facilitate the fabrication and contacting of nanowire array solar cells. Such design schemes for managing minority carriers could open the door to higher performance in single- and multi-junction nanowire-based solar cells.

Analysis of Al diffusion processes in TiN barrier layers for the application in silicon solar cell metallization

NASA Astrophysics Data System (ADS)

Kumm, J.; Samadi, H.; Chacko, R. V.; Hartmann, P.; Wolf, A.

2016-07-01

An evaporated Al layer is known as an excellent rear metallization for highly efficient solar cells, but suffers from incompatibility with a common solder process. To enable solar cell-interconnection and module integration, in this work the Al layer is complemented with a solder stack of TiN/Ti/Ag or TiN/NiV/Ag, in which the TiN layer acts as an Al diffusion barrier. X-ray photoelectron spectroscopy measurements prove that diffusion of Al through the stack and the formation of an Al2O3 layer on the stack's surface are responsible for a loss of solderability after a strong post-metallization anneal, which is often mandatory to improve contact resistance and passivation quality. An optimization of the reactive TiN sputter process results in a densification of the TiN layer, which improves its barrier quality against Al diffusion. However, measurements with X-ray diffraction and scanning electron microscopy show that small grains with vertical grain boundaries persist, which still offer fast diffusion paths. Therefore, the concept of stuffing is introduced. By incorporating oxygen into the grain boundaries of the sputtered TiN layer, Al diffusion is strongly reduced as confirmed by secondary ion mass spectroscopy profiles. A quantitative analysis reveals a one order of magnitude lower Al diffusion coefficient for stuffed TiN layers. This metallization system maintains its solderability even after strong post-metallization annealing at 425 °C for 15 min. This paper thus presents an industrially feasible, conventionally solderable, and long-term stable metallization scheme for highly efficient silicon solar cells.

A network model of successive partitioning-limited solute diffusion through the stratum corneum.

PubMed

Schumm, Phillip; Scoglio, Caterina M; van der Merwe, Deon

2010-02-07

As the most exposed point of contact with the external environment, the skin is an important barrier to many chemical exposures, including medications, potentially toxic chemicals and cosmetics. Traditional dermal absorption models treat the stratum corneum lipids as a homogenous medium through which solutes diffuse according to Fick's first law of diffusion. This approach does not explain non-linear absorption and irregular distribution patterns within the stratum corneum lipids as observed in experimental data. A network model, based on successive partitioning-limited solute diffusion through the stratum corneum, where the lipid structure is represented by a large, sparse, and regular network where nodes have variable characteristics, offers an alternative, efficient, and flexible approach to dermal absorption modeling that simulates non-linear absorption data patterns. Four model versions are presented: two linear models, which have unlimited node capacities, and two non-linear models, which have limited node capacities. The non-linear model outputs produce absorption to dose relationships that can be best characterized quantitatively by using power equations, similar to the equations used to describe non-linear experimental data.

Interfacial reactions of nano-structured Cu-doped indium oxide/indium tin oxide ohmic contacts to p-GaN.

PubMed

Yoon, Young Joon; Chae, S W; Kim, B K; Park, Min Joo; Kwak, Joon Seop

2010-05-01

Interfacial microstructure and elemental diffusion of Cu-doped indium oxide (CIO)/indium tin oxide (ITO) ohmic contacts to p-type GaN for light-emitting diodes (LEDs) were investigated using cross-sectional transmission electron microscopy (XTEM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction. The CIO/ITO contacts gave specific contact resistances of approximately 10(-4) omegacm2 and transmittance greater than 95% at a wavelength of 405 nm when annealed at 630 degrees C for 1 min in air. After annealing at 630 degrees C, multi-component oxides composed of Ga2O3-In2O3, Ga2O3-CuO, and In2O3-CuO formed at the interface between p-GaN and ITO. Formation of multi-component oxides reduced the barrier height between p-GaN and ITO due to their higher work functions than that of ITO, and caused Ga in the GaN to diffuse into the CIO/ITO layer, followed by generation of acceptor-like Ga vacancies near the GaN surface, which lowered contact resistivity of the CIO/ITO contacts to p-GaN after the annealing.

Performance of WCN diffusion barrier for Cu multilevel interconnects

NASA Astrophysics Data System (ADS)

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.

Calculations and measurements of contact resistance of semi-transparent Ni/Pd contacts to p-GaN.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Crofton, John; Bogart, Katherine Huderle Andersen

2005-06-01

Calculations of specific contact resistance as a function of doping and barrier height were performed for p-type GaN. These calculations took into account two valence bands, each with different effective masses, and show that at low doping, the heavy hole band accounts for most of the conduction, whereas at heavier doping, the light hole band dominates conduction. These calculations also indicate the barrier height for typical contacts to p-GaN is between 0.75 eV and 1 eV. Specific contact resistance measurements were made for oxidized Ni/Au, Pd, and oxidized Ni/Pd ohmic contact metal schemes to p-GaN. The Ni/Pd contact had themore » lowest specific contact resistance, 6 x 10{sup -4} {Omega} cm{sup 2}. Auger sputter depth profile analysis showed some Ni diffused away from the GaN surface to the contact surface with the bulk of the Pd located in between two areas of Ni. Both Ni and Pd interdiffused with the GaN at the semiconductor surface. The majority of the oxygen observed was with the Ni as NiO. Angle-resolved-x-ray photoelectron spectroscopy (AR-XPS) analyses showed the formation of predominantly NiO and PdO species, with higher Ni and Pd oxides at the contact surface.« less

Methods and apparatuses for reagent delivery, reactive barrier formation, and pest control

DOEpatents

Gilmore, Tyler [Pasco, WA; Kaplan, Daniel I [Aiken, SC; Last, George [Richland, WA

2002-07-09

A reagent delivery method includes positioning reagent delivery tubes in contact with soil. The tubes can include a wall that is permeable to a soil-modifying reagent. The method further includes supplying the reagent in the tubes, diffusing the reagent through the permeable wall and into the soil, and chemically modifying a selected component of the soil using the reagent. The tubes can be in subsurface contact with soil, including groundwater, and can be placed with directional drilling equipment independent of groundwater well casings. The soil-modifying reagent includes a variety of gases, liquids, colloids, and adsorbents that may be reactive or non-reactive with soil components. The method may be used inter alia to form reactive barriers, control pests, and enhance soil nutrients for microbes and plants.

How Stress Treatments Influence the Performance of Biodegradable Poly(Butylene Succinate)-Based Copolymers with Thioether Linkages for Food Packaging Applications

PubMed Central

Genovese, Laura

2017-01-01

Biodegradable poly(butylene succinate) (PBS)-based random copolymers containing thioether linkages (P(BSxTDGSy)) of various compositions have been investigated and characterized from the gas barrier, thermal, and mechanical point of view, after food contact simulants or thermal and photoaging processes. Each stress treatment was performed on thin films and the results obtained have been compared to the same untreated film, used as a standard. Barrier properties with different gases (O2 and CO2) were evaluated, showing that the polymer chemical composition strongly influenced the permeability behavior. The relationships between the diffusion coefficients (D) and solubility (S) with polymer composition were also investigated. The results highlighted a correlation between polymer chemical structure and treatment. Gas transmission rate (GTR) mainly depending on the performed treatment, as GTR increased with the increase of TDGS co-unit amount. Thermal and mechanical tests allowed for the recording of variations in the degree of crystallinity and in the tensile properties. An increase in the crystallinity degree was recorded after contact with simulant liquids and aging treatments, together with a molecular weight decrease, a slight enhancement of the elastic modulus and a decrement of the elongation at break, proportional to the TDGS co-unit content. PMID:28867806

How Stress Treatments Influence the Performance of Biodegradable Poly(Butylene Succinate)-Based Copolymers with Thioether Linkages for Food Packaging Applications.

PubMed

Siracusa, Valentina; Genovese, Laura; Munari, Andrea; Lotti, Nadia

2017-08-30

Biodegradable poly(butylene succinate) (PBS)-based random copolymers containing thioether linkages (P(BSxTDGSy)) of various compositions have been investigated and characterized from the gas barrier, thermal, and mechanical point of view, after food contact simulants or thermal and photoaging processes. Each stress treatment was performed on thin films and the results obtained have been compared to the same untreated film, used as a standard. Barrier properties with different gases (O₂ and CO₂) were evaluated, showing that the polymer chemical composition strongly influenced the permeability behavior. The relationships between the diffusion coefficients ( D ) and solubility ( S ) with polymer composition were also investigated. The results highlighted a correlation between polymer chemical structure and treatment. Gas transmission rate ( GTR ) mainly depending on the performed treatment, as GTR increased with the increase of TDGS co-unit amount. Thermal and mechanical tests allowed for the recording of variations in the degree of crystallinity and in the tensile properties. An increase in the crystallinity degree was recorded after contact with simulant liquids and aging treatments, together with a molecular weight decrease, a slight enhancement of the elastic modulus and a decrement of the elongation at break, proportional to the TDGS co-unit content.

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

NASA Technical Reports Server (NTRS)

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.

First-principles study of transition-metal nitrides as diffusion barriers against Al

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mei, Zhi-Gang; Yacout, Abdellatif M.; Kim, Yeon Soo

2016-04-01

Using density-functional theory based first-principles calculations we provided a comparative study of the diffusion barrier properties of TiN, ZrN, and HfN against Al for U-Mo dispersion fuel applications. We firstly examined the thermodynamic stability of these transition-metal nitrides with Al. The calculated heats of reaction show that both TiN and ZrN are thermodynamically unstable diffusion barrier materials, which might be decomposed by Al at relatively high temperatures. As a comparison, HfN is a stable diffusion barrier material for Al. To evaluate the kinetic stability of these nitride systems against Al diffusion, we investigated the diffusion mechanisms of Al in TiN,more » ZrN and HfN using atomic scale simulations. The effect of non-stoichiometry on the defect formation and Al migration was systematically studied. (C) 2015 ELSEVIER B.V. All rights reserved« less

Effect of contact barrier on electron transport in graphene.

PubMed

Zhou, Yang-Bo; Han, Bing-Hong; Liao, Zhi-Min; Zhao, Qing; Xu, Jun; Yu, Da-Peng

2010-01-14

The influence of the barrier between metal electrodes and graphene on the electrical properties was studied on a two-electrode device. A classical barrier model was used to analyze the current-voltage characteristics. Primary parameters including barrier height and effective resistance were achieved. The electron transport properties under magnetic field were further investigated. An abnormal peak-valley-peak shape of voltage-magnetoresistance curve was observed. The underlying mechanisms were discussed under the consideration of the important influence of the contact barrier. Our results indicate electrical properties of graphene based devices are sensitive to the contact interface.

Effect of interfacial composition on Ag-based Ohmic contact of GaN-based vertical light emitting diodes

NASA Astrophysics Data System (ADS)

Wu, Ning; Xiong, Zhihua; Qin, Zhenzhen

2018-02-01

By investigating the effect of a defective interface structure on Ag-based Ohmic contact of GaN-based vertical light-emitting diodes, we found a direct relationship between the interfacial composition and the Schottky barrier height of the Ag(111)/GaN(0001) interface. It was demonstrated that the Schottky barrier height of a defect-free Ag(111)/GaN(0001) interface was 2.221 eV, and it would be dramatically decreased to 0.375 eV with the introduction of one Ni atom and one Ga vacancy at the interface structure. It was found that the tunability of the Schottky barrier height can be attributed to charge accumulations around the interfacial defective regions and an unpinning of the Fermi level, which explains the experimental phenomenon of Ni-assisted annealing improving the p-type Ohmic contact characteristic. Lastly, we propose a new method of using Cu as an assisted metal to realize a novel Ag-based Ohmic contact. These results provide a guideline for the fabrication of high-quality Ag-based Ohmic contact of GaN-based vertical light-emitting diodes.

The Long and Viscous Road: Uncovering Nuclear Diffusion Barriers in Closed Mitosis

PubMed Central

Zavala, Eder; Marquez-Lago, Tatiana T.

2014-01-01

Diffusion barriers are effective means for constraining protein lateral exchange in cellular membranes. In Saccharomyces cerevisiae, they have been shown to sustain parental identity through asymmetric segregation of ageing factors during closed mitosis. Even though barriers have been extensively studied in the plasma membrane, their identity and organization within the nucleus remains poorly understood. Based on different lines of experimental evidence, we present a model of the composition and structural organization of a nuclear diffusion barrier during anaphase. By means of spatial stochastic simulations, we propose how specialised lipid domains, protein rings, and morphological changes of the nucleus may coordinate to restrict protein exchange between mother and daughter nuclear lobes. We explore distinct, plausible configurations of these diffusion barriers and offer testable predictions regarding their protein exclusion properties and the diffusion regimes they generate. Our model predicts that, while a specialised lipid domain and an immobile protein ring at the bud neck can compartmentalize the nucleus during early anaphase; a specialised lipid domain spanning the elongated bridge between lobes would be entirely sufficient during late anaphase. Our work shows how complex nuclear diffusion barriers in closed mitosis may arise from simple nanoscale biophysical interactions. PMID:25032937

Dielectric Barrier Discharge Plasma-Induced Photocatalysis and Ozonation for the Treatment of Wastewater

NASA Astrophysics Data System (ADS)

Mok, Young Sun; Jo, Jin-Oh; Lee, Heon-Ju

2008-02-01

The physicochemical processes of dielectric barrier discharge (DBD) such as in-situ formation of chemically active species and emission of ultraviolet (UV)/visible light were utilized for the treatment of a simulated wastewater formed with Acid Red 4 as the model organic contaminant. The chemically active species (mostly ozone) produced in the DBD reactor were well distributed in the wastewater using a porous gas diffuser, thereby increasing the gas-liquid contact area. For the purpose of making the best use of the light emission, a titanium oxide-based photocatalyst was incorporated in the wastewater treating system. The experimental parameters chosen were the voltage applied to the DBD reactor, the initial pH of the wastewater, and the concentration of hydrogen peroxide added to the wastewater. The results have clearly shown that the present system capable of degrading organic contaminants in two ways (photocatalysis and ozonation) may be a promising wastewater treatment technology.

Analysis of Al diffusion processes in TiN barrier layers for the application in silicon solar cell metallization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumm, J.; Samadi, H.; Chacko, R. V.

An evaporated Al layer is known as an excellent rear metallization for highly efficient solar cells, but suffers from incompatibility with a common solder process. To enable solar cell-interconnection and module integration, in this work the Al layer is complemented with a solder stack of TiN/Ti/Ag or TiN/NiV/Ag, in which the TiN layer acts as an Al diffusion barrier. X-ray photoelectron spectroscopy measurements prove that diffusion of Al through the stack and the formation of an Al{sub 2}O{sub 3} layer on the stack's surface are responsible for a loss of solderability after a strong post-metallization anneal, which is often mandatorymore » to improve contact resistance and passivation quality. An optimization of the reactive TiN sputter process results in a densification of the TiN layer, which improves its barrier quality against Al diffusion. However, measurements with X-ray diffraction and scanning electron microscopy show that small grains with vertical grain boundaries persist, which still offer fast diffusion paths. Therefore, the concept of stuffing is introduced. By incorporating oxygen into the grain boundaries of the sputtered TiN layer, Al diffusion is strongly reduced as confirmed by secondary ion mass spectroscopy profiles. A quantitative analysis reveals a one order of magnitude lower Al diffusion coefficient for stuffed TiN layers. This metallization system maintains its solderability even after strong post-metallization annealing at 425 °C for 15 min. This paper thus presents an industrially feasible, conventionally solderable, and long-term stable metallization scheme for highly efficient silicon solar cells.« less

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

PubMed

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.

Carrier Transport and Effective Barrier Height of Low Resistance Metal Contact to Highly Mg-Doped p-GaN

NASA Astrophysics Data System (ADS)

Park, Youngjun; Kim, Hyunsoo

2011-08-01

The effective barrier height and carrier transport mechanism of low resistance Ag-based contact to highly Mg-doped p-GaN were investigated. The specific contact resistance obtained was as low as 7.0×10-4 Ω cm2. The electrical resistivity of p-GaN was found to increase depending on ˜T-1/4, indicating variable-range hopping (VRH) conduction through Mg-related deep-level defects. Based on the VRH conduction model, the effective barrier height for carrier transport could be measured as 0.12 eV, which is low enough to explain the formation of excellent ohmic contact. The deep-level defects were also found to induce surface Fermi pinning.

Axial diffusion barriers in near-infrared nanopillar LEDs.

PubMed

Scofield, Adam C; Lin, Andrew; Haddad, Michael; Huffaker, Diana L

2014-11-12

The growth of GaAs/GaAsP axial heterostructures is demonstrated and implemented as diffusion current barriers in nanopillar light-emitting diodes at near-infrared wavelengths. The nanopillar light-emitting diodes utilize an n-GaAs/i-InGaAs/p-GaAs axial heterostructure for current injection. Axial GaAsP segments are inserted into the n- and p-GaAs portions of the nanopillars surrounding the InGaAs emitter region, acting as diffusion barriers to provide enhanced carrier confinement. Detailed characterization of growth of the GaAsP inserts and electronic band-offset measurements are used to effectively implement the GaAsP inserts as diffusion barriers. The implementation of these barriers in nanopillar light-emitting diodes provides a 5-fold increase in output intensity, making this a promising approach to high-efficiency pillar-based emitters in the near-infrared wavelength range.

Investigation to develop a method to apply diffusion barrier to high strength fibers

NASA Technical Reports Server (NTRS)

Veltri, R. D.; Paradis, R. D.; Douglas, F. C.

1975-01-01

A radio frequency powered ion plating process was used to apply the diffusion barriers of aluminum oxide, yttrium oxide, hafnium oxide and titanium carbide to a substrate tungsten fiber. Each of the coatings was examined as to its effect on both room temperature strength and tensile strength of the base tungsten fiber. The coated fibers were then overcoated with a nickel alloy to become single cell diffusion couples. These diffusion couples were exposed to 1093 C for 24 hours, cycled between room temperature and 1093 C, and given a thermal anneal for 100 hours at 1200 C. Tensile testing and metallographic examinations determined that the hafnium oxide coating produced the best high temperature diffusion barrier for tungsten of the four coatings.

Gold-based thin multilayers for ohmic contacts in RF-MEMS switches

NASA Astrophysics Data System (ADS)

Mulloni, V.; Iannacci, J.; Bartali, R.; Micheli, V.; Colpo, S.; Laidani, N.; Margesin, B.

2011-06-01

In RF-MEMS switches many reliability issues are related to the metal contacts in the switching area. The characteristics of this contact influence not only contact resistance and insertion loss, but also the most relevant switch failure mechanisms that are wear of ohmic contact, adhesion and stiction. Gold is widely used for this purpose because of its good conductivity and chemical inertness, but is a soft metal, and the development of hard contact materials with low resistivity is of great interest for RF-MEMS switch reliability. It is possible to increase the contact hardness preserving the convenient gold properties alternating gold layers with thin layers of different metals. The material becomes harder not only by simple alloying but also by the presence of interfaces which act as barriers for mechanical dislocation migration. A detailed study of mechanical, electrical and morphological properties of gold-chromium, gold-platinum and gold-palladium multilayers is presented and discussed. It is found that the annealing treatments are important for tuning hardness values, and a careful choice of the alloying metal is essential when the material is inserted in a real switch fabrication cycle, because hardness improvements can vanish during oxygen plasma treatments usually involved in RF-switches fabrication. Platinum is the only metal tested that is unaffected by oxidation, and also modifies the chromium adhesion layer diffusion on the contact surface.

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

NASA Astrophysics Data System (ADS)

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.

PubMed

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

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.

Development of high temperature stable Ohmic and Schottky contacts on n-gallium nitride

NASA Astrophysics Data System (ADS)

Khanna, Rohit

In this work the effort was made to towards develop and investigate high temperature stable Ohmic and Schottky contacts for n type GaN. Various borides and refractory materials were incorporated in metallization scheme to best attain the desired effect of minimal degradation of contacts when placed at high temperatures. This work focuses on achieving a contact scheme using different borides which include two Tungsten Borides (namely W2B, W2B 5), Titanium Boride (TiB2), Chromium Boride (CrB2) and Zirconium Boride (ZrB2). Further a high temperature metal namely Iridium (Ir) was evaluated as a potential contact to n-GaN, as part of continuing improved device technology development. The main goal of this project was to investigate the most promising boride-based contact metallurgies on GaN, and finally to fabricate a High Electron Mobility Transistor (HEMT) and compare its reliability to a HEMT using present technology contact. Ohmic contacts were fabricated on n GaN using borides in the metallization scheme of Ti/Al/boride/Ti/Au. The characterization of the contacts was done using current-voltage measurements, scanning electron microscopy (SEM) and Auger Electron Spectroscopy (AES) measurements. The contacts formed gave specific contact resistance of the order of 10-5 to 10-6 Ohm-cm2. A minimum contact resistance of 1.5x10-6 O.cm 2 was achieved for the TiB2 based scheme at an annealing temperature of 850-900°C, which was comparable to a regular ohmic contact of Ti/Al/Ni/Au on n GaN. When some of borides contacts were placed on a hot plate or in hot oven for temperature ranging from 200°C to 350°C, the regular metallization contacts degraded before than borides ones. Even with a certain amount of intermixing of the metallization scheme the boride contacts showed minimal roughening and smoother morphology, which, in terms of edge acuity, is crucial for very small gate devices. Schottky contacts were also fabricated and characterized using all the five boride compounds. The barrier height obtained on n GaN was ˜0-5-0.6 eV which was low compared to those obtained by Pt or Ni. This barrier height is too low for use as a gate contact and they can only have limited use, perhaps, in gas sensors where large leakage current can be tolerated in exchange for better thermal reliability. AlGaN/GaN High Electron Mobility Transistors (HEMTs) were fabricated with Ti/Al/TiB2/Ti/Au source/drain ohmic contacts and a variety of gate metal schemes (Pt/Au, Ni/Au, Pt/TiB2/Au or Ni/TiB 2/Au) and were subjected to long-term annealing at 350°C. By comparison with companion devices with conventional Ti/Al/Pt/Au ohmic contacts and Pt/Au gate contacts, the HEMTs with boride-based ohmic metal and either Pt/Au, Ni/Au or Ni/TiB2/Au gate metal showed superior stability of both source-drain current and transconductance after 25 days aging at 350°C. The need for sputter deposition of the borides causes' problem in achieving significantly lower specific contact resistance than with conventional schemes deposited using e-beam evaporation. The borides also seem to be, in general, good getters for oxygen leading to sheet resistivity issues. Ir/Au Schottky contacts and Ti/Al/Ir/Au ohmic contacts on n-type GaN were investigated as a function of annealing temperature and compared to their more common Ni-based counterparts. The Ir/Au ohmic contacts on n-type GaN with n˜1017 cm-3 exhibited barrier heights of 0.55 eV after annealing at 700°C and displayed less intermixing of the contact metals compared to Ni/Au. A minimum specific contact resistance of 1.6 x 10-6 O.cm2 was obtained for the ohmic contacts on n-type GaN with n˜1018 cm-3 after annealing at 900°C. The measurement temperature dependence of contact resistance was similar for both Ti/Al/Ir/Au and Ti/Al/Ni/Au, suggesting the same transport mechanism was present in both types of contacts. The Ir-based ohmic contacts displayed superior thermal aging characteristics at 350°C. Auger Electron Spectroscopy showed that Ir is a superior diffusion barrier at these moderate temperatures than Ni.

Characterization technique for inhomogeneous 4H-SiC Schottky contacts: A practical model for high temperature behavior

NASA Astrophysics Data System (ADS)

Brezeanu, G.; Pristavu, G.; Draghici, F.; Badila, M.; Pascu, R.

2017-08-01

In this paper, a characterization technique for 4H-SiC Schottky diodes with varying levels of metal-semiconductor contact inhomogeneity is proposed. A macro-model, suitable for high-temperature evaluation of SiC Schottky contacts, with discrete barrier height non-uniformity, is introduced in order to determine the temperature interval and bias domain where electrical behavior of the devices can be described by the thermionic emission theory (has a quasi-ideal performance). A minimal set of parameters, the effective barrier height and peff, the non-uniformity factor, is associated. Model-extracted parameters are discussed in comparison with literature-reported results based on existing inhomogeneity approaches, in terms of complexity and physical relevance. Special consideration was given to models based on a Gaussian distribution of barrier heights on the contact surface. The proposed methodology is validated by electrical characterization of nickel silicide Schottky contacts on silicon carbide (4H-SiC), where a discrete barrier distribution can be considered. The same method is applied to inhomogeneous Pt/4H-SiC contacts. The forward characteristics measured at different temperatures are accurately reproduced using this inhomogeneous barrier model. A quasi-ideal behavior is identified for intervals spanning 200 °C for all measured Schottky samples, with Ni and Pt contact metals. A predictable exponential current-voltage variation over at least 2 orders of magnitude is also proven, with a stable barrier height and effective area for temperatures up to 400 °C. This application-oriented characterization technique is confirmed by using model parameters to fit a SiC-Schottky high temperature sensor's response.

Porous membrane electrochemical cell for uranium and transuranic recovery from molten salt electrolyte

DOEpatents

Willit, James L [Ratavia, IL

2007-09-11

An improved process and device for the recovery of the minor actinides and the transuranic elements (TRU's) from a molten salt electrolyte. The process involves placing the device, an electrically non-conducting barrier between an anode salt and a cathode salt. The porous barrier allows uranium to diffuse between the anode and cathode, yet slows the diffusion of uranium ions so as to cause depletion of uranium ions in the catholyte. This allows for the eventual preferential deposition of transuranics present in spent nuclear fuel such as Np, Pu, Am, Cm. The device also comprises an uranium oxidation anode. The oxidation anode is solid uranium metal in the form of spent nuclear fuel. The spent fuel is placed in a ferric metal anode basket which serves as the electrical lead or contact between the molten electrolyte and the anodic uranium metal.

Porous membrane electrochemical cell for uranium and transuranic recovery from molten salt electrolyte

DOEpatents

Willit, James L [Batavia, IL

2010-09-21

An improved process and device for the recovery of the minor actinides and the transuranic elements (TRU's) from a molten salt electrolyte. The process involves placing the device, an electrically non-conducting barrier between an anode salt and a cathode salt. The porous barrier allows uranium to diffuse between the anode and cathode, yet slows the diffusion of uranium ions so as to cause depletion of uranium ions in the catholyte. This allows for the eventual preferential deposition of transuranics present in spent nuclear fuel such as Np, Pu, Am, Cm. The device also comprises an uranium oxidation anode. The oxidation anode is solid uranium metal in the form of spent nuclear fuel. The spent fuel is placed in a ferric metal anode basket which serves as the electrical lead or contact between the molten electrolyte and the anodic uranium metal.

Mesoscale elucidation of laser-assisted chemical deposition of Sn nanostructured electrodes

NASA Astrophysics Data System (ADS)

Liu, Zhixiao; Deng, Biwei; Cheng, Gary J.; Deng, Huiqiu; Mukherjee, Partha P.

2015-06-01

Nanostructured tin (Sn) is a promising high-capacity electrode for improved performance in lithium-ion batteries for electric vehicles. In this work, Sn nanoisland growth for nanostructured electrodes assisted by the pulse laser irradiation has been investigated based on a mesoscale modeling formalism. The influence of pertinent processing conditions, such as pulse duration, heating/cooling rates, and atom flux, on the Sn nanostructure formation is specifically considered. The interaction between the adsorbed atom and the substrate, represented by the adatom diffusion barrier, is carefully studied. It is found that the diffusion barrier predominantly affects the distribution of Sn atoms. For both α-Sn and β-Sn, the averaged coordination number is larger than 3 when the diffusion barrier equals to 0.15 eV. The averaged coordination number decreases as the diffusion barrier increases. The substrate temperature, which is determined by heating/cooling rates and pulse duration, can also affect the formation of Sn nanoislands. For α-Sn, when applied low heating/cooling rates, nanoislands cannot form if the diffusion barrier is larger than 0.35 eV.

Realization of improved metallization-Ti/Al/Ti/W/Au ohmic contacts to n-GaN for high temperature application

NASA Astrophysics Data System (ADS)

Motayed, A.; Davydov, A. V.; Boettinger, W. J.; Josell, D.; Shapiro, A. J.; Levin, I.; Zheleva, T.; Harris, G. L.

2005-05-01

Tungsten metal layer was used for the first time as an effective diffusion barrier for the standard Ti/Al/Ti/Au ohmic metallization scheme to obtain thermally stable ohmic contact suitable for high temperature applications. Comparative studies were performed on three distinct metallization schemes: 1) standard GaN/Ti/Al/Ti/Au, 2) GaN/Ti/Al/W/Au, and 3) GaN/Ti/Al/Ti/W/Au. For the GaN with doping level of 5 × 1017 cm-3, the lowest specific contact resistance for the Ti/Al/Ti/W/Au metallization scheme annealed in argon at 750 °C for 30 sec was 5 × 10-6 .cm2, which is comparable to the standard Ti/Al/Ti/Au scheme. X-ray diffractions (XRD), auger electron spectroscopy (AES) depth profiling, field-emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), and cross-sectional transmission electron microscopy (TEM) revealed that the Ti/Al/Ti/W/Au metallization has superior morphology and microstructural properties compared to standard Ti/Al/Ti/Au metallizations. Remarkably, this metallization was able to withstand thermal aging at 500 °C for 50 hrs with only marginal morphological and electrical deterioration. These studies revealed that the utilization of a compound diffusion barrier stack, as in the Ti/Al/Ti/W/Au metallization, yields electrically, structurally, and morphologically superior metallizations with exceptional thermal stability.

Investigation of accelerated stress factors and failure/degradation mechanisms in terrestrial solar cells

NASA Technical Reports Server (NTRS)

Lathrop, J. W.

1983-01-01

Results of an ongoing research program into the reliability of terrestrial solar cells are presented. Laboratory accelerated testing procedures are used to identify failure/degradation modes which are then related to basic physical, chemical, and metallurgical phenomena. In the most recent tests, ten different types of production cells, both with and without encapsulation, from eight different manufacturers were subjected to a variety of accelerated tests. Results indicated the presence of a number of hitherto undetected failure mechanisms, including Schottky barrier formation at back contacts and loss of adhesion of grid metallization. The mechanism of Schottky barrier formation is explained by hydrogen, formed by the dissociation of water molecules at the contact surface, diffusing to the metal semiconductor interface. This same mechanism accounts for the surprising increase in sensitivity to accelerated stress conditions that was observed in some cells when encapsulated.

Diffusion of an evidence-based smoking cessation intervention through Facebook: a randomised controlled trial study protocol.

PubMed

Cobb, Nathan K; Jacobs, Megan A; Saul, Jessie; Wileyto, E Paul; Graham, Amanda L

2014-01-21

Online social networks represent a potential mechanism for the dissemination of health interventions including smoking cessation; however, which elements of an intervention determine diffusion between participants is unclear. Diffusion is frequently measured using R, the reproductive rate, which is determined by the duration of use (t), the 'contagiousness' of an intervention (β) and a participant's total contacts (z). We have developed a Facebook 'app' that allows us to enable or disable various components designed to impact the duration of use (expanded content, proactive contact), contagiousness (active and passive sharing) and number of contacts (use by non-smoker supporters). We hypothesised that these elements would be synergistic in their impact on R, while including non-smokers would induce a 'carrier' state allowing the app to bridge clusters of smokers. This study is a fractional factorial, randomised control trial of the diffusion of a Facebook application for smoking cessation. Participants recruited through online advertising are randomised to 1 of 12 cells and serve as 'seed' users. All user interactions are tracked, including social interactions with friends. Individuals installing the application that can be traced back to a seed participant are deemed 'descendants' and form the outcome of interest. Analysis will be conducted using Poisson regression, with event count as the outcome and the number of seeds in the cell as the exposure. The results will be reported as a baseline R0 for the reference group, and incidence rate ratio for the remainder of predictors. This study uses an abbreviated consent process designed to minimise barriers to adoption and was deemed to be minimal risk by the Institutional Review Board (IRB). Results will be disseminated through traditional academic literature as well as social media. If feasible, anonymised data and underlying source code are intended to be made available under an open source license. NCT01746472.

Diffusion of an evidence-based smoking cessation intervention through Facebook: a randomised controlled trial study protocol

PubMed Central

Cobb, Nathan K; Jacobs, Megan A; Saul, Jessie; Wileyto, E Paul; Graham, Amanda L

2014-01-01

Introduction Online social networks represent a potential mechanism for the dissemination of health interventions including smoking cessation; however, which elements of an intervention determine diffusion between participants is unclear. Diffusion is frequently measured using R, the reproductive rate, which is determined by the duration of use (t), the ‘contagiousness’ of an intervention (β) and a participant's total contacts (z). We have developed a Facebook ‘app’ that allows us to enable or disable various components designed to impact the duration of use (expanded content, proactive contact), contagiousness (active and passive sharing) and number of contacts (use by non-smoker supporters). We hypothesised that these elements would be synergistic in their impact on R, while including non-smokers would induce a ‘carrier’ state allowing the app to bridge clusters of smokers. Methods and analysis This study is a fractional factorial, randomised control trial of the diffusion of a Facebook application for smoking cessation. Participants recruited through online advertising are randomised to 1 of 12 cells and serve as ‘seed’ users. All user interactions are tracked, including social interactions with friends. Individuals installing the application that can be traced back to a seed participant are deemed ‘descendants’ and form the outcome of interest. Analysis will be conducted using Poisson regression, with event count as the outcome and the number of seeds in the cell as the exposure. Results The results will be reported as a baseline R0 for the reference group, and incidence rate ratio for the remainder of predictors. Ethics and Dissemination This study uses an abbreviated consent process designed to minimise barriers to adoption and was deemed to be minimal risk by the Institutional Review Board (IRB). Results will be disseminated through traditional academic literature as well as social media. If feasible, anonymised data and underlying source code are intended to be made available under an open source license. ClinicalTrials.gov registration number NCT01746472. PMID:24448847

Tribological properties of ceramic-(Ti3Al-Nb) sliding couples for use as candidate seal materials to 700 C

NASA Technical Reports Server (NTRS)

Dellacorte, Christhopher; Steinetz, Bruce M.; Brindley, Pamela K.

1990-01-01

Tribological properties of Ti3Al-Nb intermetallic disks sliding against alumina-boria-silicate fabric were ascertained in air at temperatures from 25 to 700 C. These materials are candidates for sliding seal applications for the National AeroSpace Plane. The tests were done using a pin on disk tribometer. Sliding was unidirectional at 0.27 m/sec under a nominal contact stress of 340 kPa. Gold sputter or ion plating deposited films were used to reduce friction and wear. Rhodium and palladium films were used beneath the gold lubricating films to prevent diffusion of the substrate into the gold at high temperature. The friction and wear of the unlubricated specimens was unacceptable. Friction coefficients were generally greater than 1.0. The ion plated gold films, when used with a rhodium diffusion barrier reduced friction by almost a factor of 2. Wear was also substantially reduced. The sputter deposited films were not adherent unless the substrate was sputter cleaned immediately prior to film deposition. Palladium did not function as a diffusion barrier.

Tribological properties of ceramic/Ti3Al-Nb sliding couples for use as candidate seal materials to 700 deg C

NASA Technical Reports Server (NTRS)

Dellacorte, Christopher; Steinetz, Bruce M.; Brindley, Pamela K.

1989-01-01

Tribological properties of Ti3Al-Nb intermetallic disks sliding against alumina-boria-silicate fabric were ascertained in air at temperatures from 25 to 700 C. These materials are candidates for sliding seal applications for the National AeroSpace Plane. The tests were done using a pin on disk tribometer. Sliding was unidirectional at 0.27 m/sec under a nominal contact stress of 340 kPa. Gold sputter or ion plating deposited films were used to reduce friction and wear. Rhodium and palladium films were used beneath the gold lubricating films to prevent diffusion of the substrate into the gold at high temperature. The friction and wear of the unlubricated specimens was unacceptable. Friction coefficients were generally greater than 1.0. The ion plated gold films, when used with a rhodium diffusion barrier reduced friction by almost a factor of 2. Wear was also substantially reduced. The sputter deposited films were not adherent unless the substrate was sputter cleaned immediately prior to film deposition. Palladium did not function as a diffusion barrier.

Texture in thin film silicides and germanides: A review

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Schutter, B., E-mail: bob.deschutter@ugent.be; De Keyser, K.; Detavernier, C.

Silicides and germanides are compounds consisting of a metal and silicon or germanium. In the microelectronics industry, silicides are the material of choice for contacting silicon based devices (over the years, CoSi{sub 2}, C54-TiSi{sub 2}, and NiSi have been adopted), while germanides are considered as a top candidate for contacting future germanium based electronics. Since also strain engineering through the use of Si{sub 1−x}Ge{sub x} in the source/drain/gate regions of MOSFET devices is an important technique for improving device characteristics in modern Si-based microelectronics industry, a profound understanding of the formation of silicide/germanide contacts to silicon and germanium is ofmore » utmost importance. The crystallographic texture of these films, which is defined as the statistical distribution of the orientation of the grains in the film, has been the subject of scientific studies since the 1970s. Different types of texture like epitaxy, axiotaxy, fiber, or combinations thereof have been observed in such films. In recent years, it has become increasingly clear that film texture can have a profound influence on the formation and stability of silicide/germanide contacts, as it controls the type and orientation of grain boundaries (affecting diffusion and agglomeration) and the interface energy (affecting nucleation during the solid-state reaction). Furthermore, the texture also has an impact on the electrical characteristics of the contact, as the orientation and size of individual grains influences functional properties such as contact resistance and sheet resistance and will induce local variations in strain and Schottky barrier height. This review aims to give a comprehensive overview of the scientific work that has been published in the field of texture studies on thin film silicide/germanide contacts.« less

Texture in thin film silicides and germanides: A review

NASA Astrophysics Data System (ADS)

De Schutter, B.; De Keyser, K.; Lavoie, C.; Detavernier, C.

2016-09-01

Silicides and germanides are compounds consisting of a metal and silicon or germanium. In the microelectronics industry, silicides are the material of choice for contacting silicon based devices (over the years, CoSi2, C54-TiSi2, and NiSi have been adopted), while germanides are considered as a top candidate for contacting future germanium based electronics. Since also strain engineering through the use of Si1-xGex in the source/drain/gate regions of MOSFET devices is an important technique for improving device characteristics in modern Si-based microelectronics industry, a profound understanding of the formation of silicide/germanide contacts to silicon and germanium is of utmost importance. The crystallographic texture of these films, which is defined as the statistical distribution of the orientation of the grains in the film, has been the subject of scientific studies since the 1970s. Different types of texture like epitaxy, axiotaxy, fiber, or combinations thereof have been observed in such films. In recent years, it has become increasingly clear that film texture can have a profound influence on the formation and stability of silicide/germanide contacts, as it controls the type and orientation of grain boundaries (affecting diffusion and agglomeration) and the interface energy (affecting nucleation during the solid-state reaction). Furthermore, the texture also has an impact on the electrical characteristics of the contact, as the orientation and size of individual grains influences functional properties such as contact resistance and sheet resistance and will induce local variations in strain and Schottky barrier height. This review aims to give a comprehensive overview of the scientific work that has been published in the field of texture studies on thin film silicide/germanide contacts.

First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

DOE PAGES

Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; ...

2015-02-17

The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

Effect of nanodimensional polyethylenimine layer on surface potential barriers of hybrid structures based on silicon single crystal

NASA Astrophysics Data System (ADS)

Malyar, Ivan V.; Gorin, Dmitry A.; Stetsyura, Svetlana V.

2013-01-01

In this report we present the analysis of I-V curves for MIS-structures like silicon substrate / nanodimensional polyelectrolyte layer / metal probe (contact) which is promising for biosensors, microfluidic chips, different devices of molecular electronics, such as OLEDs, solar cells, where polyelectrolyte layers can be used to modify semiconductor surface. The research is directed to investigate the contact phenomena which influence the resulting signal of devices mentioned above. The comparison of I-V characteristics of such structures measured by scanning tunnel microscopy (contactless technique) and using contact areas deposited by thermal evaporation onto the organic layer (the contact one) was carried out. The photoassisted I-V measurements and complex analysis based on Simmons and Schottky models allow one to extract the potential barriers and to observe the changes of charge transport in MIS-structures under illumination and after polyelectrolyte adsorption. The direct correlation between the thickness of the deposited polyelectrolyte layer and both equilibrium tunnel barrier and Schottky barrier height was observed for hybrid structures with polyethylenimine. The possibility of control over the I-V curves of hybrid structure and the height of the potential barriers (for different charge transports) by illumination was confirmed. Based on experimental data and complex analysis the band diagrams were plotted which illustrate the changes of potential barriers for MIS-structures due to the polyelectrolyte adsorption and under the illumination.

Lateral carrier diffusion and current gain in terahertz InGaAs/InP double-heterojunction bipolar transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiang, Han-Wei; Rode, Johann C.; Choudhary, Prateek

2014-01-21

The DC current gain in In{sub 0.53}Ga{sub 0.47}As/InP double-heterojunction bipolar transistors is computed based on a drift-diffusion model, and is compared with experimental data. Even in the absence of other scaling effects, lateral diffusion of electrons to the base Ohmic contacts causes a rapid reduction in DC current gain as the emitter junction width and emitter-base contact spacing are reduced. The simulation and experimental data are compared in order to examine the effect of carrier lateral diffusion on current gain. The impact on current gain due to device scaling and approaches to increase current gain are discussed.

Diffusion of pain management research into nursing practice.

PubMed

Dooks, P

2001-04-01

The promotion of evidence based practice is a challenge within nursing. Pain management is a prime example of this practice research gap. There is solid evidence for 20 years to promote positive change in our methods of pain management, yet outdated approaches are still amazingly evident. Even among oncology nurses, who place a high value on promoting patient comfort, there is a lack of evidence-based pain management. Rogers' Diffusion of Innovation Theory provides an interesting framework for examining the issues and possible solutions to this complex problem. Rogers' theory examines how changes diffuse through a social system over time and also exposes some of the barriers and facilitators to this process. The theory looks at adopters, the nature of the innovation, the social system, and communication patterns. Identifying the barriers of the past will help nursing to overcome these same barriers and increase the adoption of evidence-based pain management approaches in the future.

Method for applying a diffusion barrier interlayer for high temperature components

DOEpatents

Wei, Ronghua; Cheruvu, Narayana S.

2016-03-08

A coated substrate and a method of forming a diffusion barrier coating system between a substrate and a MCrAl coating, including a diffusion barrier coating deposited onto at least a portion of a substrate surface, wherein the diffusion barrier coating comprises a nitride, oxide or carbide of one or more transition metals and/or metalloids and a MCrAl coating, wherein M includes a transition metal or a metalloid, deposited on at least a portion of the diffusion barrier coating, wherein the diffusion barrier coating restricts the inward diffusion of aluminum of the MCrAl coating into the substrate.

Metal diffusion barriers for GaAs solar cells.

PubMed

van Leest, R H; Mulder, P; Bauhuis, G J; Cheun, H; Lee, H; Yoon, W; van der Heijden, R; Bongers, E; Vlieg, E; Schermer, J J

2017-03-15

In this study accelerated ageing testing (AAT), J-V characterization and TEM imaging in combination with phase diagram data from literature are used to assess the potential of Ti, Ni, Pd and Pt as diffusion barriers for Au/Cu-based metallization of III-V solar cells. Ni barriers show the largest potential as at an AAT temperature of 250 °C both cells with 10 and 100 nm thick Ni barriers show significantly better performance compared to Au/Cu cells, with the cells with 10 nm Ni barriers even showing virtually no degradation after 7.5 days at 250 °C (equivalent to 10 years at 100 °C at an E a of 0.70 eV). Detailed investigation shows that Ni does not act as a barrier in the classical sense, i.e. preventing diffusion of Cu and Au across the barrier. Instead Ni modifies or slows down the interactions taking place during device degradation and thus effectively acts as an 'interaction' barrier. Different interactions occur at temperatures below and above 250 °C and for thin (10 nm) and thick (100 nm) barriers. The results of this study indicate that 10-100 nm thick Ni intermediate layers in the Cu/Au based metallization of III-V solar cells may be beneficial to improve the device stability upon exposure to elevated temperatures.

Ferromagnetic tunnel contacts to graphene: Contact resistance and spin signal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cubukcu, M.; Laczkowski, P.; Vergnaud, C.

2015-02-28

We report spin transport in CVD graphene-based lateral spin valves using different magnetic contacts. We compared the spin signal amplitude measured on devices where the cobalt layer is directly in contact with the graphene to the one obtained using tunnel contacts. Although a sizeable spin signal (up to ∼2 Ω) is obtained with direct contacts, the signal is strongly enhanced (∼400 Ω) by inserting a tunnel barrier. In addition, we studied the resistance-area product (R.A) of a variety of contacts on CVD graphene. In particular, we compared the R.A products of alumina and magnesium oxide tunnel barriers grown by sputteringmore » deposition of aluminum or magnesium and subsequent natural oxidation under pure oxygen atmosphere or by plasma. When using an alumina tunnel barrier on CVD graphene, the R.A product is high and exhibits a large dispersion. This dispersion can be highly reduced by using a magnesium oxide tunnel barrier, as for the R.A value. This study gives insight in the material quest for reproducible and efficient spin injection in CVD graphene.« less

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

NASA Astrophysics Data System (ADS)

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.

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

PubMed Central

2015-01-01

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO2 and CH4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO2 and CH4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2–3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH4 in the nanostructure of SiC-DC. PMID:24932319

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon.

PubMed

Farmahini, Amir H; Shahtalebi, Ali; Jobic, Hervé; Bhatia, Suresh K

2014-06-05

We investigate the influence of structural heterogeneity on the transport properties of simple gases in a Hybrid Reverse Monte Carlo (HRMC) constructed model of silicon carbide-derived carbon (SiC-DC). The energy landscape of the system is determined based on free energy analysis of the atomistic model. The overall energy barriers of the system for different gases are computed along with important properties, such as Henry constant and differential enthalpy of adsorption at infinite dilution, and indicate hydrophobicity of the SiC-DC structure and its affinity for CO 2 and CH 4 adsorption. We also study the effect of molecular geometry, pore structure and energy heterogeneity considering different hopping scenarios for diffusion of CO 2 and CH 4 through ultramicropores using the Nudged Elastic Band (NEB) method. It is shown that the energy barrier of a hopping molecule is very sensitive to the shape of the pore entry. We provide evidence for the influence of structural heterogeneity on self-diffusivity of methane and carbon dioxide using molecular dynamics simulation, based on a maximum in the variation of self-diffusivity with loading. A comparison of the MD simulation results with self-diffusivities from quasi-elastic neutron scattering (QENS) measurements and, with macroscopic uptake-based low-density transport coefficients, reveals the existence of internal barriers not captured in MD simulation and QENS experiments. Nevertheless, the simulation and macroscopic uptake-based diffusion coefficients agree within a factor of 2-3, indicating that our HRMC model structure captures most of the important energy barriers affecting the transport of CH 4 in the nanostructure of SiC-DC.

Apoplastic Diffusion Barriers in Arabidopsis

PubMed Central

Schreiber, Lukas; Franke, Rochus Benni; Geldner, Niko; Reina-Pinto, José J.; Kunst, Ljerka

2013-01-01

During the development of Arabidopsis and other land plants, diffusion barriers are formed in the apoplast of specialized tissues within a variety of plant organs. While the cuticle of the epidermis is the primary diffusion barrier in the shoot, the Casparian strips and suberin lamellae of the endodermis and the periderm represent the diffusion barriers in the root. Different classes of molecules contribute to the formation of extracellular diffusion barriers in an organ- and tissue-specific manner. Cutin and wax are the major components of the cuticle, lignin forms the early Casparian strip, and suberin is deposited in the stage II endodermis and the periderm. The current status of our understanding of the relationships between the chemical structure, ultrastructure and physiological functions of plant diffusion barriers is discussed. Specific aspects of the synthesis of diffusion barrier components and protocols that can be used for the assessment of barrier function and important barrier properties are also presented. PMID:24465172

Solar cells having integral collector grids

NASA Technical Reports Server (NTRS)

Evans, J. C., Jr. (Inventor)

1978-01-01

A heterojunction or Schottky barrier photovoltaic device is described, comprising a conductive base metal layer. A back surface field region was formed at the interface between the device and the base metal layer, a transparent, conductive mixed metal oxide layer in integral contact with the n-type layer of the heterojunction or Schottky barrier device. A metal alloy grid network was included. An insulating layer prevented electrical contact between the conductive metal base layer and the transparent, conductive metal oxide layer.

Atomistics of vapour–liquid–solid nanowire growth

PubMed Central

Wang, Hailong; Zepeda-Ruiz, Luis A.; Gilmer, George H.; Upmanyu, Moneesh

2013-01-01

Vapour–liquid–solid route and its variants are routinely used for scalable synthesis of semiconducting nanowires, yet the fundamental growth processes remain unknown. Here we employ atomic-scale computations based on model potentials to study the stability and growth of gold-catalysed silicon nanowires. Equilibrium studies uncover segregation at the solid-like surface of the catalyst particle, a liquid AuSi droplet, and a silicon-rich droplet–nanowire interface enveloped by heterogeneous truncating facets. Supersaturation of the droplets leads to rapid one-dimensional growth on the truncating facets and much slower nucleation-controlled two-dimensional growth on the main facet. Surface diffusion is suppressed and the excess Si flux occurs through the droplet bulk which, together with the Si-rich interface and contact line, lowers the nucleation barrier on the main facet. The ensuing step flow is modified by Au diffusion away from the step edges. Our study highlights key interfacial characteristics for morphological and compositional control of semiconducting nanowire arrays. PMID:23752586

Multi-layer light-weight protective coating and method for application

NASA Technical Reports Server (NTRS)

Wiedemann, Karl E. (Inventor); Clark, Ronald K. (Inventor); Taylor, Patrick J. (Inventor)

1992-01-01

A thin, light-weight, multi-layer coating is provided for protecting metals and their alloys from environmental attack at high temperatures. A reaction barrier is applied to the metal substrate and a diffusion barrier is then applied to the reaction barrier. A sealant layer may also be applied to the diffusion barrier if desired. The reaction barrier is either non-reactive or passivating with respect to the metal substrate and the diffusion barrier. The diffusion barrier is either non-reactive or passivating with respect to the reaction barrier and the sealant layer. The sealant layer is immiscible with the diffusion barrier and has a softening point below the expected use temperature of the metal.

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

NASA Astrophysics Data System (ADS)

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

2006-11-01

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 TixSiy 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 °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.

Complementary Barrier Infrared Detector (CBIRD) Contact Methods

NASA Technical Reports Server (NTRS)

Ting, David Z.; Hill, Cory J.; Gunapala, Sarath D.

2013-01-01

The performance of the CBIRD detector is enhanced by using new device contacting methods that have been developed. The detector structure features a narrow gap adsorber sandwiched between a pair of complementary, unipolar barriers that are, in turn, surrounded by contact layers. In this innovation, the contact adjacent to the hole barrier is doped n-type, while the contact adjacent to the electron barrier is doped p-type. The contact layers can have wider bandgaps than the adsorber layer, so long as good electrical contacts are made to them. If good electrical contacts are made to either (or both) of the barriers, then one could contact the barrier(s) directly, obviating the need for additional contact layers. Both the left and right contacts can be doped either n-type or ptype. Having an n-type contact layer next to the electron barrier creates a second p-n junction (the first being the one between the hole barrier and the adsorber) over which applied bias could drop. This reduces the voltage drop over the adsorber, thereby reducing dark current generation in the adsorber region.

The Thermal Diffusivity Measurement of the Two-layer Ceramics Using the Laser Flash Methodn

NASA Astrophysics Data System (ADS)

Akoshima, Megumi; Ogwa, Mitsue; Baba, Tetsuya; Mizuno, Mineo

Ceramics-based thermal barrier coatings are used as heat and wear shields of gas turbines. There are strong needs to evaluate thermophysical properties of coating, such as thermal conductivity, thermal diffusivity and heat capacity of them. Since the coatings are attached on substrates, it is no easy to measure these properties separately. The laser flash method is one of the most popular thermal diffusivity measurement methods above room temperature for solid materials. The surface of the plate shape specimen is heated by the pulsed laser-beam, then the time variation of the temperature of the rear surface is observed by the infrared radiometer. The laser flash method is non-contact and short time measurement. In general, the thermal diffusivity of solids that are dense, homogeneous and stable, are measured by this method. It is easy to measure thermal diffusivity of a specimen which shows heat diffusion time about 1 ms to 1 s consistent with the specimen thickness of about 1 mm to 5 mm. On the other hand, this method can be applied to measure the specific heat capacity of the solids. And it is also used to estimate the thermal diffusivity of an unknown layer in the layered materials. In order to evaluate the thermal diffusivity of the coating attached on substrate, we have developed a measurement procedure using the laser flash method. The multi-layer model based on the response function method was applied to calculate the thermal diffusivity of the coating attached on substrate from the temperature history curve observed for the two-layer sample. We have verified applicability of the laser flash measurement with the multi-layer model using the measured results and the simulation. It was found that the laser flash measurement for the layered sample using the multi-layer model was effective to estimate the thermal diffusivity of an unknown layer in the sample. We have also developed the two-layer ceramics samples as the reference materials for this procedure.

Variation in diffusion of gases through PDMS due to plasma surface treatment and storage conditions.

PubMed

Markov, Dmitry A; Lillie, Elizabeth M; Garbett, Shawn P; McCawley, Lisa J

2014-02-01

Polydimethylsiloxane (PDMS) is a commonly used polymer in the fabrication of microfluidic devices due to such features as transparency, gas permeability, and ease of patterning with soft lithography. The surface characteristics of PDMS can also be easily changed with oxygen or low pressure air plasma converting it from a hydrophobic to a hydrophilic state. As part of such a transformation, surface methyl groups are removed and replaced with hydroxyl groups making the exposed surface to resemble silica, a gas impermeable substance. We have utilized Platinum(II)-tetrakis(pentaflourophenyl)porphyrin immobilized within a thin (~1.5 um thick) polystyrene matrix as an oxygen sensor, Stern-Volmer relationship, and Fick's Law of simple diffusion to measure the effects of PDMS composition, treatment, and storage on oxygen diffusion through PDMS. Results indicate that freshly oxidized PDMS showed a significantly smaller diffusion coefficient, indicating that the SiO2 layer formed on the PDMS surface created an impeding barrier. This barrier disappeared after a 3-day storage in air, but remained significant for up to 3 weeks if PDMS was maintained in contact with water. Additionally, higher density PDMS formulation (5:1 ratio) showed similar diffusion characteristics as normal (10:1 ratio) formulation, but showed 60 % smaller diffusion coefficient after plasma treatment that never recovered to pre-treatment levels even after a 3-week storage in air. Understanding how plasma surface treatments contribute to oxygen diffusion will be useful in exploiting the gas permeability of PDMS to establish defined normoxic and hypoxic oxygen conditions within microfluidic bioreactor systems.

Variation in diffusion of gases through PDMS due to plasma surface treatment and storage conditions

PubMed Central

Markov, Dmitry A.; Lillie, Elizabeth M.; Garbett, Shawn P.; McCawley, Lisa J.

2013-01-01

Polydimethylsiloxane (PDMS) is a commonly used polymer in the fabrication of microfluidic devices due to such features as transparency, gas permeability, and ease of patterning with soft lithography. The surface characteristics of PDMS can also be easily changed with oxygen or low pressure air converting it from a hydrophobic to a hydrophilic state. As part of such a transformation, surface methyl groups are removed and replaced with hydroxyl groups making the exposed surface to resemble silica, a gas impermeable substance. We have utilized Platinum(II)-tetrakis(pentaflourophenyl)porphyrin immobilized within a thin (~1.5 um thick) polystyrene matrix as an oxygen sensor, Stern-Volmer relationship, and Fick's Law of simple diffusion to measure the effects of PDMS composition, treatment, and storage on oxygen diffusion through PDMS. Results show that freshly oxidized PDMS showed a significantly smaller diffusion coefficient, indicating that the SiO2 layer formed on the PDMS surface created an impeding barrier. This barrier disappeared after a three-day storage in air, but remained significant for up to three weeks if PDMS was maintained in contact with water. Additionally, higher density PDMS formulation (5:1 ratio) showed similar diffusion characteristics as normal (10:1 ratio) formulation, but showed 60% smaller diffusion coefficient after plasma treatment that never recovered to pre-treatment levels even after a three-week storage in air. Understanding how plasma surface treatments contribute to oxygen diffusion will be useful in exploiting the gas permeability of PDMS to establish defined normoxic and hypoxic oxygen conditions within microfluidic bioreactor systems. PMID:24065585

Lyophilic matrix method for dissolution and release studies of nanoscale particles.

PubMed

Pessi, Jenni; Svanbäck, Sami; Lassila, Ilkka; Hæggström, Edward; Yliruusi, Jouko

2017-10-25

We introduce a system with a lyophilic matrix to aid dissolution studies of powders and particulate systems. This lyophilic matrix method (LM method) is based on the ability to discriminate between non-dissolved particles and the dissolved species. In the LM method the test substance is embedded in a thin lyophilic core-shell matrix. This permits rapid contact with the dissolution medium while minimizing dispersion of non-dissolved particles without presenting a substantial diffusion barrier. The method produces realistic dissolution and release results for particulate systems, especially those featuring nanoscale particles. By minimizing method-induced effects on the dissolution profile of nanopowders, the LM method overcomes shortcomings associated with current dissolution tests. Copyright © 2017 Elsevier B.V. All rights reserved.

Electrochemical fuel cell generator having an internal and leak tight hydrocarbon fuel reformer

DOEpatents

Dederer, J.T.; Hager, C.A.

1998-03-31

An electrochemical fuel cell generator configuration is made having a generator section which contains a plurality of axially elongated fuel cells, each cell containing a fuel electrode, air electrode, and solid oxide electrolyte between the electrodes, in which axially elongated dividers separate portions of the fuel cells from each other, and where at least one divider also reforms a reformable fuel gas mixture prior to electricity generation reactions, the at least one reformer-divider is hollow having a closed end and an open end entrance for a reformable fuel mixture to pass to the closed end of the divider and then reverse flow and pass back along the hollowed walls to be reformed, and then finally to pass as reformed fuel out of the open end of the divider to contact the fuel cells, and further where the reformer-divider is a composite structure having a gas diffusion barrier of metallic foil surrounding the external walls of the reformer-divider except at the entrance to prevent diffusion of the reformable gas mixture through the divider, and further housed in an outer insulating jacket except at the entrance to prevent short-circuiting of the fuel cells by the gas diffusion barrier. 10 figs.

Electrochemical fuel cell generator having an internal and leak tight hydrocarbon fuel reformer

DOEpatents

Dederer, Jeffrey T.; Hager, Charles A.

1998-01-01

An electrochemical fuel cell generator configuration is made having a generator section which contains a plurality of axially elongated fuel cells, each cell containing a fuel electrode, air electrode, and solid oxide electrolyte between the electrodes, in which axially elongated dividers separate portions of the fuel cells from each other, and where at least one divider also reforms a reformable fuel gas mixture prior to electricity generation reactions, the at least one reformer-divider is hollow having a closed end and an open end entrance for a reformable fuel mixture to pass to the closed end of the divider and then reverse flow and pass back along the hollowed walls to be reformed, and then finally to pass as reformed fuel out of the open end of the divider to contact the fuel cells, and further where the reformer-divider is a composite structure having a gas diffusion barrier of metallic foil surrounding the external walls of the reformer-divider except at the entrance to prevent diffusion of the reformable gas mixture through the divider, and further housed in an outer insulating jacket except at the entrance to prevent short-circuiting of the fuel cells by the gas diffusion barrier.

Enhanced oxygen vacancy diffusion in Ta2O5 resistive memory devices due to infinitely adaptive crystal structure

NASA Astrophysics Data System (ADS)

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.

On colloid retention in saturated porous media in the presence of energy barriers: The failure of α, and opportunities to predict η

NASA Astrophysics Data System (ADS)

Johnson, William P.; Tong, Meiping; Li, Xiqing

2007-12-01

This contribution reviews recent findings that illuminate the processes governing colloid retention in porous media under environmentally relevant conditions. In the environment, colloids act as conveyors of contaminants, or even as contaminants themselves; however, despite decades of research, we are unable to accurately predict the retention of colloids in granular aquifer media under environmental conditions, where repulsion exists between colloids and surfaces. This failure cannot be blamed solely on the complexities of the subsurface, since colloid filtration theory (CFT) works well in the absence of colloid-collector repulsion despite its idealization of porous media as consisting of spherical grains completely surrounded by fluid envelopes. Rather, the failure of CFT stems from failure to incorporate the correct mechanisms of retention when repulsion exists. Recent observations implicate wedging in grain-to-grain contacts and retention in secondary energy minima as dominant mechanisms of colloid retention in the presence of an energy barrier. Mechanistic simulations in unit cells containing grain-to-grain contacts corroborate these mechanisms of colloid retention. The resulting concept for colloid retention in the presence of an energy barrier involves translation of colloids across the collector surfaces until they become wedged within grain-to-grain contacts, or are retained via secondary energy minima (without attachment) in zones where the balance of fluid drag, diffusion, gravitational, and colloid-collector interaction forces allow retention. The above findings highlight the pore domain geometry as a dominant governor of colloid retention in so far as the geometry gives rise to grain-to-grain contacts and zones of relatively low fluid drag.

Upscaling the diffusion equations in particulate media made of highly conductive particles. I. Theoretical aspects.

PubMed

Vassal, J-P; Orgéas, L; Favier, D; Auriault, J-L; Le Corre, S

2008-01-01

Many analytical and numerical works have been devoted to the prediction of macroscopic effective transport properties in particulate media. Usually, structure and properties of macroscopic balance and constitutive equations are stated a priori. In this paper, the upscaling of the transient diffusion equations in concentrated particulate media with possible particle-particle interfacial barriers, highly conductive particles, poorly conductive matrix, and temperature-dependent physical properties is revisited using the homogenization method based on multiple scale asymptotic expansions. This method uses no a priori assumptions on the physics at the macroscale. For the considered physics and microstructures and depending on the order of magnitude of dimensionless Biot and Fourier numbers, it is shown that some situations cannot be homogenized. For other situations, three different macroscopic models are identified, depending on the quality of particle-particle contacts. They are one-phase media, following the standard heat equation and Fourier's law. Calculations of the effective conductivity tensor and heat capacity are proved to be uncoupled. Linear and steady state continuous localization problems must be solved on representative elementary volumes to compute the effective conductivity tensors for the two first models. For the third model, i.e., for highly resistive contacts, the localization problem becomes simpler and discrete whatever the shape of particles. In paper II [Vassal, Phys. Rev. E 77, 011303 (2008)], diffusion through networks of slender, wavy, entangled, and oriented fibers is considered. Discrete localization problems can then be obtained for all models, as well as semianalytical or fully analytical expressions of the corresponding effective conductivity tensors.

Single-Band and Dual-Band Infrared Detectors

NASA Technical Reports Server (NTRS)

Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)

2015-01-01

Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.

Single-Band and Dual-Band Infrared Detectors

NASA Technical Reports Server (NTRS)

Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)

2017-01-01

Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.

Modeling the migration of platinum nanoparticles on surfaces using a kinetic Monte Carlo approach

DOE PAGES

Li, Lin; Plessow, Philipp N.; Rieger, Michael; ...

2017-02-15

We propose a kinetic Monte Carlo (kMC) model for simulating the movement of platinum particles on supports, based on atom-by-atom diffusion on the surface of the particle. The proposed model was able to reproduce equilibrium cluster shapes predicted using Wulff-construction. The diffusivity of platinum particles was simulated both purely based on random motion and assisted using an external field that causes a drift velocity. The overall particle diffusivity increases with temperature; however, the extracted activation barrier appears to be temperature independent. Additionally, this barrier was found to increase with particle size, as well as, with the adhesion between the particlemore » and the support.« less

Release of betaine and dexpanthenol from vitamin E modified silicone-hydrogel contact lenses.

PubMed

Hsu, Kuan-Hui; de la Jara, Percy Lazon; Ariyavidana, Amali; Watling, Jason; Holden, Brien; Garrett, Qian; Chauhan, Anuj

2015-03-01

To develop a contact lens system that will control the release of an osmoprotectant and a moisturizing agent with the aim to reduce symptoms of ocular dryness. Profiles of the release of osmoprotectant betaine and moisturizing agent dexpanthenol from senofilcon A and narafilcon B contact lenses were determined in vitro under sink conditions. Both types of lenses were also infused with vitamin E to increase the duration of drug release due to the formation of the vitamin E diffusion barriers in the lenses. The release profiles from vitamin E-infused lenses were compared with those from the control lenses. Both dexpanthenol and betaine are released from commercial silicone hydrogel lenses for only about 10 min. Vitamin E loadings into contact lenses at about 20-23% can increase the release times to about 10 h, which is about 60 times larger compared to the control unmodified lenses. Vitamin E-loaded silicone hydrogel contact lenses released betaine and dexpanthenol in a controlled fashion.

ZnO Schottky barriers and Ohmic contacts

NASA Astrophysics Data System (ADS)

Brillson, Leonard J.; Lu, Yicheng

2011-06-01

ZnO has emerged as a promising candidate for optoelectronic and microelectronic applications, whose development requires greater understanding and control of their electronic contacts. The rapid pace of ZnO research over the past decade has yielded considerable new information on the nature of ZnO interfaces with metals. Work on ZnO contacts over the past decade has now been carried out on high quality material, nearly free from complicating factors such as impurities, morphological and native point defects. Based on the high quality bulk and thin film crystals now available, ZnO exhibits a range of systematic interface electronic structure that can be understood at the atomic scale. Here we provide a comprehensive review of Schottky barrier and ohmic contacts including work extending over the past half century. For Schottky barriers, these results span the nature of ZnO surface charge transfer, the roles of surface cleaning, crystal quality, chemical interactions, and defect formation. For ohmic contacts, these studies encompass the nature of metal-specific interactions, the role of annealing, multilayered contacts, alloyed contacts, metallization schemes for state-of-the-art contacts, and their application to n-type versus p-type ZnO. Both ZnO Schottky barriers and ohmic contacts show a wide range of phenomena and electronic behavior, which can all be directly tied to chemical and structural changes on an atomic scale.

Fabrication and characterization of oxide-based thin film transistors, and process development for oxide heterostructures

NASA Astrophysics Data System (ADS)

Lim, Wantae

2009-12-01

This dissertation is focused on the development of thin film transistors (TFTs) using oxide materials composed of post-transitional cations with (n-1)d 10ns0 (n≥4). The goal is to achieve high performance oxide-based TFTs fabricated at low processing temperature on either glass or flexible substrates for next generation display applications. In addition, etching mechanism and Ohmic contact formation for oxide heterostructure (ZnO/CuCrO 2) system is demonstrated. The deposition and characterization of oxide semiconductors (In 2O3-ZnO, and InGaZnO4) using a RF-magnetron sputtering system are studied. The main influence on the resistivity of the films is found to be the oxygen partial pressure in the sputtering ambient. The films remained amorphous and transparent (> 70%) at all process conditions. These films showed good transmittance at suitable conductivity for transistor fabrication. The electrical characteristics of both top- and bottom-gate type Indium Zinc Oxide (InZnO) and Indium Gallium Zinc Oxide (InGaZnO4)-based TFTs are reported. The InZnO films were favorable for depletion-mode TFTs due to their tendency to form oxygen vacancies, while enhancement-mode devices were realized with InGaZnO4 films. The InGaZnO4-based TFTs fabricated on either glass or plastic substrates at low temperature (<100°C) exhibit good electrical properties: the saturation mobility of 5--12 cm2.V-1.s-1 and threshold voltage of 0.5--2.5V. The devices are also examined as a function of aging time in order to verify long-term stability in air. The effect of gate dielectric materials on electrical properties of InGaZnO 4-based TFTs was investigated. The use of SiNx film as a gate dielectric reduces the trap density and the roughness at the channel/gate dielectric interface compared to SiO2 gate dielectric, resulting in an improvement of device parameters by reducing scattering of trapped charges at the interface. The quality of interface is shown to have large effect on TFT performance. Plasma etching process of ZnO was carried out using a variety of plasma chemistries: CH4/H2-, C2H6/H 2-, Cl2-, IBr-, ICl-, BI3- and BBr3/Ar. High fidelity pattern transfer can be achieved with practical etch rate and very smooth surface in methane-based chemistries, although the sidewall is not completely vertical. Threshold energy as low as 60 +/- 20 eV for all plasma chemistries was achieved, confirming that etching is driven by ion-assisted mechanism over the whole range of ion energy. Ohmic contacts to p-CuCrO2 are examined using borides (CrB2 and W2B5), nitrides (TaN and ZrN) and a high temperature metal (Ir). These materials are used as a diffusion barrier in Ni/Au based contacts, i.e., Ni/Au/X/Ti/Au metallization scheme, where X is the refractory material. A minimum specific contact resistance of ˜ 5x10 -4 O.cm2 was achieved for the Ir-containing contacts after annealing at temperature of 500--800°C for 60s in O2 ambient. The presence of Ir diffusion barrier increase the thermal stability of the contacts by ˜ 200 °C compared to conventional Ni/Au contacts. By sharp contrast, the use of other refractory materials led to the poorer thermal stability, with the contact resistance increasing sharply above 400°C.

2D halide perovskite-based van der Waals heterostructures: contact evaluation and performance modulation

NASA Astrophysics Data System (ADS)

Guo, Yaguang; Saidi, Wissam A.; Wang, Qian

2017-09-01

Halide perovskites and van der Waals (vdW) heterostructures are both of current interest owing to their novel properties and potential applications in nano-devices. Here, we show the great potential of 2D halide perovskite sheets (C4H9NH3)2PbX4 (X  =  Cl, Br and I) that were synthesized recently (Dou et al 2015 Science 349 1518-21) as the channel materials contacting with graphene and other 2D metallic sheets to form van der Waals heterostructures for field effect transistor (FET). Based on state-of-the-art theoretical simulations, we show that the intrinsic properties of the 2D halide perovskites are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The 2D halide perovskites form a p-type Schottky barrier (Φh) contact with graphene, where tunneling barrier exists, and a negative band bending occurs at the lateral interface. We demonstrate that the Schottky barrier can be turned from p-type to n-type by doping graphene with nitrogen atoms, and a low-Φh or an Ohmic contact can be realized by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metallic sheets such as ZT-MoS2, ZT-MoSe2 and H-NbS2. This study not only predicts a 2D halide perovskite-based FETs, but also enhances the understanding of tuning Schottky barrier height in device applications.

Transport of Organic Compounds Through Porous Systems Containing Humic Acids.

PubMed

Smilek, Jiri; Sedlacek, Petr; Lastuvkova, Marcela; Kalina, Michal; Klucakova, Martina

2017-03-01

Soil pollution by the presence of different contaminants (e.g. heavy metal ions or pesticides) is one of the biggest problems worldwide. The positive affinity of natural humic acids towards these contaminants might contribute to the soil and ground water protection; therefore it is necessary to study the reactivity and barrier properties of humic acids. An original reactivity-mapping tool based on diffusion techniques designed to study the reactivity and barrier properties of polyelectrolytes was developed and tested on humic acids. The results of diffusion experiments demonstrate that the electrostatic interactions between humic acids functioning as a polyelectrolyte interpenetrated in a supporting hydrogel matrix (agarose) and cationic dye (methylene blue) as a model solute have a crucial impact on the rate of diffusion processes and on the barrier properties of hydrogels. The intensity of interactions was evaluated by fundamental diffusion parameters (effective diffusion coefficients and breakthrough time). The impact of modification of humic acids was also studied by means of diffusion experiments conducted on two types of standard humic acids (Leonardite 1S104H) and humic acids with selectively methylated carboxylic groups.

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

PubMed

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.

Characterization of a time-resolved non-contact scanning diffuse optical imaging system exploiting fast-gated single-photon avalanche diode detection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Di Sieno, Laura, E-mail: laura.disieno@polimi.it; Dalla Mora, Alberto; Contini, Davide

2016-03-15

We present a system for non-contact time-resolved diffuse reflectance imaging, based on small source-detector distance and high dynamic range measurements utilizing a fast-gated single-photon avalanche diode. The system is suitable for imaging of diffusive media without any contact with the sample and with a spatial resolution of about 1 cm at 1 cm depth. In order to objectively assess its performances, we adopted two standardized protocols developed for time-domain brain imagers. The related tests included the recording of the instrument response function of the setup and the responsivity of its detection system. Moreover, by using liquid turbid phantoms with absorbingmore » inclusions, depth-dependent contrast and contrast-to-noise ratio as well as lateral spatial resolution were measured. To illustrate the potentialities of the novel approach, the characteristics of the non-contact system are discussed and compared to those of a fiber-based brain imager.« less

Determination of diffusion coefficients of biocides on their passage through organic resin-based renders.

PubMed

Styszko, Katarzyna; Kupiec, Krzysztof

2016-10-01

In this study the diffusion coefficients of isoproturon, diuron and cybutryn in acrylate and silicone resin-based renders were determined. The diffusion coefficients were determined using measuring concentrations of biocides in the liquid phase after being in contact with renders for specific time intervals. The mathematical solution of the transient diffusion equation for an infinite plate contacted on one side with a limited volume of water was used to calculate the diffusion coefficient. The diffusion coefficients through the acrylate render were 8.10·10(-9) m(2) s(-1) for isoproturon, 1.96·10(-9) m(2) s(-1) for diuron and 1.53·10(-9) m(2) s(-1) for cybutryn. The results for the silicone render were lower by one order of magnitude. The compounds with a high diffusion coefficient for one polymer had likewise high values for the other polymer. Copyright © 2016 Elsevier Ltd. All rights reserved.

Different approach to the modeling of nonfree particle diffusion

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

The modulation of Schottky barriers of metal-MoS2 contacts via BN-MoS2 heterostructures.

PubMed

Su, Jie; Feng, Liping; Zhang, Yan; Liu, Zhengtang

2016-06-22

Using first-principles calculations within density functional theory, we systematically studied the effect of BN-MoS2 heterostructure on the Schottky barriers of metal-MoS2 contacts. Two types of FETs are designed according to the area of the BN-MoS2 heterostructure. Results show that the vertical and lateral Schottky barriers in all the studied contacts, irrespective of the work function of the metal, are significantly reduced or even vanish when the BN-MoS2 heterostructure substitutes the monolayer MoS2. Only the n-type lateral Schottky barrier of Au/BN-MoS2 contact relates to the area of the BN-MoS2 heterostructure. Notably, the Pt-MoS2 contact with n-type character is transformed into a p-type contact upon substituting the monolayer MoS2 by a BN-MoS2 heterostructure. These changes of the contact natures are ascribed to the variation of Fermi level pinning, work function and charge distribution. Analysis demonstrates that the Fermi level pinning effects are significantly weakened for metal/BN-MoS2 contacts because no gap states dominated by MoS2 are formed, in contrast to those of metal-MoS2 contacts. Although additional BN layers reduce the interlayer interaction and the work function of the metal, the Schottky barriers of metal/BN-MoS2 contacts still do not obey the Schottky-Mott rule. Moreover, different from metal-MoS2 contacts, the charges transfer from electrodes to the monolayer MoS2, resulting in an increment of the work function of these metals in metal/BN-MoS2 contacts. These findings may prove to be instrumental in the future design of new MoS2-based FETs with ohmic contact or p-type character.

Multifunctional reference electrode

DOEpatents

Redey, Laszlo; Vissers, Donald R.

1983-01-01

A multifunctional, low mass reference electrode of a nickel tube, thermocouple means inside the nickel tube electrically insulated therefrom for measuring the temperature thereof, a housing surrounding the nickel tube, an electrolyte having a fixed sulfide ion activity between the housing and the outer surface of the nickel tube forming the nickel/nickel sulfide/sulfide half-cell. An ion diffusion barrier is associated with the housing in contact with the electrolyte. Also disclosed is a cell using the reference electrode to measure characteristics of a working electrode.

Multifunctional reference electrode

DOEpatents

Redey, L.; Vissers, D.R.

1981-12-30

A multifunctional, low mass reference electrode of a nickel tube, thermocouple means inside the nickel tube electrically insulated therefrom for measuring the temperature thereof, a housing surrounding the nickel tube, an electrolyte having a fixed sulfide ion activity between the housing and the outer surface of the nickel tube forming the nickel/nickel sulfide/sulfide half-cell are described. An ion diffusion barrier is associated with the housing in contact with the electrolyte. Also disclosed is a cell using the reference electrode to measure characteristics of a working electrode.

Solar cell contacts

NASA Technical Reports Server (NTRS)

Meier, D. L.; Campbell, R. B.; Davis, J. R., Jr.; Rai-Choudhury, P.; Sienkiewicz, L. J.

1982-01-01

Two experimental contact systems were examined and compared to a baseline contact system consisting of evaporated layers of titanium, palladium, and silver and an electroplated layer of copper. The first experimental contact system consisted of evaporated layers of titanium, nickel, and copper and an electroplated layer of copper. This system performed as well as the baseline system in all respects, including its response to temperature stress tests, to a humidity test, and to an accelerated aging test. In addition, the cost of this system is estimated to be only 43 percent of the cost of the baseline system at a production level of 25 MW/year. The second experimental contact system consisted of evaporated layers of nickel and copper and an electroplated layer of copper. Cells with this system show serious degradation in a temperature stress test at 350 C for 30 minutes. Auger electron spectroscopy was used to show that the evaporated nickel layer is not an adequate barrier to copper diffusion even at temperatures as low as 250 C. This fact brings into question the long-term reliability of this contact system.

Method for fabricating solar cells having integrated collector grids

NASA Technical Reports Server (NTRS)

Evans, J. C., Jr. (Inventor)

1979-01-01

A heterojunction or Schottky barrier photovoltaic device comprising a conductive base metal layer compatible with and coating predominately the exposed surface of the p-type substrate of the device such that a back surface field region is formed at the interface between the device and the base metal layer, a transparent, conductive mixed metal oxide layer in integral contact with the n-type layer of the heterojunction or Schottky barrier device having a metal alloy grid network of the same metal elements of the oxide constituents of the mixed metal oxide layer embedded in the mixed metal oxide layer, an insulating layer which prevents electrical contact between the conductive metal base layer and the transparent, conductive metal oxide layer, and a metal contact means covering the insulating layer and in intimate contact with the metal grid network embedded in the transparent, conductive oxide layer for conducting electrons generated by the photovoltaic process from the device.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Hao; Materials Science Program, University of Wisconsin, Madison, Wisconsin 53706; Stewart, Derek A., E-mail: derek.stewart@hgst.com

Metal oxide resistive memory devices based on Ta{sub 2}O{sub 5} have demonstrated high switching speed, long endurance, and low set voltage. However, the physical origin of this improved performance is still unclear. Ta{sub 2}O{sub 5} 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 Ta{sub 2}O{sub 5}. Identified diffusion paths are associated with collective motion of neighboringmore » 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 Ta{sub 2}O{sub 5} is relatively small, our calculated low diffusion barriers can help explain the low set voltage in Ta{sub 2}O{sub 5} 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.« less

Two-dimensional enzyme diffusion in laterally confined DNA monolayers.

PubMed

Castronovo, Matteo; Lucesoli, Agnese; Parisse, Pietro; Kurnikova, Anastasia; Malhotra, Aseem; Grassi, Mario; Grassi, Gabriele; Scaggiante, Bruna; Casalis, Loredana; Scoles, Giacinto

2011-01-01

Addressing the effects of confinement and crowding on biomolecular function may provide insight into molecular mechanisms within living organisms, and may promote the development of novel biotechnology tools. Here, using molecular manipulation methods, we investigate restriction enzyme reactions with double-stranded (ds)DNA oligomers confined in relatively large (and flat) brushy matrices of monolayer patches of controlled, variable density. We show that enzymes from the contacting solution cannot access the dsDNAs from the top-matrix interface, and instead enter at the matrix sides to diffuse two-dimensionally in the gap between top- and bottom-matrix interfaces. This is achieved by limiting lateral access with a barrier made of high-density molecules that arrest enzyme diffusion. We put forward, as a possible explanation, a simple and general model that relates these data to the steric hindrance in the matrix, and we briefly discuss the implications and applications of this strikingly new phenomenon.

Flexible piezotronic strain sensor.

PubMed

Zhou, Jun; Gu, Yudong; Fei, Peng; Mai, Wenjie; Gao, Yifan; Yang, Rusen; Bao, Gang; Wang, Zhong Lin

2008-09-01

Strain sensors based on individual ZnO piezoelectric fine-wires (PFWs; nanowires, microwires) have been fabricated by a simple, reliable, and cost-effective technique. The electromechanical sensor device consists of a single electrically connected PFW that is placed on the outer surface of a flexible polystyrene (PS) substrate and bonded at its two ends. The entire device is fully packaged by a polydimethylsiloxane (PDMS) thin layer. The PFW has Schottky contacts at its two ends but with distinctly different barrier heights. The I- V characteristic is highly sensitive to strain mainly due to the change in Schottky barrier height (SBH), which scales linear with strain. The change in SBH is suggested owing to the strain induced band structure change and piezoelectric effect. The experimental data can be well-described by the thermionic emission-diffusion model. A gauge factor of as high as 1250 has been demonstrated, which is 25% higher than the best gauge factor demonstrated for carbon nanotubes. The strain sensor developed here has applications in strain and stress measurements in cell biology, biomedical sciences, MEMS devices, structure monitoring, and more.

Modeling the Impenetrable Barrier to Inward Transport of Ultra-relativistic Radiation Belt Electrons

NASA Astrophysics Data System (ADS)

Tu, W.; Cunningham, G.; Chen, Y.; Baker, D. N.; Henderson, M. G.; Reeves, G. D.

2014-12-01

It has long been considered that the inner edge of the Earth's outer radiation belt is closely correlated with the minimum plasmapause location. However, recent discoveries by Baker et al. [1] show that it is not the case for ultra-relativistic electrons (2-10 MeV) in the radiation belt. Based on almost two years of Van Allen Probes/REPT data, they find that the inner edge of highly relativistic electrons is rarely collocated with the plasmapause; and more interestingly, there is a clear, persistent, and nearly impenetrable barrier to inward transport of high energy electrons, observed to locate at L~2.8. The presence of such an impenetrable barrier at this very specific location poses a significant puzzle. Using our DREAM3D diffusion model, which includes radial, pitch angle, and momentum diffusion, we are able to simulate the observed impenetrable barrier of ultra-relativistic electrons. The simulation demonstrates that during strong geomagnetic storms the plasmapause can be compressed to very low L region (sometimes as low as L~3), then strong chorus waves just outside the plasmapause can locally accelerate electrons up to multiple-MeV; when storm recovers, plasmapause moves back to large L, while the highly-relativistic electrons generated at low L continue to diffuse inward and slow decay by pitch angle diffusion from plasmaspheric hiss. The delicate balance between slow inward radial diffusion and weak pitch angle scattering creates a fixed inner boundary or barrier for ultra-relativistic electrons. The barrier is found to locate at a fixed L location, independent of the initial penetration depth of electrons that is correlated with the plasmapause location. Our simulation results quantitatively reproduce the evolution of the flux versus L profile, the L location of the barrier, and the decay rate of highly energetic electrons right outside the barrier. 1Baker, D. N., et al. (2014), Nearly Impenetrable Barrier to Inward Ultra-relativistic Magnetospheric Electron Transport, submitted to Nature.

Experimental Design for Evaluation of Co-extruded Refractory Metal/Nickel Base Superalloy Joints

DOE Office of Scientific and Technical Information (OSTI.GOV)

ME Petrichek

2005-12-16

Prior to the restructuring of the Prometheus Program, the NRPCT was tasked with delivering a nuclear space reactor. Potential NRPCT nuclear space reactor designs for the Prometheus Project required dissimilar materials to be in contact with each other while operating at extreme temperatures under irradiation. As a result of the high reactor core temperatures, refractory metals were the primary candidates for many of the reactor structural and cladding components. They included the tantalum-base alloys ASTAR-811C and Ta-10W, the niobium-base alloy FS-85, and the molybdenum base alloys Moly 41-47.5 Rhenium. The refractory metals were to be joined to candidate nickel basemore » alloys such as Haynes 230, Alloy 617, or Nimonic PE 16 either within the core if the nickel-base alloys were ultimately selected to form the outer core barrel, or at a location exterior to the core if the nickel-base alloys were limited to components exterior to the core. To support the need for dissimilar metal joints in the Prometheus Project, a co-extrusion experiment was proposed. There are several potential methods for the formation of dissimilar metal joints, including explosive bonding, friction stir welding, plasma spray, inertia welding, HIP, and co-extrusion. Most of these joining methods are not viable options because they result in the immediate formation of brittle intermetallics. Upon cooling, intermetallics form in the weld fusion zone between the joined metals. Because brittle intermetallics do not form during the initial bonding process associated with HIP, co-extrusion, and explosive bonding, these three joining procedures are preferred for forming dissimilar metal joints. In reference to a Westinghouse Astronuclear Laboratory report done under a NASA sponsored program, joints that were fabricated between similar materials via explosive bonding had strengths that were directly affected by the width of the diffusion barrier. It was determined that the diffusion zone should not exceed a critical thickness (0.0005 in.). A diffusion barrier that exceeded this thickness would likely fail. The joint fabrication method must therefore mechanically bond the two materials causing little or no interdiffusion upon formation. Co-extrusion fits this description since it forms a mechanical joint between two materials by using heat and pressure. The two materials to be extruded are first assembled and sealed within a co-extrusion billet which is subsequently heated and then extruded through a die. For a production application, once the joint is formed, it is dejacketed to remove the outer canister. The remaining piece consists of two materials bonded together with a thin diffusion barrier. Therefore, the long-term stability of the joint is determined primarily by the kinetics of interdiffusion reaction between the two materials. An experimental design for co-extrusion of refractory metals and nickel-based superalloys was developed to evaluate this joining process and determine the long-term stability of the joints.« less

An Ab Initio and Kinetic Monte Carlo Simulation Study of Lithium Ion Diffusion on Graphene

PubMed Central

Zhong, Kehua; Yang, Yanmin; Xu, Guigui; Zhang, Jian-Min; Huang, Zhigao

2017-01-01

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. PMID:28773122

Use of separate ZnTe interface layers to form ohmic contacts to p-CdTe films

DOEpatents

Gessert, T.A.

1999-06-01

A method of is disclosed improving electrical contact to a thin film of a p-type tellurium-containing II-VI semiconductor comprising: depositing a first undoped layer of ZnTe on a thin film of p-type tellurium containing II-VI semiconductor with material properties selected to limit the formation of potential barriers at the interface between the p-CdTe and the undoped layer, to a thickness sufficient to control diffusion of the metallic-doped ZnTe into the p-type tellurium-containing II-VI semiconductor, but thin enough to minimize affects of series resistance; depositing a second heavy doped p-type ZnTe layer to the first layer using an appropriate dopant; and depositing an appropriate metal onto the outer-most surface of the doped ZnTe layer for connecting an external electrical conductor to an ohmic contact. 11 figs.

Use of separate ZnTe interface layers to form OHMIC contacts to p-CdTe films

DOEpatents

Gessert, Timothy A.

1999-01-01

A method of improving electrical contact to a thin film of a p-type tellurium-containing II-VI semiconductor comprising: depositing a first undoped layer of ZnTe on a thin film of p-type tellurium containing II-VI semiconductor with material properties selected to limit the formation of potential barriers at the interface between the p-CdTe and the undoped layer, to a thickness sufficient to control diffusion of the metallic-doped ZnTe into the p-type tellurim-containing II-VI semiconductor, but thin enough to minimize affects of series resistance; depositing a second heavy doped p-type ZnTe layer to the first layer using an appropriate dopant; and depositing an appropriate metal onto the outer-most surface of the doped ZnTe layer for connecting an external electrical conductor to an ohmic contact.

Study of molybdenum-aluminum interdiffusion kinetics and contact resistance for VLSI applications

NASA Astrophysics Data System (ADS)

Singh, R. N.; Brown, D. M.; Kim, M. J.; Smith, G. A.

1985-12-01

Interdiffusion barrier characteristics of molybdenum thin film with aluminum-1% Si is studied between 733 and 763 K via sheet and contact resistance measurements, Rutherford backscattering spectrometry, secondary ion mass spectrometry, and x-ray diffraction analysis. The results indicate that thermal annealing of Mo/Al-1% Si thin film couples leads to MoAl12 compound formation initially as a nonplanar front, but extensive annealing results in complete transformation of Al-1% Si to MoAl12 and a significant increase in contact resistance. The interdiffusion kinetics is diffusion controlled and shows parabolic time dependence, incubation periods, and extremely high activation energy value of 5.9 eV. The incubation periods and an high activation energy values are explained by the presence of silicon precipitates at the Mo/Al-1% Si interface. Implications of these observations to VLSI device characteristics are discussed and a safe time-temperature processing regime is proposed.

A lateral-type spin-photodiode based on Fe/x-AlOx/p-InGaAs junctions with a refracting-facet side window

NASA Astrophysics Data System (ADS)

Roca, Ronel Christian; Nishizawa, Nozomi; Nishibayashi, Kazuhiro; Munekata, Hiro

2018-06-01

A lateral-type spin-photodiode having a refracting facet on a side edge of the device is proposed and demonstrated at room temperature. The light shed horizontally on the side of the device is refracted and introduced directly into a thin InGaAs active layer under the spin-detecting Fe contact in which spin-polarized carriers are generated and injected into the Fe contact through a crystalline AlOx tunnel barrier. Experiments have been carried out with a circular polarization spectrometry set up, through which the helicity-dependent photocurrent component, ΔI, is obtained with the conversion efficiency F ≈ 0.4%, where F is the ratio between ΔI and total photocurrent Iph. This value is the highest reported so far for pure lateral-type spin-photodiodes. It is discussed through the analysis with a model consisting of drift-diffusion and quantum tunneling equations that a factor that limits the F value is unoccupied spin-polarized density-of-states of Fe in energy region into which the spin-polarized electrons in a semiconductor are injected.

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

PubMed

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.

Amorphous semiconductor solar cell

DOEpatents

Dalal, Vikram L.

1981-01-01

A solar cell comprising a back electrical contact, amorphous silicon semiconductor base and junction layers and a top electrical contact includes in its manufacture the step of heat treating the physical junction between the base layer and junction layer to diffuse the dopant species at the physical junction into the base layer.

Novel Sn-Based Contact Structure for GeTe Phase Change Materials.

PubMed

Simchi, Hamed; Cooley, Kayla A; Ding, Zelong; Molina, Alex; Mohney, Suzanne E

2018-05-16

Germanium telluride (GeTe) is a phase change material (PCM) that has gained recent attention because of its incorporation as an active material for radio frequency (RF) switches, as well as memory and novel optoelectronic devices. Considering PCM-based RF switches, parasitic resistances from Ohmic contacts can be a limiting factor in device performance. Reduction of the contact resistance ( R c ) is therefore critical for reducing the on-state resistance to meet the requirements of high-frequency RF applications. To engineer the Schottky barrier between the metal contact and GeTe, Sn was tested as an interesting candidate to alter the composition of the semiconductor near its surface, potentially forming a narrow band gap (0.2 eV) SnTe or a graded alloy with SnTe in GeTe. For this purpose, a novel contact stack of Sn/Fe/Au was employed and compared to a conventional Ti/Pt/Au stack. Two different premetallization surface treatments of HCl and deionized (DI) H 2 O were employed to make a Te-rich and Ge-rich interface, respectively. Contact resistance values were extracted using the refined transfer length method. The best results were obtained with DI H 2 O for the Sn-based contacts but HCl treatment for the Ti/Pt/Au contacts. The as-deposited contacts had the R c (ρ c ) of 0.006 Ω·mm (8 × 10 -9 Ω·cm 2 ) for Sn/Fe/Au and 0.010 Ω·mm (3 × 10 -8 Ω·cm 2 ) for Ti/Pt/Au. However, the Sn/Fe/Au contacts were thermally stable, and their resistance decreased further to 0.004 Ω·mm (4 × 10 -9 Ω·cm 2 ) after annealing at 200 °C. In contrast, the contact resistance of the Ti/Pt/Au stack increased to 0.012 Ω·mm (4 × 10 -8 Ω·cm 2 ). Transmission electron microscopy was used to characterize the interfacial reactions between the metals and GeTe. It was found that formation of SnTe at the interface, in addition to Fe diffusion (doping) into GeTe, is likely responsible for the superior performance of Sn/Fe/Au contacts, resulting in one of the lowest reported contact resistances on GeTe.

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

NASA Astrophysics Data System (ADS)

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).

[Diffusion and diffusion-osmosis models of the charged macromolecule transfer in barriers of biosystems].

PubMed

Varakin, A I; Mazur, V V; Arkhipova, N V; Serianov, Iu V

2009-01-01

Mathematical models of the transfer of charged macromolecules have been constructed on the basis of the classical equations of electromigration diffusion of Helmholtz-Smolukhovskii, Goldman, and Goldman-Hodgkin-Katz. It was shown that ion transfer in placental (mimicking lipid-protein barriers) and muscle barriers occurs by different mechanisms. In placental barriers, the electromigration diffusion occurs along lipid-protein channels formed due to the conformational deformation of phospholipid and protein molecules with the coefficients of diffusion D = (2.6-3.6) x 10(-8) cm2/s. The transfer in muscle barriers is due to the migration across charged interfibrillar channels with the negative diffusion activation energy, which is explained by changes in the structure of muscle fibers and expenditures of thermal energy for the extrusion of Cl- from channel walls with the diffusion coefficient D = (6.0-10.0) x 10(-6) cm2/s.

Insights into the role of wettability in cathode catalyst layer of proton exchange membrane fuel cell; pore scale immiscible flow and transport processes

NASA Astrophysics Data System (ADS)

Fathi, H.; Raoof, A.; Mansouri, S. H.

2017-05-01

The production of liquid water in cathode catalyst layer, CCL, is a significant barrier to increase the efficiency of proton exchange membrane fuel cell. Here we present, for the first time, a direct three-dimensional pore-scale modelling to look at the complex immiscible two-phase flow in CCL. After production of the liquid water at the surface of CCL agglomerates due to the electrochemical reactions, water spatial distribution affects transport of oxygen through the CCL as well as the rate of reaction at the agglomerate surfaces. To explore the wettability effects, we apply hydrophilic and hydrophobic properties using different surface contact angles. Effective diffusivity is calculated under several water saturation levels. Results indicate larger diffusive transport values for hydrophilic domain compared to the hydrophobic media where the liquid water preferentially floods the larger pores. However, hydrophobic domain showed more available surface area and higher oxygen consumption rate at the reaction sites under various saturation levels, which is explained by the effect of wettability on pore-scale distribution of water. Hydrophobic domain, with a contact angle of 150, reveals efficient water removal where only 28% of the pore space stays saturated. This condition contributes to the enhanced available reaction surface area and oxygen diffusivity.

Tritium permeation through austenitic stainless steel with chemically densified coating as a tritium permeation barrier

NASA Astrophysics Data System (ADS)

Terai, Takayuki; Yoneoka, Toshiaki; Tanaka, Hirohisa; Kawamura, Hiroshi; Nakamichi, Masaru; Miyajima, Kiyoshi

1994-09-01

Chemically densified coating formed on the surface of austenitic stainless steel (SUS 316) was examined for compatibility with molten lithium-lead eutectic alloy (Li17Pb83) and tritium permeability. The chemically densified coating (CDC) consisting of SiO 2 particles and a Cr 2O 3 matrix with a thickness of 60 μm was unstable in contact with the molten alloy as predicted from a thermodynamic calculation at 600°C, and it was degraded in several days. In an in-pile experiment, specimens with the coating on the front surface or the rear surface were immersed in Li17Pb83 molten alloy, and their tritium permeabilities were measured. The permeability of the former was reduced to {1}/{10} of the ideal value in the diffusion-limited case, while that of the latter was less than {1}/{100} of the diffusion-limited value even in a pure H 2 atmosphere. It is concluded that CDC is quite effective to reduce tritium permeability in the condition of not contacting molten Li17Pb83 alloy.

Performance of a contact textile-based light diffuser for photodynamic therapy.

PubMed

Khan, Tania; Unternährer, Merthan; Buchholz, Julia; Kaser-Hotz, Barbara; Selm, Bärbel; Rothmaier, Markus; Walt, Heinrich

2006-03-01

Medical textiles offer a unique contact opportunity that could provide value-added comfort, reliability, and safety for light or laser-based applications. We investigated a luminous textile diffuser for use in photodynamic therapy. Textile diffusers are produced by an embroidery process. Plastic optical fibers are bent and sewn into textile to release light by macrobending. A reflective backing is incorporated to improve surface homogeneity, intensity, and safety. Clonogenic assay (MCF-7 cells) and trypan blue exclusion (NuTu19 cells) tests were performed in vitro using 0.1μg/ml m-THPC with three textile diffusers and a standard front lens diffuser. Heating effects were studied in solution and on human skin. PDT application in vivo was performed with the textile diffuser on equine sarcoids (three animals, 50mW/cm(2), 10-20J) and eight research animals. Lastly, computer simulations were performed to see how the textile diffuser might work on a curved object. At low fluency rate, there is a trend for the textile diffuser to have lower survival rates than the front lens diffuser for both cell lines. The textile diffuser was observed to retain more heat over a long period (>1min). All animals tolerated the treatments well and showed similar initial reactions. The simulations showed a likely focusing effect in a curved geometry. The initial feasibility and application using a textile-based optical diffuser has been demonstrated. Possibilities that provide additional practical advantages of the textile diffuser are discussed.

Hydrogen-permeable composite metal membrane and uses thereof

DOEpatents

Edlund, D.J.; Friesen, D.T.

1993-06-08

Various hydrogen production and hydrogen sulfide decomposition processes are disclosed that utilize composite metal membranes that contain an intermetallic diffusion barrier separating a hydrogen-permeable base metal and a hydrogen-permeable coating metal. The barrier is a thermally stable inorganic proton conductor.

Theoretical study on the sound absorption of electrolytic solutions. I. Theoretical formulation.

PubMed

Yamaguchi, T; Matsuoka, T; Koda, S

2007-04-14

A theory is formulated that describes the sound absorption of electrolytic solutions due to the relative motion of ions, including the formation of ion pairs. The theory is based on the Kubo-Green formula for the bulk viscosity. The time correlation function of the pressure is projected onto the bilinear product of the density modes of ions. The time development of the product of density modes is described by the diffusive limit of the generalized Langevin equation, and approximate expressions for the three- and four-body correlation functions required are given with the hypernetted-chain integral equation theory. Calculations on the aqueous solutions of model electrolytes are performed. It is demonstrated that the theory describes both the activated barrier crossing between contact and solvent-separated ion pairs and the Coulombic correlation between ions.

Theoretical study on the sound absorption of electrolytic solutions. I. Theoretical formulation

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Matsuoka, T.; Koda, S.

2007-04-01

A theory is formulated that describes the sound absorption of electrolytic solutions due to the relative motion of ions, including the formation of ion pairs. The theory is based on the Kubo-Green formula for the bulk viscosity. The time correlation function of the pressure is projected onto the bilinear product of the density modes of ions. The time development of the product of density modes is described by the diffusive limit of the generalized Langevin equation, and approximate expressions for the three- and four-body correlation functions required are given with the hypernetted-chain integral equation theory. Calculations on the aqueous solutions of model electrolytes are performed. It is demonstrated that the theory describes both the activated barrier crossing between contact and solvent-separated ion pairs and the Coulombic correlation between ions.

An all-carbon vdW heterojunction composed of penta-graphene and graphene: Tuning the Schottky barrier by electrostatic gating or nitrogen doping

NASA Astrophysics Data System (ADS)

Guo, Yaguang; Wang, Fancy Qian; Wang, Qian

2017-08-01

The non-zero band gap together with other unique properties endows penta-graphene with potential for device applications. Here, we study the performance of penta-graphene as the channel material contacting with graphene to form a van der Waals heterostructure. Based on first-principles calculations, we show that the intrinsic properties of penta-graphene are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The stacked system forms an n-type Schottky barrier (Φe) at the vertical interface, while a negative band bending occurs at the lateral interface in a current-in-plane model. From the device point of view, we further demonstrate that a low-Φe or an Ohmic contact can be realized by applying an external electric field or doping graphene with nitrogen atoms. This allows the control of the Schottky barrier height, which is essential in fabricating penta-graphene-based nanotransistors.

Performance improvement induced by asymmetric Y2O3-coated device structure to carbon-nanotube-film based photodetectors

NASA Astrophysics Data System (ADS)

Wang, Fanglin; Xu, Haitao; Huang, Huixin; Ma, Ze; Wang, Sheng; Peng, Lian-Mao

2017-11-01

Film-based semiconducting carbon nanotube (CNT) photodetectors are promising candidates for industrial applications. However, unintentional doping from the environment such as water/oxygen (H2O/O2) redox, polymers, etc. changes the doping level of the CNT film. Here, we evaluate the performance of film-based barrier-free bipolar diodes (BFBDs), which are basically semiconducting CNT films asymmetrically contacted by perfect n-type ohmic contact (scandium, Sc) and p-type ohmic contact (palladium, Pd) at the two ends of the diode. We show that normal BFBD devices have large variances of forward current, reverse current, and photocurrent for different doping levels of the channel. We propose an asymmetric Y2O3-coated BFBD device in which the channel is covered by a layer of an Y2O3 film and an overlap between the Sc electrode and the Y2O3 film is designed. The Y2O3 film provides p-type doping to the channel. The overlap section increases the length of the base of the pn junction, and the diffusion current of holes is suppressed. In this way, the rectifier factors (current ratio when voltages are at +0.5 V and -0.5 V) of the asymmetric Y2O3-coated BFBD devices are around two orders of magnitude larger and the photocurrent generation is more stable compared to that of normal devices. Our results provide a way to conquer the influence of unintentional doping from the environment and suppress reverse current in pn diodes. This is beneficial to applications of CNT-based photodetectors and of importance for inspiring methods to improve the performances of devices based on other low dimensional materials.

Controlled growth of vertically aligned carbon nanotubes on metal substrates

NASA Astrophysics Data System (ADS)

Gao, Zhaoli

Carbon nanotube (CNT) is a fascinating material with extraordinary electrical thermal and mechanical properties. Growing vertically aligned CNT (VACNT) arrays on metal substrates is an important step in bringing CNT into practical applications such as thermal interface materials (TIMs) and microelectrodes. However, the growth process is challenging due to the difficulties in preventing catalyst diffusion and controlling catalyst dewetting on metal substrates with physical surface heterogeneity. In this work, the catalyst diffusion mechanism and catalyst dewetting theory were studied for the controlled growth of VACNTs on metal substrates. The diffusion time of the catalyst, the diffusion coefficients for the catalyst in the substrate materials and the number density of catalyst nanoparticles after dewetting are identified as the key parameters, based on which three strategies are developed. Firstly, a fast-heating catalyst pretreatment strategy was used, aiming at preserving the amount of catalyst prior to CNT growth by reducing the catalyst diffusion time. The catalyst lifetime is extended from half an hour to one hour on a patterned Al thin film and a VACNT height of 106 mum, about twenty fold of that reported in the literature, was attained. Secondly, a diffusion barrier layer strategy is employed for a reduction of catalyst diffusion into the substrate materials. Enhancement of VACNT growth on Cu substrates was achieved by adopting a conformal Al2O 3 diffusion barrier layer fabricated by a specially designed atomic layer deposition (ALD) system. Lastly, a novel catalyst glancing angle deposition (GLAD) strategy is performed to manipulate the morphology of a relatively thick catalyst on metal substrates with physical surface heterogeneity, aiming to obtain uniform and dense catalyst nanoparticles after dewetting in the pretreatment process for enhanced VACNT growth. We are able to control the VACNT growth conditions on metal substrates in terms of their distribution, heights and alignments. Catalyst loss is controlled by the catalyst diffusion time and catalyst diffusion coefficients. A shorter catalyst diffusion time and smaller diffusion coefficient enhance VACNT growth on metals due to reduced catalyst loss during the pretreatment process. The dewetting behaviors of the thin film catalysts are influenced by the physical surface heterogeneity of the substrates which leads to non-uniform growth of VACNTs. The GLAD process facilitates the deposition of a relatively thick catalyst layer for the creation of dense and uniform catalyst nanoparticles. Applications of VACNT-metal structures in TIMs and microelectrodes are demonstrated. The VACNT-TIMs fabricated on Al alloy substrates have a typical thermal contact resistivity of 17.1 mm2˙K/W and their effective application in high-brightness LED thermal management was demonstrated. Electrochemical characterization was carried out on VACNT microelectrodes for the development of high resolution retinal prostheses and a satisfactory electrochemical property was again demonstrated.

Investigation of titanium-nitride layers for solar-cell contacts

NASA Technical Reports Server (NTRS)

Von Seefeld, H.; Cheung, N. W.; Nicolet, M.-A.; Maenpaa, M.

1980-01-01

Reactively sputtered titanium-nitride layers have been incorporated as diffusion barriers in a titanium-silver metallization scheme on silicon. Backscattering analysis (2-MeV He/+/, RBS) indicates that the integrity of the system is basically preserved during annealing at 600 C for 10 min. Electrical properties were determined for titanium-nitride layers prepared under different deposition conditions. Resistivity and Hall mobility appear to depend on the oxygen contamination of the deposited material. For the lowest oxygen concentration (less than 5 at %) a resistivity of 170 microohms/cm has been found.

Feasibility study of tungsten as a diffusion barrier between nickel-chromium-aluminum and Gamma/Gamma prime - Delta eutectic alloys

NASA Technical Reports Server (NTRS)

Young, S. G.; Zellars, G. R.

1978-01-01

Coating systems proposed for potential use on eutectic alloy components in high-temperature gas turbine engines were studied with emphasis on deterioration of such systems by diffusion. A 1-mil thick W sheet was placed between eutectic alloys and a NiCrAl layer. Layered test specimens were aged at 1100 C for as long as long as 500 hours. Without the W barrier, the delta phase of the eutectic deteriorated by diffusion of Nb into the NiCrAl. Insertion of the W barrier stopped the diffusion of Nb from delta. Chromium diffusion from the NiCrAl into the gamma/gamma prime phase of the eutectic was greatly reduced by the barrier. However, the barrier thickness decreased with time; and W diffused into both the NiCrAl and the eutectic. When the delta platelets were alined parallel to the NiCrAl layer, rather than perpendicular, diffusion into the eutectic was reduced.

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

NASA Astrophysics Data System (ADS)

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.

Diffusion properties of molecules at the blood-brain interface: potential contributions of astrocyte endfeet to diffusion barrier functions.

PubMed

Nuriya, Mutsuo; Shinotsuka, Takanori; Yasui, Masato

2013-09-01

Molecular diffusion in the extracellular space (ECS) plays a key role in determining tissue physiology and pharmacology. The blood-brain barrier regulates the exchange of substances between the brain and the blood, but the diffusion properties of molecules at this blood-brain interface, particularly around the astrocyte endfeet, are poorly characterized. In this study, we used 2-photon microscopy and acute brain slices of mouse neocortex and directly assessed the diffusion patterns of fluorescent molecules. By observing the diffusion of unconjugated and 10-kDa dextran-conjugated Alexa Fluor 488 from the ECS of the brain parenchyma to the blood vessels, we find various degrees of diffusion barriers at the endfeet: Some allow the invasion of dye inside the endfoot network while others completely block it. Detailed analyses of the time course for dye clearance support the existence of a tight endfoot network capable of acting as a diffusion barrier. Finally, we show that this diffusion pattern collapses under pathological conditions. These data demonstrate the heterogeneous nature of molecular diffusion dynamics around the endfeet and suggest that these structures can serve as the diffusion barrier. Therefore, astrocyte endfeet may add another layer of regulation to the exchange of molecules between blood vessels and brain parenchyma.

Novel p-Type Conductive Semiconductor Nanocrystalline Film as the Back Electrode for High-Performance Thin Film Solar Cells.

PubMed

Zhang, Ming-Jian; Lin, Qinxian; Yang, Xiaoyang; Mei, Zongwei; Liang, Jun; Lin, Yuan; Pan, Feng

2016-02-10

Thin film solar cells, due to the low cost, high efficiency, long-term stability, and consumer applications, have been widely applied for harvesting green energy. All of these thin film solar cells generally adopt various metal thin films as the back electrode, like Mo, Au, Ni, Ag, Al, graphite, and so forth. When they contact with p-type layer, it always produces a Schottky contact with a high contact potential barrier, which greatly affects the cell performance. In this work, we report for the first time to find an appropriate p-type conductive semiconductor film, digenite Cu9S5 nanocrystalline film, as the back electrode for CdTe solar cells as the model device. Its low sheet resistance (16.6 Ω/sq) could compare to that of the commercial TCO films (6-30 Ω/sq), like FTO, ITO, and AZO. Different from the traditonal metal back electrode, it produces a successive gradient-doping region by the controllable Cu diffusion, which greatly reduces the contact potential barrier. Remarkably, it achieved a comparable power conversion efficiency (PCE, 11.3%) with the traditional metal back electrode (Cu/Au thin films, 11.4%) in CdTe cells and a higher PCE (13.8%) with the help of the Au assistant film. We believe it could also act as the back electrode for other thin film solar cells (α-Si, CuInS2, CIGSe, CZTS, etc.), for their performance improvement.

The influence of thermal annealing on the characteristics of Au/Ni Schottky contacts on n-type 4 H-SiC

NASA Astrophysics Data System (ADS)

Omotoso, E.; Auret, F. D.; Igumbor, E.; Tunhuma, S. M.; Danga, H. T.; Ngoepe, P. N. M.; Taleatu, B. A.; Meyer, W. E.

2018-05-01

The effects of isochronal annealing on the electrical, morphological and structural characteristics of Au/Ni/4 H-SiC Schottky barrier diodes (SBDs) have been studied. Current-voltage ( I- V), capacitance-voltage ( C- V), deep-level transient spectroscopy, scanning electron microscope (SEM) and X-ray diffraction measurements were employed to study the thermal effect on the characteristics of the SBDs. Prior to thermal annealing of Schottky contacts, the I- V measurements results confirmed the good rectification behaviour with ideality factor of 1.06, Schottky barrier height of 1.20 eV and series resistance of 7 Ω. The rectification properties after annealing was maintained up to an annealing temperature of 500 °C, but deviated slightly above 500 °C. The uncompensated ionized donor concentration decreased with annealing temperature, which could be attributed to out-diffusion of the 4 H-SiC into the Au/Ni contacts and decrease in bonding due to formation of nickel silicides. We observed the presence of four deep-level defects with energies 0.09, 0.11, 0.16 and 0.65 eV below the conduction band before and after the isochronal annealing up to 600 °C. The conclusion drawn was that annealing did not affect the number of deep-level defects present in Au/Ni/4 H-SiC contacts. The variations in electrical properties of the devices were attributed to the phase transformations and interfacial reactions that occurred after isochronal annealing.

Lifetime of Major Histocompatibility Complex Class-I Membrane Clusters Is Controlled by the Actin Cytoskeleton

PubMed Central

Lavi, Yael; Gov, Nir; Edidin, Michael; Gheber, Levi A.

2012-01-01

Lateral heterogeneity of cell membranes has been demonstrated in numerous studies showing anomalous diffusion of membrane proteins; it has been explained by models and experiments suggesting dynamic barriers to free diffusion, that temporarily confine membrane proteins into microscopic patches. This picture, however, comes short of explaining a steady-state patchy distribution of proteins, in face of the transient opening of the barriers. In our previous work we directly imaged persistent clusters of MHC-I, a type I transmembrane protein, and proposed a model of a dynamic equilibrium between proteins newly delivered to the cell surface by vesicle traffic, temporary confinement by dynamic barriers to lateral diffusion, and dispersion of the clusters by diffusion over the dynamic barriers. Our model predicted that the clusters are dynamic, appearing when an exocytic vesicle fuses with the plasma membrane and dispersing with a typical lifetime that depends on lateral diffusion and the dynamics of barriers. In a subsequent work, we showed this to be the case. Here we test another prediction of the model, and show that changing the stability of actin barriers to lateral diffusion changes cluster lifetimes. We also develop a model for the distribution of cluster lifetimes, consistent with the function of barriers to lateral diffusion in maintaining MHC-I clusters. PMID:22500754

Contact doping, Klein tunneling, and asymmetry of shot noise in suspended graphene

NASA Astrophysics Data System (ADS)

Laitinen, Antti; Paraoanu, G. S.; Oksanen, Mika; Craciun, Monica F.; Russo, Saverio; Sonin, Edouard; Hakonen, Pertti

2016-01-01

The inherent asymmetry of the electric transport in graphene is attributed to Klein tunneling across barriers defined by p n interfaces between positively and negatively charged regions. By combining conductance and shot noise experiments, we determine the main characteristics of the tunneling barrier (height and slope) in a high-quality suspended sample with Au/Cr/Au contacts. We observe an asymmetric resistance Rodd=100 -70 Ω across the Dirac point of the suspended graphene at carrier density | nG|=(0.3 -4 ) × 1011cm-2 , while the Fano factor displays a nonmonotonic asymmetry in the range Fodd˜0.03 -0.1. Our findings agree with analytical calculations based on the Dirac equation with a trapezoidal barrier. Comparison between the model and the data yields the barrier height for tunneling, an estimate of the thickness of the p n interface d <20 nm, and the contact region doping corresponding to a Fermi level offset of ˜-18 meV. The strength of pinning of the Fermi level under the metallic contact is characterized in terms of the contact capacitance Cc=19 ×10-6 F/cm2 . Additionally, we show that the gate voltage corresponding to the Dirac point is given by the difference in work functions between the backgate material and graphene.

On the cause of the flat-spot phenomenon observed in silicon solar cells at low temperatures and low intensities

NASA Technical Reports Server (NTRS)

Weizer, V. G.; Broder, J. D.; Brandhorst, H. W., Jr.; Forestieri, A. F.

1982-01-01

A model is presented that explains the "flat-spot" (FS) power loss phenomenon observed in silicon solar cells operating deep space (low temperature, low intensity) conditions. Evidence is presented suggesting that the effect is due to localized metallurgical interactions between the silicon substrate and the contact metallization. These reactions are shown to result in localized regions in which the PN junction is destroyed and replaced with a metal-semiconductor-like interface. The effects of thermal treatment, crystallographic orientation, junction depth, and metallurization are presented along with a method of preventing the effect through the suppression of vacancy formation at the free surface of the contact metallization. Preliminary data indicating the effectiveness of a TiN diffusion barrier in preventing the effect are also given.

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

DOEpatents

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.

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

DOEpatents

Lessing, Paul A.

2004-09-07

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.

Detection of fractional solitons in quantum spin Hall systems

NASA Astrophysics Data System (ADS)

Fleckenstein, C.; Traverso Ziani, N.; Trauzettel, B.

2018-03-01

We propose two experimental setups that allow for the implementation and the detection of fractional solitons of the Goldstone-Wilczek type. The first setup is based on two magnetic barriers at the edge of a quantum spin Hall system for generating the fractional soliton. If then a quantum point contact is created with the other edge, the linear conductance shows evidence of the fractional soliton. The second setup consists of a single magnetic barrier covering both edges and implementing a long quantum point contact. In this case, the fractional soliton can unambiguously be detected as a dip in the conductance without the need to control the magnetization of the barrier.

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

PubMed Central

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. PMID:25520602

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

PubMed

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.

Tuning the electronic properties and Schottky barrier height of the vertical graphene/MoS2 heterostructure by an electric gating

NASA Astrophysics Data System (ADS)

Nguyen, Chuong V.

2018-04-01

In this paper, the electronic properties and Schottky contact in graphene/MoS2 (G/MoS2) heterostructure under an applied electric field are investigated by means of the density functional theory. It can be seen that the electronic properties of the G/MoS2 heterostructure are preserved upon contacting owing to the weak van der Waals interaction. We found that the n-type Schottky contact is formed in the G/MoS2 heterostructure with the Schottky barrier height of 0.49 eV. Furthermore, both Schottky contact and Schottky barrier height in the G/MoS2 heterostructure could be controlled by the applied electric field. If a positive electric field of 4 V/nm is applied to the system, a transformation from the n-type Schottky contact to the p-type one was observed, whereas the system keeps an n-type Schottky contact when a negative electric field is applied. Our results may provide helpful information to design, fabricate, and understand the physics mechanism in the graphene-based two-dimensional van der Waals heterostructures like as G/MoS2 heterostructure.

Diffusion of Antimicrobials Across Silicone Hydrogel Contact Lenses

PubMed Central

Zambelli, Alison M.; Brothers, Kimberly M.; Hunt, Kristin M.; Romanowski, Eric G.; Nau, Amy C.; Dhaliwal, Deepinder K.; Shanks, Robert M. Q.

2014-01-01

Objectives To measure the diffusion of topical preparations of moxifloxacin, amphotericin B (AmB), and polyhexamethylene biguanide (PHMB) through silicone hydrogel (SH) contact lenses in vitro. Methods Using an in vitro model, the diffusion of three antimicrobials through SH contact lenses was measured. Diffused compounds were measured using a spectrophotometer at set time points over a period of four hours. The amount of each diffused antimicrobial was determined by comparing the experimental value to a standard curve. A biological assay was performed to validate the contact lens diffusion assay by testing antimicrobial activity of diffused material against lawns of susceptible bacteria (Staphylococcus epidermidis) and yeast (Saccharomyces cerevisiae). Experiments were repeated at least two times with a total of at least 4 independent replicates. Results Our data show detectable moxifloxacin and PHMB diffusion through SH contact lenses at 30 minutes, while amphotericin B diffusion remained below the limit of detection within the 4 hour experimental period. In the biological assay, diffused moxifloxacin demonstrated microbial killing starting at 20 minutes on bacterial lawns, whereas PHMB and amphotericin B failed to demonstrate killing on microbial lawns over the course of the 60 minute experiment. Conclusions In vitro diffusion assays demonstrate limited penetration of certain anti-infective agents through silicone hydrogel contact lenses. Further studies regarding the clinical benefit of using these agents along with bandage contact lens use for corneal pathology are warranted. PMID:25806673

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

NASA Astrophysics Data System (ADS)

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.

Restricted ADP movement in cardiomyocytes: Cytosolic diffusion obstacles are complemented with a small number of open mitochondrial voltage-dependent anion channels.

PubMed

Simson, Päivo; Jepihhina, Natalja; Laasmaa, Martin; Peterson, Pearu; Birkedal, Rikke; Vendelin, Marko

2016-08-01

Adequate intracellular energy transfer is crucial for proper cardiac function. In energy starved failing hearts, partial restoration of energy transfer can rescue mechanical performance. There are two types of diffusion obstacles that interfere with energy transfer from mitochondria to ATPases: mitochondrial outer membrane (MOM) with voltage-dependent anion channel (VDAC) permeable to small hydrophilic molecules and cytoplasmatic diffusion barriers grouping ATP-producers and -consumers. So far, there is no method developed to clearly distinguish the contributions of cytoplasmatic barriers and MOM to the overall diffusion restriction. Furthermore, the number of open VDACs in vivo remains unknown. The aim of this work was to establish the partitioning of intracellular diffusion obstacles in cardiomyocytes. We studied the response of mitochondrial oxidative phosphorylation of permeabilized rat cardiomyocytes to changes in extracellular ADP by recording 3D image stacks of NADH autofluorescence. Using cell-specific mathematical models, we determined the permeability of MOM and cytoplasmatic barriers. We found that only ~2% of VDACs are accessible to cytosolic ADP and cytoplasmatic diffusion barriers reduce the apparent diffusion coefficient by 6-10×. In cardiomyocytes, diffusion barriers in the cytoplasm and by the MOM restrict ADP/ATP diffusion to similar extents suggesting a major role of both barriers in energy transfer and other intracellular processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Radon Diffusion Measurement in Polyethylene based on Alpha Detection

NASA Astrophysics Data System (ADS)

Rau, Wolfgang

2011-04-01

We present a method to measure the diffusion of Radon in solid materials based on the alpha decay of the radon daughter products. In contrast to usual diffusion measurements which detect the radon that penetrates a thin barrier, we let the radon diffuse into the material and then measure the alpha decays of the radon daughter products in the material. We applied this method to regular and ultra high molecular weight poly ethylene and find diffusion lengths of order of mm as expected. However, the preliminary analysis shows significant differences between two different approaches we have chosen. These differences may be explained by the different experimental conditions.

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

NASA Technical Reports Server (NTRS)

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.

Numerical and experimental investigation of GaN-based flip-chip light-emitting diodes with highly reflective Ag/TiW and ITO/DBR Ohmic contacts.

PubMed

Zhou, Shengjun; Liu, Xingtong; Gao, Yilin; Liu, Yingce; Liu, Mengling; Liu, Zongyuan; Gui, Chengqun; Liu, Sheng

2017-10-30

We demonstrate two types of GaN-based flip-chip light-emitting diodes (FCLEDs) with highly reflective Ag/TiW and indium-tin oxide (ITO)/distributed Bragg reflector (DBR) p-type Ohmic contacts. We show that a direct Ohmic contact to p-GaN layer using pure Ag is obtained when annealed at 600°C in N 2 ambient. A TiW diffusion barrier layer covered onto Ag is used to suppress the agglomeration of Ag and thus maintain high reflectance of Ag during high temperature annealing process. We develop a strip-shaped SiO 2 current blocking layer beneath the ITO/DBR to alleviate current crowding occurring in FCLED with ITO/DBR. Owing to negligibly small spreading resistance of Ag, however, our combined numerical and experimental results show that the FCLED with Ag/TiW has a more favorable current spreading uniformity in comparison to the FCLED with ITO/DBR. As a result, the light output power of FCLED with Ag/TiW is 7.5% higher than that of FCLED with ITO/DBR at 350 mA. The maximum output power of the FCLED with Ag/TiW obtained at 305.6 A/cm 2 is 29.3% larger than that of the FCLED with ITO/DBR obtained at 278.9 A/cm 2 . The improvement appears to be due to the enhanced current spreading and higher optical reflectance provided by the Ag/TiW.

Lithium diffusion at Si-C interfaces in silicon-graphene composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odbadrakh, Khorgolkhuu; McNutt, N. W.; Nicholson, D. M.

2014-08-04

Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

Effect of SiN x diffusion barrier thickness on the structural properties and photocatalytic activity of TiO2 films obtained by sol-gel dip coating and reactive magnetron sputtering.

PubMed

Ghazzal, Mohamed Nawfal; Aubry, Eric; Chaoui, Nouari; Robert, Didier

2015-01-01

We investigate the effect of the thickness of the silicon nitride (SiN x ) diffusion barrier on the structural and photocatalytic efficiency of TiO2 films obtained with different processes. We show that the structural and photocatalytic efficiency of TiO2 films produced using soft chemistry (sol-gel) and physical methods (reactive sputtering) are affected differentially by the intercalating SiN x diffusion barrier. Increasing the thickness of the SiN x diffusion barrier induced a gradual decrease of the crystallite size of TiO2 films obtained by the sol-gel process. However, TiO2 obtained using the reactive sputtering method showed no dependence on the thickness of the SiN x barrier diffusion. The SiN x barrier diffusion showed a beneficial effect on the photocatalytic efficiency of TiO2 films regardless of the synthesis method used. The proposed mechanism leading to the improvement in the photocatalytic efficiency of the TiO2 films obtained by each process was discussed.

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Hole Polaron Diffusion in the Final Discharge Product of Lithium–Sulfur Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

Poor electronic conductivity of bulk lithium sulfide (Li 2S) is a critical challenge for the debilitating performance of the lithium–sulfur battery. In this study we focus on investigating the thermodynamic and kinetic properties of native defects in Li 2S based on a first-principles approach. It is found that the hole polaron p + can form in Li 2S by removing a 3p electron from an S 2– anion. The p + diffusion barrier is only 90 meV, which is much lower than the Li vacancy (V Li –) diffusion barrier. Hence p + has the potential to serve as amore » charge carrier in the discharge product. Once the vacancy–polaron complex (V Li -––2p +) forms, the charge transport will be hindered due to the relatively higher diffusion barrier of the complex. Heteroatom dopants, which can decrease the p + formation energy and increase V Li – formation energy, are expected to be introduced to the discharge product to improve the electronic conductivity.« less

Hole Polaron Diffusion in the Final Discharge Product of Lithium–Sulfur Batteries

DOE PAGES

Liu, Zhixiao; Balbuena, Perla B.; Mukherjee, Partha P.

2017-07-24

Poor electronic conductivity of bulk lithium sulfide (Li 2S) is a critical challenge for the debilitating performance of the lithium–sulfur battery. In this study we focus on investigating the thermodynamic and kinetic properties of native defects in Li 2S based on a first-principles approach. It is found that the hole polaron p + can form in Li 2S by removing a 3p electron from an S 2– anion. The p + diffusion barrier is only 90 meV, which is much lower than the Li vacancy (V Li –) diffusion barrier. Hence p + has the potential to serve as amore » charge carrier in the discharge product. Once the vacancy–polaron complex (V Li -––2p +) forms, the charge transport will be hindered due to the relatively higher diffusion barrier of the complex. Heteroatom dopants, which can decrease the p + formation energy and increase V Li – formation energy, are expected to be introduced to the discharge product to improve the electronic conductivity.« less

Experimental analysis of the Schottky barrier height of metal contacts in black phosphorus field-effect transistors

NASA Astrophysics Data System (ADS)

Chang, Hsun-Ming; Fan, Kai-Lin; Charnas, Adam; Ye, Peide D.; Lin, Yu-Ming; Wu, Chih-I.; Wu, Chao-Hsin

2018-04-01

Compared to graphene and MoS2, studies on metal contacts to black phosphorus (BP) transistors are still immature. In this work, we present the experimental analysis of titanium contacts on BP based upon the theory of thermionic emssion. The Schottky barrier height (SBH) is extracted by thermionic emission methods to analyze the properties of Ti-BP contact. To examine the results, the band gap of BP is extracted followed by theoretical band alignment by Schottky-Mott rule. However, an underestimated SBH is found due to the hysteresis in electrical results. Hence, a modified SBH extraction for contact resistance that avoids the effects of hysteresis is proposed and demonstrated, showing a more accurate SBH that agrees well with theoretical value and results of transmission electron microscopy and energy-dispersive x-ray spectroscopy.

Antimicrobial activity of ProRoot MTA in contact with blood

PubMed Central

Farrugia, C.; Baca, P.; Camilleri, J.; Arias Moliz, M. T.

2017-01-01

Dental materials based on Portland cement, which is used in the construction industry have gained popularity for clinical use due to their hydraulic properties, the interaction with tooth tissue and their antimicrobial properties. The antimicrobial properties are optimal in vitro. However in clinical use contact with blood may affect the antimicrobial properties. This study aims to assess whether antimicrobial properties of the Portland cement-based dental cements such as mineral trioxide aggregate (MTA) are also affected by contact with blood present in clinical situations. ProRoot MTA, a Portland cement-based dental cement was characterized following contact with water, or heparinized blood after 1 day and 7 days aging. The antimicrobial activity under the mentioned conditions was assessed using 3 antimicrobial tests: agar diffusion test, direct contact test and intratubular infection test. MTA in contact with blood was severely discoloured, exhibited an additional phosphorus peak in elemental analysis, no calcium hydroxide peaks and no areas of bacterial inhibition growth in the agar diffusion test were demonstrated. ProRoot MTA showed limited antimicrobial activity, in both the direct contact test and intratubular infection test. When aged in water ProRoot MTA showed higher antimicrobial activity than when aged in blood. Antimicrobial activity reduced significantly after 7 days. Further assessment is required to investigate behaviour in clinical situations. PMID:28128328

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pristavu, G.; Brezeanu, G.; Badila, M.

2015-06-29

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures.more » The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.« less

Diffusion Barriers to Increase the Oxidative Life of Overlay Coatings

NASA Technical Reports Server (NTRS)

Nesbitt, James A.; Lei, Jih-Fen

1999-01-01

Currently, most blades and vanes in the hottest section of aero gas turbine engines require some type of coating for oxidation protection. Newly developed single crystal superalloys have the mechanical potential to operate at increasingly higher component temperatures. However, at these elevated temperatures, coating/substrate interdiffusion can shorten the protective life of the coating. Diffusion barriers between overlay coatings and substrates are being examined to extend the protective life of the coating. A previously- developed finite-difference diffusion model has been modified to predict the oxidative life enhancement due to use of a diffusion barrier. The original diffusion model, designated COSIM, simulates Al diffusion in the coating to the growing oxide scale as well as Al diffusion into the substrate. The COSIM model incorporates an oxide growth and spalling model to provide the rate of Al consumption during cyclic oxidation. Coating failure is predicted when the Al concentration at the coating surface drops to a defined critical level. The modified COSIM model predicts the oxidative life of an overlay coating when a diffusion barrier is present eliminating diffusion of Al from the coating into the substrate. Both the original and the modified diffusion models have been used to predict the effectiveness of a diffusion barrier in extending the protective life of a NiCrAl overlay coating undergoing cyclic oxidation at 1100 C.

Explanation of the barrier heights of graphene Schottky contacts by the MIGS-and-electronegativity concept

NASA Astrophysics Data System (ADS)

Mönch, Winfried

2016-09-01

Graphene-semiconductor contacts exhibit rectifying properties and, in this respect, they behave in exactly the same way as a "conventional" metal-semiconductor or Schottky contacts. It will be demonstrated that, as often assumed, the Schottky-Mott rule does not describe the reported barrier heights of graphene-semiconductor contacts. With "conventional" Schottky contacts, the same conclusion was reached already in 1940. The physical reason is that the Schottky-Mott rule considers no interaction between the metal and the semiconductor. The barrier heights of "conventional" Schottky contacts were explained by the continuum of metal-induced gap states (MIGSs), where the differences of the metal and semiconductor electronegativities describe the size and the sign of the intrinsic electric-dipoles at the interfaces. It is demonstrated that the MIGS-and-electronegativity concept unambiguously also explains the experimentally observed barrier heights of graphene Schottky contacts. This conclusion includes also the barrier heights reported for MoS2 Schottky contacts with "conventional" metals as well as with graphene.

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

PubMed Central

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

“You Shall Not Pass”—tight junctions of the blood brain barrier

PubMed Central

Bauer, Hans-Christian; Krizbai, István A.; Bauer, Hannelore; Traweger, Andreas

2014-01-01

The structure and function of the barrier layers restricting the free diffusion of substances between the central nervous system (brain and spinal cord) and the systemic circulation is of great medical interest as various pathological conditions often lead to their impairment. Excessive leakage of blood-borne molecules into the parenchyma and the concomitant fluctuations in the microenvironment following a transient breakdown of the blood-brain barrier (BBB) during ischemic/hypoxic conditions or because of an autoimmune disease are detrimental to the physiological functioning of nervous tissue. On the other hand, the treatment of neurological disorders is often hampered as only minimal amounts of therapeutic agents are able to penetrate a fully functional BBB or blood cerebrospinal fluid barrier. An in-depth understanding of the molecular machinery governing the establishment and maintenance of these barriers is necessary to develop rational strategies allowing a controlled delivery of appropriate drugs to the CNS. At the basis of such tissue barriers are intimate cell-cell contacts (zonulae occludentes, tight junctions) which are present in all polarized epithelia and endothelia. By creating a paracellular diffusion constraint TJs enable the vectorial transport across cell monolayers. More recent findings indicate that functional barriers are already established during development, protecting the fetal brain. As an understanding of the biogenesis of TJs might reveal the underlying mechanisms of barrier formation during ontogenic development numerous in vitro systems have been developed to study the assembly and disassembly of TJs. In addition, monitoring the stage-specific expression of TJ-associated proteins during development has brought much insight into the “developmental tightening” of tissue barriers. Over the last two decades a detailed molecular map of transmembrane and cytoplasmic TJ-proteins has been identified. These proteins not only form a cell-cell adhesion structure, but integrate various signaling pathways, thereby directly or indirectly impacting upon processes such as cell-cell adhesion, cytoskeletal rearrangement, and transcriptional control. This review will provide a brief overview on the establishment of the BBB during embryonic development in mammals and a detailed description of the ultrastructure, biogenesis, and molecular composition of epithelial and endothelial TJs will be given. PMID:25520612

Design and analysis of 30 nm T-gate InAlN/GaN HEMT with AlGaN back-barrier for high power microwave applications

NASA Astrophysics Data System (ADS)

Murugapandiyan, P.; Ravimaran, S.; William, J.; Meenakshi Sundaram, K.

2017-11-01

In this article, we present the DC and microwave characteristics of a novel 30 nm T-gate InAlN/AlN/GaN HEMT with AlGaN back-barrier. The device structure is simulated by using Synopsys Sentaurus TCAD Drift-Diffusion transport model at room temperature. The device features are heavily doped (n++ GaN) source/drain regions with Si3N4 passivated device surface for reducing the contact resistances and gate capacitances of the device, which uplift the microwave characteristics of the HEMTs. 30 nm gate length D-mode (E-mode) HEMT exhibited a peak drain current density Idmax of 2.3 (2.42) A/mm, transconductance gm of 1.24(1.65) S/mm, current gain cut-off frequency ft of 262 (246) GHz, power gain cut-off frequency fmax of 246(290) GHz and the three terminal off-state breakdown voltage VBR of 40(38) V. The preeminent microwave characteristics with the higher breakdown voltage of the proposed GaN-based HEMT are the expected to be the most optimistic applicant for future high power millimeter wave applications.

LED structure with enhanced mirror reflectivity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bergmann, Michael; Donofrio, Matthew; Heikman, Sten

2014-04-01

Embodiments of the present invention are generally related to LED chips having improved overall emission by reducing the light-absorbing effects of barrier layers adjacent mirror contacts. In one embodiment, a LED chip comprises one or more LEDs, with each LED having an active region, a first contact under the active region having a highly reflective mirror, and a barrier layer adjacent the mirror. The barrier layer is smaller than the mirror such that it does not extend beyond the periphery of the mirror. In another possible embodiment, an insulator is further provided, with the insulator adjacent the barrier layer andmore » adjacent portions of the mirror not contacted by the active region or by the barrier layer. In yet another embodiment, a second contact is provided on the active region. In a further embodiment, the barrier layer is smaller than the mirror such that the periphery of the mirror is at least 40% free of the barrier layer, and the second contact is below the first contact and accessible from the bottom of the chip.« less

CO Diffusion and Desorption Kinetics in CO2 Ices

NASA Astrophysics Data System (ADS)

Cooke, Ilsa R.; Öberg, Karin I.; Fayolle, Edith C.; Peeler, Zoe; Bergner, Jennifer B.

2018-01-01

The diffusion of species in icy dust grain mantles is a fundamental process that shapes the chemistry of interstellar regions; yet, measurements of diffusion in interstellar ice analogs are scarce. Here we present measurements of CO diffusion into CO2 ice at low temperatures (T = 11–23 K) using CO2 longitudinal optical phonon modes to monitor the level of mixing of initially layered ices. We model the diffusion kinetics using Fick’s second law and find that the temperature-dependent diffusion coefficients are well fit by an Arrhenius equation, giving a diffusion barrier of 300 ± 40 K. The low barrier along with the diffusion kinetics through isotopically labeled layers suggest that CO diffuses through CO2 along pore surfaces rather than through bulk diffusion. In complementary experiments, we measure the desorption energy of CO from CO2 ices deposited at 11–50 K by temperature programmed desorption and find that the desorption barrier ranges from 1240 ± 90 K to 1410 ± 70 K depending on the CO2 deposition temperature and resultant ice porosity. The measured CO–CO2 desorption barriers demonstrate that CO binds equally well to CO2 and H2O ices when both are compact. The CO–CO2 diffusion–desorption barrier ratio ranges from 0.21 to 0.24 dependent on the binding environment during diffusion. The diffusion–desorption ratio is consistent with the above hypothesis that the observed diffusion is a surface process and adds to previous experimental evidence on diffusion in water ice that suggests surface diffusion is important to the mobility of molecules within interstellar ices.

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Astrophysics Data System (ADS)

Good, Brian

2015-03-01

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the diffusion of oxygen and water vapor through these coatings is undesirable if high temperature corrosion is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated oxygen diffusion in Ytterbium Disilicate. Oxygen vacancy site energies and diffusion barrier energies are computed using Density Functional Theory. We find that many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small in the pure material, with the result that the material is unlikely to exhibit significant oxygen permeability.

Strong Schottky barrier reduction at Au-catalyst/GaAs-nanowire interfaces by electric dipole formation and Fermi-level unpinning.

PubMed

Suyatin, Dmitry B; Jain, Vishal; Nebol'sin, Valery A; Trägårdh, Johanna; Messing, Maria E; Wagner, Jakob B; Persson, Olof; Timm, Rainer; Mikkelsen, Anders; Maximov, Ivan; Samuelson, Lars; Pettersson, Håkan

2014-01-01

Nanoscale contacts between metals and semiconductors are critical for further downscaling of electronic and optoelectronic devices. However, realizing nanocontacts poses significant challenges since conventional approaches to achieve ohmic contacts through Schottky barrier suppression are often inadequate. Here we report the realization and characterization of low n-type Schottky barriers (~0.35 eV) formed at epitaxial contacts between Au-In alloy catalytic particles and GaAs-nanowires. In comparison to previous studies, our detailed characterization, employing selective electrical contacts defined by high-precision electron beam lithography, reveals the barrier to occur directly and solely at the abrupt interface between the catalyst and nanowire. We attribute this lowest-to-date-reported Schottky barrier to a reduced density of pinning states (~10(17) m(-2)) and the formation of an electric dipole layer at the epitaxial contacts. The insight into the physical mechanisms behind the observed low-energy Schottky barrier may guide future efforts to engineer abrupt nanoscale electrical contacts with tailored electrical properties.

Brain mesenchymal stem cells: physiology and pathological implications.

PubMed

Pombero, Ana; Garcia-Lopez, Raquel; Martinez, Salvador

2016-06-01

Mesenchymal stem cells (MSCs) are defined as progenitor cells that give rise to a number of unique, differentiated mesenchymal cell types. This concept has progressively evolved towards an all-encompassing concept including multipotent perivascular cells of almost any tissue. In central nervous system, pericytes are involved in blood-brain barrier, and angiogenesis and vascular tone regulation. They form the neurovascular unit (NVU) together with endothelial cells, astrocytes and neurons. This functional structure provides an optimal microenvironment for neural proliferation in the adult brain. Neurovascular niche include both diffusible signals and direct contact with endothelial and pericytes, which are a source of diffusible neurotrophic signals that affect neural precursors. Therefore, MSCs/pericyte properties such as differentiation capability, as well as immunoregulatory and paracrine effects make them a potential resource in regenerative medicine. © 2016 Japanese Society of Developmental Biologists.

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

NASA Astrophysics Data System (ADS)

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.

Electrochemical Device Comprising an Electrically-Conductive, Selectively-Permeable Membrane

NASA Technical Reports Server (NTRS)

Laicer, Castro S. T. (Inventor); Mittelsteadt, Cortney K. (Inventor); Harrison, Katherine E. (Inventor); McPheeters, Bryn M. (Inventor)

2017-01-01

An electrochemical device, such as a fuel cell or an electrolyzer. In one embodiment, the electrochemical device includes a membrane electrode assembly (MEA), an anodic gas diffusion medium in contact with the anode of the MEA, a cathodic gas diffusion medium in contact with the cathode, a first bipolar plate in contact with the anodic gas diffusion medium, and a second bipolar plate in contact with the cathodic gas diffusion medium. Each of the bipolar plates includes an electrically-conductive, non-porous, liquid-permeable, substantially gas-impermeable membrane in contact with its respective gas diffusion medium, the membrane including a solid polymer electrolyte and a non-particulate, electrically-conductive material, such as carbon nanotubes, carbon nanofibers, and/or metal nanowires. In addition, each bipolar plate also includes an electrically-conductive fluid chamber in contact with the electrically-conductive, selectively-permeable membrane and further includes a non-porous and electrically-conductive plate in contact with the fluid chamber.

Computational characterization of lightweight multilayer MXene Li-ion battery anodes

NASA Astrophysics Data System (ADS)

Ashton, Michael; Hennig, Richard G.; Sinnott, Susan B.

2016-01-01

MXenes, a class of two-dimensional transition metal carbides and nitrides, have shown promise experimentally and computationally for use in energy storage applications. In particular, the most lightweight members of the monolayer MXene family (M = Sc, Ti, V, or Cr) are predicted to have gravimetric capacities above 400 mAh/g, higher than graphite. Additionally, intercalation of ions into multilayer MXenes can be accomplished at low voltages, and low diffusion barriers exist for Li diffusing across monolayer MXenes. However, large discrepancies have been observed between the calculated and experimental reversible capacities of MXenes. Here, dispersion-corrected density functional theory calculations are employed to predict reversible capacities and other battery-related properties for six of the most promising members of the MXene family (O-functionalized Ti- and V-based carbide MXenes) as bilayer structures. The calculated reversible capacities of the V2CO2 and Ti2CO2 bilayers agree more closely with experiment than do previous calculations for monolayers. Additionally, the minimum energy paths and corresponding energy barriers along the in-plane [1000] and [0100] directions for Li travelling between neighboring MXene layers are determined. V4C3O2 exhibits the lowest diffusion barrier of the compositions considered, at 0.42 eV, but its reversible capacity (148 mAh/g) is dragged down by its heavy formula unit. Conversely, the V2CO2 MXene shows good reversible capacity (276 mAh/g), but a high diffusion barrier (0.82 eV). We show that the diffusion barriers of all bilayer structures are significantly higher than those calculated for the corresponding monolayers, advocating the use of dispersed monolayer MXenes instead of multilayers in high performance anodes.

CO Diffusion into Amorphous H2O Ices

NASA Astrophysics Data System (ADS)

Lauck, Trish; Karssemeijer, Leendertjan; Shulenberger, Katherine; Rajappan, Mahesh; Öberg, Karin I.; Cuppen, Herma M.

2015-03-01

The mobility of atoms, molecules, and radicals in icy grain mantles regulates ice restructuring, desorption, and chemistry in astrophysical environments. Interstellar ices are dominated by H2O, and diffusion on external and internal (pore) surfaces of H2O-rich ices is therefore a key process to constrain. This study aims to quantify the diffusion kinetics and barrier of the abundant ice constituent CO into H2O-dominated ices at low temperatures (15-23 K), by measuring the mixing rate of initially layered H2O(:CO2)/CO ices. The mixed fraction of CO as a function of time is determined by monitoring the shape of the infrared CO stretching band. Mixing is observed at all investigated temperatures on minute timescales and can be ascribed to CO diffusion in H2O ice pores. The diffusion coefficient and final mixed fraction depend on ice temperature, porosity, thickness, and composition. The experiments are analyzed by applying Fick’s diffusion equation under the assumption that mixing is due to CO diffusion into an immobile H2O ice. The extracted energy barrier for CO diffusion into amorphous H2O ice is ˜160 K. This is effectively a surface diffusion barrier. The derived barrier is low compared to current surface diffusion barriers in use in astrochemical models. Its adoption may significantly change the expected timescales for different ice processes in interstellar environments.

(abstract) PV Technology for Low Intensity, Low Temperature (LILT) Applications

NASA Technical Reports Server (NTRS)

Stella, Paul M.; Pool, Frederick S.; Nicolet, Marc A.; Iles, Peter A.

1994-01-01

As a result of the recent NASA emphasis on smaller, lower cost space missions, PV is now being considered for a number of missions operating at solar distances of 3 AU or greater. In the past, many of these missions would utilize an RTG (radioisotope thermoelectric generator). Historically, silicon solar cell behavior at these distances has been compromised by a number of mechanisms including shunting, nonohmic back contacts, and the 'broken knee' curve shape. The former two can usually be neglected for modern silicon cells, but the latter has not been eliminated. This problem has been identified with localized diffusion at the top contact/silicon interface which leads to structural changes at the local junction. This is believed to create a resistive metal-semiconductor-like (MSL) interface in parallel with the junction which results in the characteristic forms of the LILT (low intensity, low temperature) 'broken knee'. This paper discusses a TaSiN contact barrier that will prevent the MSL structure in the junction.

PV Technology for Low Intensity, Low Temperature (LILT) Applications

NASA Technical Reports Server (NTRS)

Stella, Paul M.; Pool, Frederick S.; Nicolet, Marc A.; Iles, Peter A.

1994-01-01

As a result of the recent NASA emphasis on smaller, lower cost space missions, PV is now being considered for a number of missions operating at solar distances of 3 AU or greater. In the past, many of these missions would utilize an RTG (radioisotope thermoelectric generator). Historically, silicon solar cell behavior at these distances has been compromised by a number of mechanisms including shunting, nonohmic back contacts, and the 'broken knee' curve shape. The former two can usually be neglected for modern silicon cells, but the latter has not been eliminated. This problem has been identified with localized diffusion at the top contact/silicon interface which leads to structural changes at the local junction. This is believed to create a resistive metal-semiconductor-like (MSL) interface in parallel with the junction which results in the characteristic forms of the LILT (low intensity, low temperature) 'broken knee'. This paper discusses a TaSiN contact barrier that will prevent the MSL structure in the junction.

Reduction of diffusion barriers in isolated rat islets improves survival, but not insulin secretion or transplantation outcome

PubMed Central

Janette Williams, S; Huang, Han-Hung; Kover, Karen; Moore, Wayne; Berkland, Cory; Singh, Milind; Smirnova, Irina V; MacGregor, Ronal

2010-01-01

For people with type 1 diabetes and severe hypoglycemic unawareness, islet transplants offer hope for improving the quality of life. However, islet cell death occurs quickly during or after transplantation, requiring large quantities of islets per transplant. The purpose of this study was to determine whether poor function demonstrated in large islets was a result of diffusion barriers and if removing those barriers could improve function and transplantation outcomes. Islets were isolated from male DA rats and measured for cell viability, islet survival, glucose diffusion and insulin secretion. Modeling of diffusion barriers was completed using dynamic partial differential equations for a sphere. Core cell death occurred in 100% of the large islets (diameter >150 µm), resulting in poor survival within 7 days after isolation. In contrast, small islets (diameter <100 µm) exhibited good survival rates in culture (91%). Glucose diffusion into islets was tracked with 2-NBDG; 4.2 µm/min in small islets and 2.8 µm/min in large islets. 2-NBDG never permeated to the core cells of islets larger than 150 µm diameter. Reducing the diffusion barrier in large islets improved their immediate and long-term viability in culture. However, reduction of the diffusion barrier in large islets failed to improve their inferior in vitro insulin secretion compared to small islets, and did not return glucose control to diabetic animals following transplantation. Thus, diffusion barriers lead to low viability and poor survival for large islets, but are not solely responsible for the inferior insulin secretion or poor transplantation outcomes of large versus small islets. PMID:20885858

Barrier inhomogeneities and electronic transport of Pt contacts to relatively highly doped n-type 4H-SiC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Lingqin, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn; Wang, Dejun, E-mail: lqhuang@jsnu.edu.cn, E-mail: dwang121@dlut.edu.cn

The barrier characteristics of Pt contacts to relatively highly doped (∼1 × 10{sup 18 }cm{sup −3}) 4H-SiC were investigated using current-voltage (I-V) and capacitance-voltage (C-V) measurements in the temperature range of 160–573 K. The barrier height and ideally factor estimated from the I-V characteristics based on the thermionic emission model are abnormally temperature-dependent, which can be explained by assuming the presence of a double Gaussian distribution (GD) of inhomogeneous barrier heights. However, in the low temperature region (160–323 K), the obtained mean barrier height according to GD is lower than the actual mean value from C-V measurement. The values of barrier height determined from themore » thermionic field emission model are well consistent with those from the C-V measurements, which suggest that the current transport process could be modified by electron tunneling at low temperatures.« less

Barrier Coatings for Refractory Metals and Superalloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

SM Sabol; BT Randall; JD Edington

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.more » 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.« less

Chemically-inducible diffusion trap at cilia (C-IDTc) reveals molecular sieve-like barrier

PubMed Central

Lin, Yu-Chun; Phua, Siew Cheng; Jiao, John; Levchenko, Andre; Inoue, Takafumi; Rohatgi, Rajat; Inoue, Takanari

2013-01-01

Primary cilia function as specialized compartments for signal transduction. The stereotyped structure and signaling function of cilia inextricably depend on the selective segregation of molecules in cilia. However, the fundamental principles governing the access of soluble proteins to primary cilia remain unresolved. We developed a methodology termed Chemically-Inducible Diffusion Trap at Cilia (C-IDTc) to visualize the diffusion process of a series of fluorescent proteins ranging in size from 3.2 to 7.9 nm into primary cilia. We found that the interior of the cilium was accessible to proteins as large as 7.9 nm. The kinetics of ciliary accumulation of this panel of proteins was exponentially limited by their Stokes radii. Quantitative modeling suggests that the diffusion barrier operates as a molecular sieve at the base of cilia. Our study presents a set of powerful, generally applicable tools for the quantitative monitoring of ciliary protein diffusion under both physiological and pathological conditions. PMID:23666116

Diffusion of point defects in crystalline silicon using the kinetic activation-relaxation technique method

DOE PAGES

Trochet, Mickaël; Béland, Laurent Karim; Joly, Jean -François; ...

2015-06-16

We study point-defect diffusion in crystalline silicon using the kinetic activation-relaxation technique (k-ART), an off-lattice kinetic Monte Carlo method with on-the-fly catalog building capabilities based on the activation-relaxation technique (ART nouveau), coupled to the standard Stillinger-Weber potential. We focus more particularly on the evolution of crystalline cells with one to four vacancies and one to four interstitials in order to provide a detailed picture of both the atomistic diffusion mechanisms and overall kinetics. We show formation energies, activation barriers for the ground state of all eight systems, and migration barriers for those systems that diffuse. Additionally, we characterize diffusion pathsmore » and special configurations such as dumbbell complex, di-interstitial (IV-pair+2I) superdiffuser, tetrahedral vacancy complex, and more. In conclusion, this study points to an unsuspected dynamical richness even for this apparently simple system that can only be uncovered by exhaustive and systematic approaches such as the kinetic activation-relaxation technique.« less

Evaluation of Electroplated Co-P Film as Diffusion Barrier Between In-48Sn Solder and SiC-Dispersed Bi2Te3 Thermoelectric Material

NASA Astrophysics Data System (ADS)

Li, Siyang; Yang, Donghua; Tan, Qing; Li, Liangliang

2015-06-01

The diffusion barrier property of Co-P film as a buffer layer between SiC-dispersed Bi2Te3 bulk material and In-48Sn solder was investigated. A Co-P film with thickness of ~6 µm was electroplated on SiC-dispersed Bi2Te3 substrate, joined with In-48Sn solder by a reflow process, and annealed at 100°C for up to 625 h. The formation and growth kinetics of intermetallic compounds (IMCs) at the interface between the In-48Sn and substrate were studied using transmission electron microscopy and scanning electron microscopy with energy-dispersive x-ray spectroscopy. The results showed that crystalline Co(In,Sn)3 formed as an irregular layer adjacent to the solder side at the solder/Co-P interface due to diffusion of Co towards the solder, and a small amount of amorphous Co45P13In12Sn30 appeared at the Co-P side because of diffusion of In and Sn into Co-P. The growth of Co(In,Sn)3 and Co45P13In12Sn30 during solid-state aging was slow, being controlled by interfacial reaction and diffusion, respectively. For comparison, In-48Sn/Bi2Te3-SiC joints were prepared and the IMCs in the joints analyzed. Without a diffusion barrier, In penetrated rapidly into the substrate, which led to the formation of amorphous In x Bi y phase in crystalline In4Te3 matrix. These IMCs grew quickly with prolongation of the annealing time, and their growth was governed by volume diffusion of elements. The experimental data demonstrate that electroplated Co-P film is an effective diffusion barrier for use in Bi2Te3-based thermoelectric modules.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sathiyanarayanan, Rajesh, E-mail: rajessat@in.ibm.com, E-mail: rajesh.sathiyanarayanan@gmail.com; Pandey, R. K.; Murali, K. V. R. M.

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 switchingmore » 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)« less

Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling

PubMed Central

Kekenes-Huskey, Peter M.; Eun, Changsun; McCammon, J. A.

2015-01-01

Biochemical reaction networks consisting of coupled enzymes connect substrate signaling events with biological function. Substrates involved in these reactions can be strongly influenced by diffusion “barriers” arising from impenetrable cellular structures and macromolecules, as well as interactions with biomolecules, especially within crowded environments. For diffusion-influenced reactions, the spatial organization of diffusion barriers arising from intracellular structures, non-specific crowders, and specific-binders (buffers) strongly controls the temporal and spatial reaction kinetics. In this study, we use two prototypical biochemical reactions, a Goodwin oscillator, and a reaction with a periodic source/sink term to examine how a diffusion barrier that partitions substrates controls reaction behavior. Namely, we examine how conditions representative of a densely packed cytosol, including reduced accessible volume fraction, non-specific interactions, and buffers, impede diffusion over nanometer length-scales. We find that diffusion barriers can modulate the frequencies and amplitudes of coupled diffusion-influenced reaction networks, as well as give rise to “compartments” of decoupled reactant populations. These effects appear to be intensified in the presence of buffers localized to the diffusion barrier. These findings have strong implications for the role of the cellular environment in tuning the dynamics of signaling pathways. PMID:26342355

Electrochemical Device Comprising Composite Bipolar Plate and Method of Using the Same

NASA Technical Reports Server (NTRS)

Mittelsteadt, Cortney K. (Inventor); Braff, William A. (Inventor)

2013-01-01

An electrochemical device and methods of using the same. In one embodiment, the electrochemical device may be used as a fuel cell and/or as an electrolyzer and includes a membrane electrode assembly (MEA), an anodic gas diffusion medium in contact with the anode of the MEA, a cathodic gas diffusion medium in contact with the cathode, a first bipolar plate in contact with the anodic gas diffusion medium, and a second bipolar plate in contact with the cathodic gas diffusion medium. Each of the bipolar plates includes an electrically-conductive, chemically-inert, non-porous, liquid-permeable, substantially gas-impermeable membrane in contact with its respective gas diffusion medium, as well as a fluid chamber and a non-porous an electrically-conductive plate.

Electrochemical Device Comprising Composite Bipolar Plate and Method of Using the Same

NASA Technical Reports Server (NTRS)

Mittelsteadt, Cortney K. (Inventor); Braff, William A. (Inventor)

2017-01-01

An electrochemical device and methods of using the same. In one embodiment, the electrochemical device may be used as a fuel cell and/or as an electrolyzer and includes a membrane electrode assembly (MEA), an anodic gas diffusion medium in contact with the anode of the MEA, a cathodic gas diffusion medium in contact with the cathode, a first bipolar plate in contact with the anodic gas diffusion medium, and a second bipolar plate in contact with the cathodic gas diffusion medium. Each of the bipolar plates includes an electrically-conductive, chemically-inert, non-porous, liquid-permeable, substantially gas-impermeable membrane in contact with its respective gas diffusion medium, as well as a fluid chamber and a non-porous an electrically-conductive plate.

Comparison of simulations to experiment for a detailed analysis of space-charge-limited transient current measurements in organic semiconductors

NASA Astrophysics Data System (ADS)

Szymanski, Marek Z.; Kulszewicz-Bajer, Irena; Faure-Vincent, Jérôme; Djurado, David

2012-05-01

Space-charge-limited current transients (also referred as time resolved dark injection) is an attractive technique for mobility measurements in low mobility materials, particularly the organic semiconductors. Transients are generally analyzed in terms of the Many-Rakavy theory, which is an approximate analytical solution of the time-dependent drift-diffusion problem after application of a voltage step. In this contribution, we perform full time-dependent drift-diffusion simulation and compare simulated and experimental transients measured on a sample of triaryl-amine based electroactive dendrimer (experimental conditions: μ≈10-5 cm2/(Vs), L=300 nm, E<105 V/cm). We have found that the Many-Rakavy theory is indeed valid for estimating the mobility value, but it fails to predict quantitatively the time-dependent current response. In order to obtain a good agreement in between simulation and experiment, trapping and quasi-ohmic contact models were needed to be taken into account. In the case of the studied electroactive dendrimer, the experimental results were apparently consistent with the constant mobility Many-Rakavy theory, but with this model, a large uncertainty of 20% was found for the mobility value. We show that this uncertainty can be significantly reduced to 10% if a field-dependent mobility is taken into account in the framework of the extended Gaussian disorder model. Finally, we demonstrate that this fitting procedure between simulated and experimental transient responses also permits to unambiguously provide the values of the contact barrier, the trap concentration, the trap depth in addition to that of the mobility of carriers.

Development of low cost contacts to silicon solar cells

NASA Technical Reports Server (NTRS)

Tanner, D. P.; Iles, P. A.

1980-01-01

A copper based contact system using plated Pd-Cr-Cu was developed. Good cells were made but cells degraded under low temperature (300 C) heat treatments. The degradation was identified as copper migration into the cells junction region. A paper study was conducted to find a proper barrier to the copper migration problem. Nickel was identified as the best candidate barrier and this was verified in a heat treatment study using evaporated metal layers. An electroless nickel solution was substituted for the electroless chromium solution in the original process.

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Technical Reports Server (NTRS)

Good, Brian S.

2015-01-01

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the transport of oxygen and water vapor through these coatings to the ceramic substrate is undesirable if high temperature oxidation is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated and interstitial oxygen diffusion in Ytterbium disilicate. Oxygen vacancy and interstitial site energies, vacancy and interstitial formation energies, and migration barrier energies were computed using Density Functional Theory. We have found that, in the case of vacancy-mediated diffusion, many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small. In the case of interstitial diffusion, migration barrier energies are typically around one electron volt, but the interstitial defect formation energies are positive, with the result that the disilicate is unlikely to exhibit experience significant oxygen permeability except at very high temperature.

Poly(3,3‴-didodecylquarterthiophene) field effect transistors with single-walled carbon nanotube based source and drain electrodes

NASA Astrophysics Data System (ADS)

Zhang, Yuan Yuan; Shi, Yumeng; Chen, Fuming; Mhaisalkar, S. G.; Li, Lain-Jong; Ong, Beng S.; Wu, Yiliang

2007-11-01

A solution processable method for employing single-walled carbon nanotubes (SWCNTs) as bottom contact source/drain electrodes for a significant reduction of contact resistance in poly(3,3‴-didodecylquarterthiophene) based organic field effect transistors (OFETs) is proposed. A two order of magnitude reduction in contact resistance and up to a threefold improvement in field effect mobilities were observed in SWCNT contacted OFETs as opposed to similar devices with gold source/drain electrodes. Based on Kelvin probe measurements, this improvement was attributed to a reduction in the Schottky barrier for hole injection into organic semiconductor.

Upscaling the diffusion equations in particulate media made of highly conductive particles. II. Application to fibrous materials.

PubMed

Vassal, J-P; Orgéas, L; Favier, D; Auriault, J-L; Le Corre, S

2008-01-01

In paper I [Vassal, Phys. Rev. E77, 011302 (2008)] of this contribution, the effective diffusion properties of particulate media with highly conductive particles and particle-particle interfacial barriers have been investigated with the homogenization method with multiple scale asymptotic expansions. Three different macroscopic models have been proposed depending on the quality of contacts between particles. However, depending on the nature and the geometry of particles contained in representative elementary volumes of the considered media, localization problems to be solved to compute the effective conductivity of the two first models can rapidly become cumbersome, time and memory consuming. In this second paper, the above problem is simplified and applied to networks made of slender, wavy and entangled fibers. For these types of media, discrete formulations of localization problems for all macroscopic models can be obtained leading to very efficient numerical calculations. Semianalytical expressions of the effective conductivity tensors are also proposed under simplifying assumptions. The case of straight monodisperse and homogeneously distributed slender fibers with a circular cross section is further explored. Compact semianalytical and analytical estimations are obtained when fiber-fiber contacts are perfect or very poor. Moreover, two discrete element codes have been developed and used to solve localization problems on representative elementary volumes for the same types of contacts. Numerical results underline the significant roles of the fiber content, the orientation of fibers as well as the relative position and orientation of contacting fibers on the effective conductivity tensors. Semianalytical and analytical predictions are discussed and compared with numerical results.

Predict drug permeability to blood–brain-barrier from clinical phenotypes: drug side effects and drug indications

PubMed Central

Gao, Zhen; Chen, Yang; Cai, Xiaoshu; Xu, Rong

2017-01-01

Abstract Motivation: Blood–Brain-Barrier (BBB) is a rigorous permeability barrier for maintaining homeostasis of Central Nervous System (CNS). Determination of compound’s permeability to BBB is prerequisite in CNS drug discovery. Existing computational methods usually predict drug BBB permeability from chemical structure and they generally apply to small compounds passing BBB through passive diffusion. As abundant information on drug side effects and indications has been recorded over time through extensive clinical usage, we aim to explore BBB permeability prediction from a new angle and introduce a novel approach to predict BBB permeability from drug clinical phenotypes (drug side effects and drug indications). This method can apply to both small compounds and macro-molecules penetrating BBB through various mechanisms besides passive diffusion. Results: We composed a training dataset of 213 drugs with known brain and blood steady-state concentrations ratio and extracted their side effects and indications as features. Next, we trained SVM models with polynomial kernel and obtained accuracy of 76.0%, AUC 0.739, and F1 score (macro weighted) 0.760 with Monte Carlo cross validation. The independent test accuracy was 68.3%, AUC 0.692, F1 score 0.676. When both chemical features and clinical phenotypes were available, combining the two types of features achieved significantly better performance than chemical feature based approach (accuracy 85.5% versus 72.9%, AUC 0.854 versus 0.733, F1 score 0.854 versus 0.725; P < e−90). We also conducted de novo prediction and identified 110 drugs in SIDER database having the potential to penetrate BBB, which could serve as start point for CNS drug repositioning research. Availability and Implementation: https://github.com/bioinformatics-gao/CASE-BBB-prediction-Data Contact: rxx@case.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27993785

New approach to the design of Schottky barrier diodes for THz mixers

NASA Technical Reports Server (NTRS)

Jelenski, A.; Grueb, A.; Krozer, V.; Hartnagel, H. L.

1992-01-01

Near-ideal GaAs Schottky barrier diodes especially designed for mixing applications in the THz frequency range are presented. A diode fabrication process for submicron diodes with near-ideal electrical and noise characteristics is described. This process is based on the electrolytic pulse etching of GaAs in combination with an in-situ platinum plating for the formation of the Schottky contacts. Schottky barrier diodes with a diameter of 1 micron fabricated by the process have already shown excellent results in a 650 GHz waveguide mixer at room temperature. A conversion loss of 7.5 dB and a mixer noise temperature of less than 2000 K have been obtained at an intermediate frequency of 4 GHz. The optimization of the diode structure and the technology was possible due to the development of a generalized Schottky barrier diode model which is valid also at high current densities. The common diode design and optimization is discussed on the basis of the classical theory. However, the conventional fomulas are valid only in a limited forward bias range corresponding to currents much smaller than the operating currents under submillimeter mixing conditions. The generalized new model takes into account not only the phenomena occurring at the junction such as current dependent recombination and drift/diffusion velocities, but also mobility and electron temperature variations in the undepleted epi-layer. Calculated diode I/V and noise characteristics are in excellent agreement with the measured values. Thus, the model offers the possibility of optimizing the diode structure and predicting the diode performance under mixing conditions at THz frequencies.

Controlled drug release from hydrogels for contact lenses: Drug partitioning and diffusion.

PubMed

Pimenta, A F R; Ascenso, J; Fernandes, J C S; Colaço, R; Serro, A P; Saramago, B

2016-12-30

Optimization of drug delivery from drug loaded contact lenses assumes understanding the drug transport mechanisms through hydrogels which relies on the knowledge of drug partition and diffusion coefficients. We chose, as model systems, two materials used in contact lens, a poly-hydroxyethylmethacrylate (pHEMA) based hydrogel and a silicone based hydrogel, and three drugs with different sizes and charges: chlorhexidine, levofloxacin and diclofenac. Equilibrium partition coefficients were determined at different ionic strength and pH, using water (pH 5.6) and PBS (pH 7.4). The measured partition coefficients were related with the polymer volume fraction in the hydrogel, through the introduction of an enhancement factor following the approach developed by the group of C. J. Radke (Kotsmar et al., 2012; Liu et al., 2013). This factor may be decomposed in the product of three other factors E HS , E el and E ad which account for, respectively, hard-sphere size exclusion, electrostatic interactions, and specific solute adsorption. While E HS and E el are close to 1, E ad >1 in all cases suggesting strong specific interactions between the drugs and the hydrogels. Adsorption was maximal for chlorhexidine on the silicone based hydrogel, in water, due to strong hydrogen bonding. The effective diffusion coefficients, D e , were determined from the drug release profiles. Estimations of diffusion coefficients of the non-adsorbed solutes D=D e ×E ad allowed comparison with theories for solute diffusion in the absence of specific interaction with the polymeric membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models.

PubMed

Zimmermann, Nils E R; Hannah, Daniel C; Rong, Ziqin; Liu, Miao; Ceder, Gerbrand; Haranczyk, Maciej; Persson, Kristin A

2018-02-01

We report on a scheme for estimating intercalant jump-diffusion barriers that are typically obtained from demanding density functional theory-nudged elastic band calculations. The key idea is to relax a chain of states in the field of the electrostatic potential that is averaged over a spherical volume using different finite-size ion models. For magnesium migrating in typical intercalation materials such as transition-metal oxides, we find that the optimal model is a relatively large shell. This data-driven result parallels typical assumptions made in models based on Onsager's reaction field theory to quantitatively estimate electrostatic solvent effects. Because of its efficiency, our potential of electrostatics-finite ion size (PfEFIS) barrier estimation scheme will enable rapid identification of materials with good ionic mobility.

Profiling of barrier capacitance and spreading resistance using a transient linearly increasing voltage technique.

PubMed

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.

Barriers to Participation in an Online Nursing Journal Club at a Community Teaching Hospital.

PubMed

Rodriguez, Christopher; Victor, Carol; Leonardi, Nathaniel; Sulo, Suela; Littlejohn, Gina

2016-12-01

HOW TO OBTAIN CONTACT HOURS BY READING THIS ISSUE Instructions: 1.2 contact hours will be awarded by Villanova University College of Nursing upon successful completion of this activity. A contact hour is a unit of measurement that denotes 60 minutes of an organized learning activity. This is a learner-based activity. Villanova University College of Nursing does not require submission of your answers to the quiz. A contact hour certificate will be awarded after you register, pay the registration fee, and complete the evaluation form online at http://goo.gl/gMfXaf. In order to obtain contact hours you must: 1. Read the article, "Barriers to Participation in an Online Nursing Journal Club at a Community Teaching Hospital," found on pages 536-542, carefully noting any tables and other illustrative materials that are included to enhance your knowledge and understanding of the content. Be sure to keep track of the amount of time (number of minutes) you spend reading the article and completing the quiz. 2. Read and answer each question on the quiz. After completing all of the questions, compare your answers to those provided within this issue. If you have incorrect answers, return to the article for further study. 3. Go to the Villanova website to register for contact hour credit. You will be asked to provide your name, contact information, and a VISA, MasterCard, or Discover card number for payment of the $20.00 fee. Once you complete the online evaluation, a certificate will be automatically generated. This activity is valid for continuing education credit until November 30, 2019. CONTACT HOURS This activity is co-provided by Villanova University College of Nursing and SLACK Incorporated. Villanova University College of Nursing is accredited as a provider of continuing nursing education by the American Nurses Credentialing Center's Commission on Accreditation. OBJECTIVES Describe the benefits and barriers to participating in an online nursing journal club (ONJC) over a standard journal club. Identify three strategies to address the barriers to participation in an ONJC. DISCLOSURE STATEMENT Neither the planners nor the author have any conflicts of interest to disclose. Journal clubs can be an important tool enabling health care professionals in promoting evidence-based practice within their organizations. The researchers examined 183 nurses' perceptions of an online nursing journal club (ONJC) and perceived barriers to participation through a survey at a teaching hospital. Time was identified as the greatest participation barrier. The respondents preferred journal articles regarding the topics policy and procedures, medications, and nursing practice changes. To increase the use of the ONJC, it is imperative to focus on perceived barriers and strategies to eliminate them to help with increasing overall participation and achieving success when using an ONJC. J Contin Educ Nurs. 2016;47(12):536-542. Copyright 2016, SLACK Incorporated.

Interaction dynamics of two diffusing particles: contact times and influence of nearby surfaces.

PubMed

Tränkle, B; Ruh, D; Rohrbach, A

2016-03-14

Interactions of diffusing particles are governed by hydrodynamics on different length and timescales. The local hydrodynamics can be influenced substantially by simple interfaces. Here, we investigate the interaction dynamics of two micron-sized spheres close to plane interfaces to mimic more complex biological systems or microfluidic environments. Using scanned line optical tweezers and fast 3D interferometric particle tracking, we are able to track the motion of each bead with precisions of a few nanometers and at a rate of 10 kilohertz. From the recorded trajectories, all spatial and temporal information is accessible. This way, we measure diffusion coefficients for two coupling particles at varying distances h to one or two glass interfaces. We analyze their coupling strength and length by cross-correlation analysis relative to h and find a significant decrease in the coupling length when a second particle diffuses nearby. By analysing the times the particles are in close contact, we find that the influence of nearby surfaces and interaction potentials reduce the diffusivity strongly, although we found that the diffusivity hardly affects the contact times and the binding probability between the particles. All experimental results are compared to a theoretical model, which is based on the number of possible diffusion paths following the Catalan numbers and a diffusion probability, which is biased by the spheres' surface potential. The theoretical and experimental results agree very well and therefore enable a better understanding of hydrodynamically coupled interaction processes.

Catalytic-Metal/PdO(sub x)/SiC Schottky-Diode Gas Sensors

NASA Technical Reports Server (NTRS)

Hunter, Gary W.; Xu, Jennifer C.; Lukco, Dorothy

2006-01-01

Miniaturized hydrogen- and hydrocarbon-gas sensors, heretofore often consisting of Schottky diodes based on catalytic metal in contact with SiC, can be improved by incorporating palladium oxide (PdOx, where 0 less than or equal to x less than or equal to 1) between the catalytic metal and the SiC. In prior such sensors in which the catalytic metal was the alloy PdCr, diffusion and the consequent formation of oxides and silicides of Pd and Cr during operation at high temperature were observed to cause loss of sensitivity. However, it was also observed that any PdOx layers that formed and remained at PdCr/SiC interfaces acted as barriers to diffusion, preventing further deterioration by preventing the subsequent formation of metal silicides. In the present improvement, the lesson learned from these observations is applied by placing PdOx at the catalytic metal/SiC interfaces in a controlled and uniform manner to form stable diffusion barriers that prevent formation of metal silicides. A major advantage of PdOx over other candidate diffusion-barrier materials is that PdOx is a highly stable oxide that can be incorporated into gas sensor structures by use of deposition techniques that are standard in the semiconductor industry. The PdOx layer can be used in a gas sensor structure for improved sensor stability, while maintaining sensitivity. For example, in proof-of-concept experiments, Pt/PdOx/SiC Schottky-diode gas sensors were fabricated and tested. The fabrication process included controlled sputter deposition of PdOx to a thickness of 50 Angstroms on a 400-m-thick SiC substrate, followed by deposition of Pt to a thickness of 450 Angstroms on the PdOx. The SiC substrate (400 microns in thickness) was patterned with photoresist and a Schottky-diode photomask. A lift-off process completed the definition of the Schottky-diode pattern. The sensors were tested by measuring changes in forward currents at a bias potential of 1 V during exposure to H2 in N2 at temperatures ranging from 450 to 600 C for more than 750 hours. The sensors were found to be stable after a break-in time of nearly 200 hours. The sensors exhibited high sensitivity: sensor currents changed by factors ranging from 300 to 800 when the gas was changed from pure N2 to 0.5 percent H2 in N2.

Probing the Interplay between Dendritic Spine Morphology and Membrane-Bound Diffusion.

PubMed

Adrian, Max; Kusters, Remy; Storm, Cornelis; Hoogenraad, Casper C; Kapitein, Lukas C

2017-11-21

Dendritic spines are protrusions along neuronal dendrites that harbor the majority of excitatory postsynapses. Their distinct morphology, often featuring a bulbous head and small neck that connects to the dendritic shaft, has been shown to facilitate compartmentalization of electrical and cytoplasmic signaling stimuli elicited at the synapse. The extent to which spine morphology also forms a barrier for membrane-bound diffusion has remained unclear. Recent simulations suggested that especially the diameter of the spine neck plays a limiting role in this process. Here, we examine the connection between spine morphology and membrane-bound diffusion through a combination of photoconversion, live-cell superresolution experiments, and numerical simulations. Local photoconversion was used to obtain the timescale of diffusive equilibration in spines and followed by global sparse photoconversion to determine spine morphologies with nanoscopic resolution. These morphologies were subsequently used to assess the role of morphology on the diffusive equilibration. From the simulations, we could determine a robust relation between the equilibration timescale and a generalized shape factor calculated using both spine neck width and neck length, as well as spine head size. Experimentally, we found that diffusive equilibration was often slower, but rarely faster than predicted from the simulations, indicating that other biological confounders further reduce membrane-bound diffusion in these spines. This shape-dependent membrane-bound diffusion in mature spines may contribute to spine-specific compartmentalization of neurotransmitter receptors and signaling molecules and thereby support long-term plasticity of synaptic contacts. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Acceleration of metal-atom diffusion in electric field at metal/insulator interfaces: First-principles study

NASA Astrophysics Data System (ADS)

Nagasawa, Riki; Asayama, Yoshihiro; Nakayama, Takashi

2018-04-01

Metal-atom diffusion from metal electrodes into SiO2 in electric fields was studied using first-principles calculations. It was shown in the case without electric field that the diffusion barrier of a metal atom is mainly made of the cohesive energy of bulk metal layers, while the shape of the diffusion potential reflects the hybridization of the metal-atom state with metal-induced gap states (MIGSs) and the electron transfer between the metal atom and the electrode. We found that the metal-atom diffusion is markedly accelerated by the applied electric field, such that the diffusion barrier ϕB(E) decreases almost linearly with increasing electric field strength E. By analyzing the physical origins of the metal-atom diffusion, we derived the universal formula to estimate the diffusion barrier in the electric field, which is closely related to MIGSs.

Protective coatings for sensitive materials

DOEpatents

Egert, Charles M.

1997-01-01

An enhanced protective coating to prevent interaction between constituents of the environment and devices that can be damaged by those constituents. This coating is provided by applying a synergistic combination of diffusion barrier and physical barrier materials. These materials can be, for example, in the form of a plurality of layers of a diffusion barrier and a physical barrier, with these barrier layers being alternated. Further protection in certain instances is provided by including at least one layer of a getter material to actually react with one or more of the deleterious constituents. The coating is illustrated by using alternating layers of an organic coating (such as Parylene-C.TM.) as the diffusion barrier, and a metal coating (such as aluminum) as the physical barrier. For best results there needs to be more than one of at least one of the constituent layers.

Adsorption and diffusion of lithium in a graphene/blue-phosphorus heterostructure and the effect of an external electric field.

PubMed

Fan, Kaimin; Tang, Jing; Wu, Shiyun; Yang, Chengfu; Hao, Jiabo

2016-12-21

The adsorption and diffusion behaviors of lithium (Li) in a graphene/blue-phosphorus (G/BP) heterostructure have been investigated using a first principles method based on density functional theory (DFT). The effect of an external electric field on the adsorption and diffusion behaviors has also been investigated. The results show that the adsorption energy of Li on the graphene side of the G/BP heterostructure is higher than that on monolayer graphene, and Li adsorption on the BP side of the G/BP/Li system is slightly stronger than that on monolayer BP (BP/Li). The adsorption energy of Li reaches 2.47 eV, however, the energy barriers of Li diffusion decrease in the interlayer of the G/BP heterostructure. The results mentioned above suggest that the rate performance of the G/BP heterostructure is better than that of monolayer graphene. Furthermore, the adsorption energies of Li atoms in the three different most stable sites, i.e., H G , T P and H 1 sites, increase by about 0.49 eV, 0.26 eV, and 0.13 eV, respectively, as the electric field intensity reaches 0.6 V Å -1 . The diffusion energy barrier is significantly decreased by an external electric field. It is demonstrated that the external electric field can not only enhance the adsorption but can also modulate the diffusion barriers of Li atoms in the G/BP heterostructure.

Complementary Barrier Infrared Detector (CBIRD) with Double Tunnel Junction Contact and Quantum Dot Barrier Infrared Detector (QD-BIRD)

NASA Technical Reports Server (NTRS)

Ting, David Z.-Y; Soibel, Alexander; Khoshakhlagh, Arezou; Keo, Sam A.; Nguyen, Jean; Hoglund, Linda; Mumolo, Jason M.; Liu, John K.; Rafol, Sir B.; Hill, Cory J.;

Origins and implications of the ordering of oxygen vacancies and localized electrons on partially reduced CeO 2(111)

DOE PAGES

Sutton, Jonathan E.; Beste, Ariana; Steven H. Overbury

2015-10-12

In this study, we use density functional theory to explain the preferred structure of partially reduced CeO 2(111). Low-energy ordered structures are formed when the vacancies are isolated (maximized intervacancy separation) and the size of the Ce 3+ ions is minimized. Both conditions help minimize disruptions to the lattice around the vacancy. The stability of the ordered structures suggests that isolated vacancies are adequate for modeling more complex (e.g., catalytic) systems. Oxygen diffusion barriers are predicted to be low enough that O diffusion between vacancies is thermodynamically controlled at room temperature. The O-diffusion-reaction energies and barriers are decreased when onemore » Ce f electron hops from a nearest-neighbor Ce cation to a next-nearest-neighbor Ce cation, with a barrier that has been estimated to be slightly less than the barrier to O diffusion in the absence of polaron hopping. In conculsion, this indicates that polaron hopping plays a key role in facilitating the overall O diffusion process, and depending on the relative magnitudes of the polaron hopping and O diffusion barriers, polaron hopping may be the kinetically limiting process.« less

Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes

DOE PAGES

Liu, Yuanyue; Xiao, Hai; Goddard, III, William A.

2016-11-22

Two-dimensional (2D) metal carbides and nitrides, called MXenes, have attracted great interest for applications such as energy storage. Here we demonstrate their potential as Schottky-barrier-free metal contacts to 2D semiconductors, providing a solution to the contact-resistance problem in 2D electronics. Based on first principles calculations, we find that the surface chemistry strongly affects the Fermi level of MXenes: O termination always increases the work function with respect to that of bare surface, OH always decreases it, while F exhibits either trend depending on the specific material. This phenomenon originates from the effect of surface dipoles, which together with the weakmore » Fermi level pinning, enable Schottky-barrier-free hole (or electron) injection into 2D semiconductors through van der Waals junctions with some of the O-terminated (or all the OH-terminated) MXenes. Furthermore, we suggest synthetic routes to control the surface terminations based on the calculated formation energies. Finally, this study enhances the understanding of the correlation between surface chemistry and electronic/transport properties of 2D materials, and also gives practical predictions for improving 2D electronics.« less

Development and production integration of a planarized AlCu interconnect process for submicron CMOS

NASA Astrophysics Data System (ADS)

Brown, Kevin C.; Hill, Rodney; Reddy, Krishna; Gadepally, Kamesh

1995-09-01

A planarized aluminum alloy interconnect has been developed as an alternative to tungsten plugs for a 0.65 (mu) CMOS technology. Contact resistance can increase with either an inadequate RF sputter clean or titanium that is too thin to reduce the native oxide. Diffusion barrier results show that a minimum amount of titanium nitride, whether deposited conventionally or with collimation, is necessary for low junction leakage and good sort yield. Stacked contacts and vias are supported while via resistance and defect density are improved. Electrical bridging due to silicon residues from AlSiCu can be minimized with metal overetching, but not to the extent of AlCu. Sidewall pitting was observed to be due to galvanic corrosion from copper precipitate formation. Overall yield has been improved along with decreased wafer cost compared to conventional tungsten plug technology.

Effect of Pd Interlayer on Electrochemical Properties of ENIG Surface Finish in 3.5 wt.% NaCl Solution

NASA Astrophysics Data System (ADS)

Nam, N. D.; Bui, Q. V.; Nhan, H. T.; Phuong, D. V.; Bian, M. Z.

2014-09-01

The corrosion resistance of a multilayered (NiP-Pd-Au) coating with various thicknesses of palladium (Pd) interlayer deposited on copper by an electroless method was investigated using electrochemical techniques including potentiodynamic polarization and electrochemical impedance spectroscopy. In addition, the surface finish was examined by x-ray diffraction analysis and scanning electron microscopy, and the contact angle of the liquid-solid interface was recorded. The corrosion resistance of the copper substrate was considerably improved by Pd interlayer addition. Increase of the thickness of the Pd interlayer enhanced the performance of the Cu-NiP-Pd-Au coating due to low porosity, high protective efficiency, high charge-transfer resistance, and contact angle. These are attributed to the diffusion of layers in the Cu-NiP-Pd-Au coating acting as a physical barrier layer, leading to the protection provided by the coating.

Direct measurement of asperity contact growth in quartz at hydrothermal conditions

NASA Astrophysics Data System (ADS)

Beeler, N. M.; Hickman, S. H.

2008-12-01

Room-temperature friction and indentation experiments suggest fault strengthening during the interseismic period results from increases in asperity contact area due to solid-state deformation. However, field observations on exhumed fault zones indicate that solution-transport processes, pressure solution, crack healing and contact overgrowth, influence fault zone rheology near the base of the seismogenic zone. Contact overgrowths result from gradients in surface curvature, where material is dissolved from the pore walls, diffuses through the fluid and precipitates at the contact between two asperities, cementing the asperities together without convergence normal to the contact. To determine the mechanisms and kinetics of asperity cementation, we conducted laboratory experiments in which convex and flat lenses prepared from quartz single crystals were pressed together in an externally heated pressure vessel equipped with an optical observation port. Convergence between the two lenses and contact morphology were continuously monitored during these experiments using reflected-light interferometry through a long-working-distance microscope. Contact normal force is constant with an initial effective normal stress of 1.7 MPa. Four single-phase experiments were conducted at temperatures between 350 and 530C at 150 MPa water pressure, along with two controls: one single phase, dry at 425C and one bimaterial (qtz/sapphire) at 425C and 150 MPa water pressure. No contact growth or convergence was observed in either of the controls. For wet single-phase contacts, however, growth was initially rapid and then decreased with time following an inverse squared dependence of contact radius on aperture. No convergence was observed over the duration of these experiments, suggesting that neither significant pressure solution nor crystal plasticity occurred at these stresses and temperatures. The formation of fluid inclusions between the lenses indicate that the contact is not uniformly wetted. The contact is bounded by small regions of high aperture, reflecting local free-face dissolution as the source for the overgrowth, a definitive indication of diffusion-limited growth. Diffusion-limited growth is also consistent with the inverse squared aperture dependence. However, the apparent activation energy is ~125 kJ/mol, much higher than expected for silica diffusion in bulk water; at present we do not have a complete explanation for the high activation energy. When our lab-measured overgrowth rates are extrapolated to the 5 to 30 micron radius contacts inferred from near-field recordings of M-2 sized earthquakes in deep drill holes and mines (i.e., SAFOD and NELSAM), we predict rates of contact area increase that are orders of magnitude faster than seen in dry, room-temperature friction experiments. This suggests that natural strength recovery should be dominated by fluid-assisted processes at hypocentral conditions near the base of the seismogenic zone.

Effects of deposition temperature on the electrical properties of Ti/SiC Schottky barrier diodes

NASA Astrophysics Data System (ADS)

Oder, Tom N.; Kundeti, Krishna C.; Borucki, Nicholas; Isukapati, Sundar B.

2017-12-01

Ti Schottky contacts were deposited on n-type 4H-SiC at different temperatures ranging from 28 oC to 900 oC using a magnetron sputtering deposition system to fabricate Schottky barrier diodes. Post deposition annealing at 500 oC for up to 60 hours in vacuum was carried to further improve the contact properties. Optimum barrier height of 1.13 eV and ideality factor of 1.04 was obtained in contacts deposited at 200 oC and annealed for 60 hours. Under a reverse voltage bias of 400 V, the average leakage current on these set of diodes was 6.6 x 10-8 A. Based on the x-ray diffraction analysis, TiC, Ti5Si3 and Ti3SiC2 were formed at the Ti/SiC interface. These results could be beneficial to improving the performance of 4H-SiC Schottky diodes for high power and high temperature applications.

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

DOE PAGES

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang; ...

2016-06-01

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Fast diffusion of native defects and impurities in perovskite solar cell material CH 3NH 3PbI 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Dongwen; Ming, Wenmei; Shi, Hongliang

CH 3NH 3PbI 3-based solar cells have shown remarkable progress in recent years but have also suffered from structural, electrical, and chemical instabilities related to the soft lattices and the chemistry of these halides. One of the instabilities is ion migration, which may cause current–voltage hysteresis in CH 3NH 3PbI 3 solar cells. Significant ion diffusion and ionic conductivity in CH 3NH 3PbI 3 have been reported; their nature, however, remain controversial. In the literature, the use of different experimental techniques leads to the observation of different diffusing ions (either iodine or CH 3NH 3 ion); the calculated diffusion barriersmore » for native defects scatter in a wide range; the calculated defect formation energies also differ qualitatively. These controversies hinder the understanding and the control of the ion migration in CH 3NH 3PbI 3. In this paper, we show density functional theory calculations of both the diffusion barriers and the formation energies for native defects (V I +, MA i +, V MA –, and I i –) and the Au impurity in CH 3NH 3PbI 3. V I + is found to be the dominant diffusing defect due to its low formation energy and the low diffusion barrier. I i – and MA i + also have low diffusion barriers but their formation energies are relatively high. The hopping rate of V I + is further calculated taking into account the contribution of the vibrational entropy, confirming V I + as a fast diffuser. We discuss approaches for managing defect population and migration and suggest that chemically modifying surfaces, interfaces, and grain boundaries may be effective in controlling the population of the iodine vacancy and the device polarization. We further show that the formation energy and the diffusion barrier of Au interstitial in CH 3NH 3PbI 3 are both low. As a result, it is thus possible that Au can diffuse into CH3NH3PbI3 under bias in devices (e.g., solar cell, photodetector) with Au/CH 3NH 3PbI 3 interfaces and modify the electronic properties of CH 3NH 3PbI 3.« less

Flux-trapping during the formation of field-reversed configurations

NASA Astrophysics Data System (ADS)

Armstrong, W. T.; Harding, D. G.; Crawford, E. A.; Hoffman, A. L.

1981-10-01

Optimized trapping of bias flux during the early formation phases of a Field Reversed Configuration was studied experimentally on the field reversed theta pinch TRX-1. An annular z-pinch preionizer was employed to permit ionization at high values of initial reverse bias flux. Octopole barrier fields are pulsed during field reversal to minimize plasma/wall contact and associated loss of reverse flux. Also, second half cycle operation was examined in obtaining very high values of reverse flux. Flux loss is generally observed to be governed by resistive diffusion through a current sheath at the plasma boundary, rather than flux convection to the plasma boundary. Trapped reverse flux at the time of field reversal, as well as after the radial implosion, is observed to increase with the applied bias field. This increase is greatest, and in fact nearly linear with bias field, when barrier fields are employed. Barrier fields also appear to broaden the current sheath, which results in some flux loss and a less dynamic radial implosion. A general model and one dimensional simulation of flux loss is described and correlated with experimental results.

Fabrication process development of SiC/superalloy composite sheet for exhaust system components

NASA Technical Reports Server (NTRS)

Cornie, J. A.; Cook, C. S.; Anderson, C. A.

1976-01-01

A chemical compatibility study was conducted between SiC filament and the following P/M matrix alloys: Waspaloy, Hastelloy-X, NiCrAlY, Ha-188, S-57, FeCrAlY, and Incoloy 800. None of the couples demonstrated sufficient chemical compatibility to withstand the minimum HIP consolidation temperatures (996 C) or intended application temperature of the composite (982 C). However, Waspaloy, Haynes 188, and Hastelloy-X were the least reactive with SiC of the candidate alloys. Chemical vapor deposited tungsten was shown to be an effective diffusion barrier between the superalloy matrix and SiC filament providing a defect-free coating of sufficient thickness. However, the coating breaks down when the tungsten is converted into intermetallic compounds by interdiffusion with matrix constituents. Waspaloy was demonstrated to be the most effective matrix alloy candidate in contact with the CVD tungsten barrier because of its relatively low growth rate constant of the intermediate compound and the lack of formation of Kirkendall voids at the matrix-barrier interface. Fabrication methods were developed for producing panels of uniaxial and angle ply composites utilizing CVD tungsten coated filament.

Surface charge- and space-dependent transport of proteins in crowded environments of nanotailored posts.

PubMed

Choi, Chang Kyoung; Fowlkes, Jason D; Retterer, Scott T; Siuti, Piro; Iyer, Sukanya; Doktycz, Mitchel J

2010-06-22

The reaction and diffusion of molecules across barriers and through crowded environments is integral to biological system function and to separation technologies. Ordered, microfabricated post arrays are a promising route to creating synthetic barriers with controlled chemical and physical characteristics. They can be used to create crowded environments, to mimic aspects of cellular membranes, and to serve as engineered replacements of polymer-based separation media. Here, the translational diffusion of fluorescein isothiocyante and various forms of green fluorescent protein (GFP), including "supercharged" variants, are examined in a silicon-based post array environment. The technique of fluorescence recovery after photobleaching (FRAP) is combined with analytical approximations and numerical simulations to assess the relative effects of reaction and diffusion on molecular transport, respectively. FRAP experiments were conducted for 64 different cases where the molecular species, the density of the posts, and the chemical surface charge of the posts were varied. In all cases, the dense packing of the posts hindered the diffusive transport of the fluorescent species. The supercharged GFPs strongly interacted with oppositely charged surfaces. With similar molecular and surface charges, transport is primarily limited by hindered diffusion. For conventional, enhanced GFP in a positively charged surface environment, transport was limited by the coupled action of hindered diffusion and surface interaction with the posts. Quantification of the size-, space-, time-, and charge-dependent translational diffusion in the post array environments can provide insight into natural processes and guide the design and development of selective membrane systems.

Critical short-time dynamics in a system with interacting static and diffusive populations

NASA Astrophysics Data System (ADS)

Argolo, C.; Quintino, Yan; Gleria, Iram; Lyra, M. L.

2012-01-01

We study the critical short-time dynamical behavior of a one-dimensional model where diffusive individuals can infect a static population upon contact. The model presents an absorbing phase transition from an active to an inactive state. Previous calculations of the critical exponents based on quasistationary quantities have indicated an unusual crossover from the directed percolation to the diffusive contact process universality classes. Here we show that the critical exponents governing the slow short-time dynamic evolution of several relevant quantities, including the order parameter, its relative fluctuations, and correlation function, reinforce the lack of universality in this model. Accurate estimates show that the critical exponents are distinct in the regimes of low and high recovery rates.

Cell based metabolic barriers to glucose diffusion: macrophages and continuous glucose monitoring.

PubMed

Klueh, Ulrike; Frailey, Jackman T; Qiao, Yi; Antar, Omar; Kreutzer, Donald L

2014-03-01

It is assumed that MQ are central to glucose sensor bio-fouling and therefore have a major negative impact on continuous glucose monitoring (CGM) performance in vivo. However to our knowledge there is no data in the literature to directly support or refute this assumption. Since glucose and oxygen (O2) are key to glucose sensor function in vivo, understanding and controlling glucose and O2 metabolic activity of MQ is likely key to successful glucose sensor performance. We hypothesized that the accumulation of MQ at the glucose sensor-tissue interface will act as "Cell Based Metabolic Barriers" (CBMB) to glucose diffusing from the interstitial tissue compartment to the implanted glucose sensor and as such creating an artificially low sensor output, thereby compromising sensor function and CGM. Our studies demonstrated that 1) direct injections of MQ at in vivo sensor implantation sites dramatically decreased sensor output (measured in nA), 2) addition of MQ to glucose sensors in vitro resulted in a rapid and dramatic fall in sensor output and 3) lymphocytes did not affect sensor function in vitro or in vivo. These data support our hypothesis that MQ can act as metabolic barriers to glucose and O2 diffusion in vivo and in vitro. Copyright © 2014 Elsevier Ltd. All rights reserved.

The role of skin barrier in occupational contact dermatitis.

PubMed

Jakasa, Ivone; Thyssen, Jacob P; Kezic, Sanja

2018-06-12

Skin diseases represent one of the most common work-related diseases and may have a detrimental effect on social, personal and occupational aspects of life. Contact dermatitis, which comprises predominately irritant contact dermatitis (ICD) and allergic contact dermatitis (ACD) accounts for vast majority of occupational skin diseases, especially in occupations associated with frequent skin contact with irritants and contact allergens. Although ICD and ACD have similar clinical manifestation, their pathophysiology and the role of the skin barrier is different. In ICD, perturbation of the skin barrier is the primary event which sets into motion diverse metabolic processes and triggers activation of innate immunity without involvement of adaptive immune system. In ACD, a type IV hypersensitivity reaction induced by contact allergens, the skin barrier impairment may evoke innate signaling pathways during the sensitization phase required for the activation of T-cell adaptive response. Thus, skin barrier impairment may increase the risk of ICD or ACD not only because of enhanced permeability and ingress of irritants and allergens, but also by generation of innate immune signal needed for the induction of allergic response. Hence, an efficient way to prevent CD is to avoid skin barrier damage in the workplace. This review focuses on the skin barrier, how it is affected by skin irritants and how its impairment contributes to development of ICD and ACD. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Influence of surface wettability on transport mechanisms governing water droplet evaporation.

PubMed

Pan, Zhenhai; Weibel, Justin A; Garimella, Suresh V

2014-08-19

Prediction and manipulation of the evaporation of small droplets is a fundamental problem with importance in a variety of microfluidic, microfabrication, and biomedical applications. A vapor-diffusion-based model has been widely employed to predict the interfacial evaporation rate; however, its scope of applicability is limited due to incorporation of a number of simplifying assumptions of the physical behavior. Two key transport mechanisms besides vapor diffusion-evaporative cooling and natural convection in the surrounding gas-are investigated here as a function of the substrate wettability using an augmented droplet evaporation model. Three regimes are distinguished by the instantaneous contact angle (CA). In Regime I (CA ≲ 60°), the flat droplet shape results in a small thermal resistance between the liquid-vapor interface and substrate, which mitigates the effect of evaporative cooling; upward gas-phase natural convection enhances evaporation. In Regime II (60 ≲ CA ≲ 90°), evaporative cooling at the interface suppresses evaporation with increasing contact angle and counterbalances the gas-phase convection enhancement. Because effects of the evaporative cooling and gas-phase convection mechanisms largely neutralize each other, the vapor-diffusion-based model can predict the overall evaporation rates in this regime. In Regime III (CA ≳ 90°), evaporative cooling suppresses the evaporation rate significantly and reverses entirely the direction of natural convection induced by vapor concentration gradients in the gas phase. Delineation of these counteracting mechanisms reconciles previous debate (founded on single-surface experiments or models that consider only a subset of the governing transport mechanisms) regarding the applicability of the classic vapor-diffusion model. The vapor diffusion-based model cannot predict the local evaporation flux along the interface for high contact angle (CA ≥ 90°) when evaporative cooling is strong and the temperature gradient along the interface determines the peak local evaporation flux.

Protective coatings for sensitive materials

DOEpatents

Egert, C.M.

1997-08-05

An enhanced protective coating is disclosed to prevent interaction between constituents of the environment and devices that can be damaged by those constituents. This coating is provided by applying a synergistic combination of diffusion barrier and physical barrier materials. These materials can be, for example, in the form of a plurality of layers of a diffusion barrier and a physical barrier, with these barrier layers being alternated. Further protection in certain instances is provided by including at least one layer of a getter material to actually react with one or more of the deleterious constituents. The coating is illustrated by using alternating layers of an organic coating (such as Parylene-C{trademark}) as the diffusion barrier, and a metal coating (such as aluminum) as the physical barrier. For best results there needs to be more than one of at least one of the constituent layers. 4 figs.

Development of lithium diffused radiation resistant solar cells, part 2

NASA Technical Reports Server (NTRS)

Payne, P. R.; Somberg, H.

1971-01-01

The work performed to investigate the effect of various process parameters on the performance of lithium doped P/N solar cells is described. Effort was concentrated in four main areas: (1) the starting material, (2) the boron diffusion, (3) the lithium diffusion, and (4) the contact system. Investigation of starting material primarily involved comparison of crucible grown silicon (high oxygen content) and Lopex silicon (low oxygen content). In addition, the effect of varying growing parameters of crucible grown silicon on lithium cell output was also examined. The objective of the boron diffusion studies was to obtain a diffusion process which produced high efficiency cells with minimal silicon stressing and could be scaled up to process 100 or more cells per diffusion. Contact studies included investigating sintering of the TiAg contacts and evaluation of the contact integrity.

Nonlocal transport in the presence of transport barriers

NASA Astrophysics Data System (ADS)

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.

Organic [6,6]-phenyl-C61-butyric-acid-methyl-ester field effect transistors: Analysis of the contact properties by combined photoemission spectroscopy and electrical measurements

NASA Astrophysics Data System (ADS)

Scheinert, S.; Grobosch, M.; Sprogies, J.; Hörselmann, I.; Knupfer, M.; Paasch, G.

2013-05-01

Carrier injection barriers determined by photoemission spectroscopy for organic/metal interfaces are widely accepted to determine the performance of organic field-effect transistors (OFET), which strongly depends on this interface at the source/drain contacts. This assumption is checked here in detail, and a more sophisticated connection is presented. According to the preparation process described in our recently published article [S. Scheinert, J. Appl. Phys. 111, 064502 (2012)], we prepared PCBM/Au and PCBM/Al samples to characterize the interface by photoemission and electrical measurements of PCBM based OFETs with bottom and top (TOC) contacts, respectively. The larger drain currents for TOC OFETs indicate the presence of Schottky contacts at source/drain for both metals. The hole injection barrier as determined by photoemission is 1.8 eV for both Al and Au. Therefore, the electron injection barriers are also the same. In contrast, the drain currents are orders of magnitude larger for the transistors with the Al contacts than for those with the Au contacts. We show that indeed the injection is determined by two other properties measured also by photoemission, the (reduced) work functions, and the interface dipoles, which have different sign for each contact material. In addition, we demonstrate by core-level and valence band photoemission that the deposition of gold as top contact onto PCBM results in the growth of small gold clusters. With increasing gold coverage, the clusters grow inside and begin to form a metallic, but not uniform, closed film onto PCBM.

First-principles investigation of point defect and atomic diffusion in Al2Ca

NASA Astrophysics Data System (ADS)

Tian, Xiao; Wang, Jia-Ning; Wang, Ya-Ping; Shi, Xue-Feng; Tang, Bi-Yu

2017-04-01

Point defects and atomic diffusion in Al2Ca have been studied from first-principles calculations within density functional framework. After formation energy and relative stability of point defects are investigated, several predominant diffusion processes in Al2Ca are studied, including sublattice one-step mechanism, 3-jump vacancy cycles and antistructure sublattice mechanism. The associated energy profiles are calculated with climbing image nudged elastic band (CI-NEB) method, then the saddle points and activation barriers during atomic diffusion are further determined. The resulted activation barriers show that both Al and Ca can diffuse mainly mediated by neighbor vacancy on their own sublattice. 3-jump cycle mechanism mediated by VCa may make some contribution to the overall Al diffusion. And antistructure (AS) sublattice mechanism can also play an important role in Ca atomic diffusion owing to the moderate activation barrier.

Edge-induced Schottky barrier modulation at metal contacts to exfoliated molybdenum disulfide flakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nouchi, Ryo, E-mail: r-nouchi@21c.osakafu-u.ac.jp

2016-08-14

Ultrathin two-dimensional semiconductors obtained from layered transition-metal dichalcogenides such as molybdenum disulfide (MoS{sub 2}) are promising for ultimately scaled transistors beyond Si. Although the shortening of the semiconductor channel is widely studied, the narrowing of the channel, which should also be important for scaling down the transistor, has been examined to a lesser degree thus far. In this study, the impact of narrowing on mechanically exfoliated MoS{sub 2} flakes was investigated according to the channel-width-dependent Schottky barrier heights at Cr/Au contacts. Narrower channels were found to possess a higher Schottky barrier height, which is ascribed to the edge-induced band bendingmore » in MoS{sub 2}. The higher barrier heights degrade the transistor performance as a higher electrode-contact resistance. Theoretical analyses based on Poisson's equation showed that the edge-induced effect can be alleviated by a high dopant impurity concentration, but this strategy should be limited to channel widths of roughly 0.7 μm because of the impurity-induced charge-carrier mobility degradation. Therefore, proper termination of the dangling bonds at the edges should be necessary for aggressive scaling with layered semiconductors.« less

A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.

PubMed

Klähn, Marco; Seduraman, Abirami; Wu, Ping

2008-11-06

We propose a novel self-diffusion model for ionic liquids on an atomic level of detail. The model is derived from molecular dynamics simulations of guanidinium-based ionic liquids (GILs) as a model case. The simulations are based on an empirical molecular mechanical force field, which has been developed in our preceding work, and it relies on the charge distribution in the actual liquid. The simulated GILs consist of acyclic and cyclic cations that were paired with nitrate and perchlorate anions. Self-diffusion coefficients are calculated at different temperatures from which diffusive activation energies between 32-40 kJ/mol are derived. Vaporization enthalpies between 174-212 kJ/mol are calculated, and their strong connection with diffusive activation energies is demonstrated. An observed formation of cavities in GILs of up to 6.5% of the total volume does not facilitate self-diffusion. Instead, the diffusion of ions is found to be determined primarily by interactions with their immediate environment via electrostatic attraction between cation hydrogen and anion oxygen atoms. The calculated average time between single diffusive transitions varies between 58-107 ps and determines the speed of diffusion, in contrast to diffusive displacement distances, which were found to be similar in all simulated GILs. All simulations indicate that ions diffuse by using a brachiation type of movement: a diffusive transition is initiated by cleaving close contacts to a coordinated counterion, after which the ion diffuses only about 2 A until new close contacts are formed with another counterion in its vicinity. The proposed diffusion model links all calculated energetic and dynamic properties of GILs consistently and explains their molecular origin. The validity of the model is confirmed by providing an explanation for the variation of measured ratios of self-diffusion coefficients of cations and paired anions over a wide range of values, encompassing various ionic liquid classes as well as the simulated GILs. The proposed diffusion model facilitates the qualitative a priori prediction of the impact of ion modifications on the diffusive characteristics of new ionic liquids.

Diffusion Barrier Selection from Refractory Metals (Zr, Mo and Nb) via Interdiffusion Investigation for U-Mo RERTR Fuel Alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

K. Huang; C. Kammerer; D. D. Keiser, Jr.

2014-04-01

U-Mo alloys are being developed as low enrichment monolithic fuel under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. Diffusional interactions between the U-Mo fuel alloy and Al-alloy cladding within the monolithic fuel plate construct necessitate incorporation of a barrier layer. Fundamentally, a diffusion barrier candidate must have good thermal conductivity, high melting point, minimal metallurgical interaction, and good irradiation performance. Refractory metals, Zr, Mo, and Nb are considered based on their physical properties, and the diffusion behavior must be carefully examined first with U-Mo fuel alloy. Solid-to-solid U-10wt.%Mo vs. Mo, Zr, or Nb diffusion couples were assembledmore » and annealed at 600, 700, 800, 900 and 1000 degrees C for various times. The interdiffusion microstructures and chemical composition were examined via scanning electron microscopy and electron probe microanalysis, respectively. For all three systems, the growth rate of interdiffusion zone were calculated at 1000, 900 and 800 degrees C under the assumption of parabolic growth, and calculated for lower temperature of 700, 600 and 500 degrees C according to Arrhenius relationship. The growth rate was determined to be about 10 3 times slower for Zr, 10 5 times slower for Mo and 10 6 times slower for Nb, than the growth rates reported for the interaction between the U-Mo fuel alloy and pure Al or Al-Si cladding alloys. Zr, however was selected as the barrier metal due to a concern for thermo- mechanical behavior of UMo/Nb interface observed from diffusion couples, and for ductile-to-brittle transition of Mo near room temperature.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Custer, Jonathan S.; Fleming, James G.; Roherty-Osmun, Elizabeth

Refractory ternary nitride films for diffusion barriers in microelectronics have been grown using chemical vapor deposition. Thin films of titanium-silicon-nitride, tungsten-boron-nitride, and tungsten-silicon-nitride of various compositions have been deposited on 150 mm Si wafers. The microstructure of the films are either fully amorphous for the tungsten based films, or nauocrystalline TiN in an amorphous matrix for titanium-silicon-nitride. All films exhibit step coverages suitable for use in future microelectronics generations. Selected films have been tested as diffusion barriers between copper and silicon, and generally perform extremely weH. These fiIms are promising candidates for advanced diffusion barriers for microelectronics applications. The manufacturingmore » of silicon wafers into integrated circuits uses many different process and materials. The manufacturing process is usually divided into two parts: the front end of line (FEOL) and the back end of line (BEOL). In the FEOL the individual transistors that are the heart of an integrated circuit are made on the silicon wafer. The responsibility of the BEOL is to wire all the transistors together to make a complete circuit. The transistors are fabricated in the silicon itself. The wiring is made out of metal, currently aluminum and tungsten, insulated by silicon dioxide, see Figure 1. Unfortunately, silicon will diffuse into aluminum, causing aluminum spiking of junctions, killing transistors. Similarly, during chemical vapor deposition (CVD) of tungsten from ~fj, the reactivity of the fluorine can cause "worn-holes" in the silicon, also destroying transistors. The solution to these problems is a so-called diffusion barrier, which will allow current to pass from the transistors to the wiring, but will prevent reactions between silicon and the metal.« less

Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface

NASA Astrophysics Data System (ADS)

Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Wang, Yangang; Hupalo, Myron; McDougall, Dan; Tringides, Michael; Ho, Kaiming

2013-12-01

The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H2 molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H2 molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.

Tin-phthalocyanine adsorption and diffusion on Cu and Au (111) surfaces: A density functional theory study

NASA Astrophysics Data System (ADS)

Qin, Dan; Ge, Xu-Jin; Lü, Jing-Tao

2018-05-01

Through density functional theory based calculations, we study the adsorption and diffusion of tin phthalocyanine (SnPc) molecule on Au(111) and Cu(111) surfaces. SnPc has two conformers with Sn pointing to the vacuum (Sn-up) and substrate (Sn-down), respectively. The binding energies of the two conformers with different adsorption sites on the two surfaces, including top, bridge, fcc, hcp, are calculated and compared. It is found that the SnPc molecule binds stronger on Cu(111) surface, with binding energy about 1 eV larger than that on Au(111). Only the bridge and top adsorption sites are stable on Cu(111), while all the four adsorption sites are stable on Au(111), with small diffusion barriers between them. Moreover, the flipping barrier from Sn-up to Sn-down conformer is of the same magnitude on the two metal surfaces. These results are consistent with a recent experiment [Zhang, et al., Angew. Chem., 56, 11769 (2017)], which shows that conformation change from Sn-up to Sn-down on Cu(111) surface can be induced by a C60-functionalized STM tip, while similar change is difficult to realize on Au(111), due to smaller diffusion barrier on Au(111).

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

NASA Astrophysics Data System (ADS)

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.

Numerical investigation of metal-semiconductor-insulator-semiconductor passivated hole contacts based on atomic layer deposited AlO x

NASA Astrophysics Data System (ADS)

Ke, Cangming; Xin, Zheng; Ling, Zhi Peng; Aberle, Armin G.; Stangl, Rolf

2017-08-01

Excellent c-Si tunnel layer surface passivation has been obtained recently in our lab, using atomic layer deposited aluminium oxide (ALD AlO x ) in the tunnel layer regime of 0.9 to 1.5 nm, investigated to be applied for contact passivation. Using the correspondingly measured interface properties, this paper compares the theoretical collection efficiency of a conventional metal-semiconductor (MS) contact on diffused p+ Si to a metal-semiconductor-insulator-semiconductor (MSIS) contact on diffused p+ Si or on undoped n-type c-Si. The influences of (1) the tunnel layer passivation quality at the tunnel oxide interface (Q f and D it), (2) the tunnel layer thickness and the electron and hole tunnelling mass, (3) the tunnel oxide material, and (4) the semiconductor capping layer material properties are investigated numerically by evaluation of solar cell efficiency, open-circuit voltage, and fill factor.

Ultra-high gain diffusion-driven organic transistor.

PubMed

Torricelli, Fabrizio; Colalongo, Luigi; Raiteri, Daniele; Kovács-Vajna, Zsolt Miklós; Cantatore, Eugenio

2016-02-01

Emerging large-area technologies based on organic transistors are enabling the fabrication of low-cost flexible circuits, smart sensors and biomedical devices. High-gain transistors are essential for the development of large-scale circuit integration, high-sensitivity sensors and signal amplification in sensing systems. Unfortunately, organic field-effect transistors show limited gain, usually of the order of tens, because of the large contact resistance and channel-length modulation. Here we show a new organic field-effect transistor architecture with a gain larger than 700. This is the highest gain ever reported for organic field-effect transistors. In the proposed organic field-effect transistor, the charge injection and extraction at the metal-semiconductor contacts are driven by the charge diffusion. The ideal conditions of ohmic contacts with negligible contact resistance and flat current saturation are demonstrated. The approach is general and can be extended to any thin-film technology opening unprecedented opportunities for the development of high-performance flexible electronics.

Ultra-high gain diffusion-driven organic transistor

NASA Astrophysics Data System (ADS)

Torricelli, Fabrizio; Colalongo, Luigi; Raiteri, Daniele; Kovács-Vajna, Zsolt Miklós; Cantatore, Eugenio

2016-02-01

Emerging large-area technologies based on organic transistors are enabling the fabrication of low-cost flexible circuits, smart sensors and biomedical devices. High-gain transistors are essential for the development of large-scale circuit integration, high-sensitivity sensors and signal amplification in sensing systems. Unfortunately, organic field-effect transistors show limited gain, usually of the order of tens, because of the large contact resistance and channel-length modulation. Here we show a new organic field-effect transistor architecture with a gain larger than 700. This is the highest gain ever reported for organic field-effect transistors. In the proposed organic field-effect transistor, the charge injection and extraction at the metal-semiconductor contacts are driven by the charge diffusion. The ideal conditions of ohmic contacts with negligible contact resistance and flat current saturation are demonstrated. The approach is general and can be extended to any thin-film technology opening unprecedented opportunities for the development of high-performance flexible electronics.

Derivation of a continuum model and the energy law for moving contact lines with insoluble surfactants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zhen, E-mail: matzz@nus.edu.sg; Xu, Shixin, E-mail: matxs@nus.edu.sg; Ren, Weiqing, E-mail: matrw@nus.edu.sg

2014-06-15

A continuous model is derived for the dynamics of two immiscible fluids with moving contact lines and insoluble surfactants based on thermodynamic principles. The continuum model consists of the Navier-Stokes equations for the dynamics of the two fluids and a convection-diffusion equation for the evolution of the surfactant on the fluid interface. The interface condition, the boundary condition for the slip velocity, and the condition for the dynamic contact angle are derived from the consideration of energy dissipations. Different types of energy dissipations, including the viscous dissipation, the dissipations on the solid wall and at the contact line, as wellmore » as the dissipation due to the diffusion of surfactant, are identified from the analysis. A finite element method is developed for the continuum model. Numerical experiments are performed to demonstrate the influence of surfactant on the contact line dynamics. The different types of energy dissipations are compared numerically.« less

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

NASA Astrophysics Data System (ADS)

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.

Alloyed coatings for dispersion strengthened alloys

NASA Technical Reports Server (NTRS)

Wermuth, F. R.; Stetson, A. R.

1971-01-01

Processing techniques were developed for applying several diffusion barriers to TD-Ni and TD-NiCr. Barrier coated specimens of both substrates were clad with Ni-Cr-Al and Fe-Cr-Al alloys and diffusion annealed in argon. Measurement of the aluminum distribution after annealing showed that, of the readily applicable diffusion barriers, a slurry applied tungsten barrier most effectively inhibited the diffusion of aluminum from the Ni-Cr-Al clad into the TD-alloy substrates. No barrier effectively limited interdiffusion of the Fe-Cr-Al clad with the substrates. A duplex process was then developed for applying Ni-Cr-Al coating compositions to the tungsten barrier coated substrates. A Ni-(16 to 32)Cr-3Si modifier was applied by slurry spraying and firing in vacuum, and was then aluminized by a fusion slurry process. Cyclic oxidation tests at 2300 F resulted in early coating failure due to inadequate edge coverage and areas of coating porosity. EMP analysis showed that oxidation had consumed 70 to 80 percent of the aluminum in the coating in less than 50 hours.

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

NASA Astrophysics Data System (ADS)

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.

Knowledge, usage and barriers associated with contact lens wear in Ghana.

PubMed

Abokyi, Samuel; Manuh, George; Otchere, Heinz; Ilechie, Alex

2017-10-01

Despite findings that contact lens wear for vision correction provides better quality of life than spectacles, contact lens use in developing countries is low. This study evaluated knowledge, usage and barriers associated with contact lens wear among spectacle wearers in Cape Coast, Ghana. A cross-sectional survey using a structured questionnaire was conducted on an adult population of spectacle wearers to assess their knowledge of contact lens wear for vision correction. The participants were proportionately sampled from three eye clinics in the Cape Coast Metropolis, Ghana. Questionnaires were either self-administered or completed with the help of a research assistant. Of the 422 participants, only 147 (34.8%) knew of contact lens wear for vision correction. The proportion of spectacle wearers reporting history of contact lens wear was 14 (3.3%). Barriers to contact lens wear reported were satisfaction with vision through spectacles 102 (25.0%), lack of adequate information 111 (27.2%), fear of side effects 94 (23.0%) and cost 78 (19.1%). The younger adults and those with higher number of changes of spectacles were more likely to know of contact lenses. Knowledge and usage of contact lenses among spectacle wearers was low. Contact lens education and demonstration of visual performance through fitting of trial contact lenses on potential candidates may help overcome barriers to contact lens wear. Published by Elsevier Ltd.

Effects of awareness diffusion and self-initiated awareness behavior on epidemic spreading - An approach based on multiplex networks

NASA Astrophysics Data System (ADS)

Kan, Jia-Qian; Zhang, Hai-Feng

2017-03-01

In this paper, we study the interplay between the epidemic spreading and the diffusion of awareness in multiplex networks. In the model, an infectious disease can spread in one network representing the paths of epidemic spreading (contact network), leading to the diffusion of awareness in the other network (information network), and then the diffusion of awareness will cause individuals to take social distances, which in turn affects the epidemic spreading. As for the diffusion of awareness, we assume that, on the one hand, individuals can be informed by other aware neighbors in information network, on the other hand, the susceptible individuals can be self-awareness induced by the infected neighbors in the contact networks (local information) or mass media (global information). Through Markov chain approach and numerical computations, we find that the density of infected individuals and the epidemic threshold can be affected by the structures of the two networks and the effective transmission rate of the awareness. However, we prove that though the introduction of the self-awareness can lower the density of infection, which cannot increase the epidemic threshold no matter of the local information or global information. Our finding is remarkably different to many previous results on single-layer network: local information based behavioral response can alter the epidemic threshold. Furthermore, our results indicate that the nodes with more neighbors (hub nodes) in information networks are easier to be informed, as a result, their risk of infection in contact networks can be effectively reduced.

Nanolubrication: patterned lubricating films using ultraviolet (UV) irradiation on hard disks.

PubMed

Zhang, J; Hsu, S M; Liew, Y F

2007-01-01

Nanolubrication is emerging to be the key technical barrier in many devices. One of the key attributes for successful device lubrication is self-sustainability using only several molecular layers. For single molecular species lubrication, one desires bonding strength and molecular mobility to repair the contact by diffusing back to the contact. One way to achieve this is the use of mask to shield the surface with a patterned surface texture, put a monolayer on the surface and induce bonding. Then re-deposit mobile molecules on the surface to bring the thickness back to the desired thickness. This paper describes the use of long wavelength UV irradiation (320-390 nm) to induce bonding of a perfluoropolyether (PFPE) on CN(x) disks for magnetic hard disk application. This allows the use of irradiation to control the degree of bonding on CN(x) coatings. The effect of induced bonding based on this wavelength was studied by comparing 100% mobile PFPE, 100% bonded PFPE, and a mixture of mobile and bonded PFPE in a series of laboratory tests. Using a lateral force microscope, a diamond-tipped atomic force microscope, and a ball-on-inclined plane apparatus, the friction and wear characteristics of these three cases were obtained. Results suggested that the mixed PFPE has the highest shear rupture strength.

Dynamic surface tension and adsorption mechanism of surfactin biosurfactant at the air-water interface.

PubMed

Onaizi, Sagheer A

2018-03-01

The dynamic adsorption of the anionic biosurfactant, surfactin, at the air-water interface has been investigated in this work and compared to those of two synthetic surfactants: the anionic sodium dodecylbenzenesulfonate (SDBS) and the nonionic octaethylene glycol monotetradecyl ether (C 14 E 8 ). The results revealed that surfactin adsorption at the air-water interface is purely controlled by diffusion mechanism at the initial stage of the adsorption process (i.e., [Formula: see text]), but shifts towards a mixed diffusion-barrier mechanism when surface tension approaches equilibrium (i.e., [Formula: see text]) due to the development of an energy barrier for adsorption. Such energy barrier has been found to be a function of the surfactin bulk concentration (increases with increasing surfactin concentration) and it is estimated to be in the range of 1.8-9.5 kJ/mol. Interestingly, such a trend (pure diffusion-controlled mechanism at [Formula: see text] and mixed diffusion-barrier mechanism at [Formula: see text]) has been also observed for the nonionic C 14 E 8 surfactant. Unlike the pure diffusion-controlled mechanism of the initial surfactin adsorption, which was the case in the presence and the absence of the sodium ion (Na + ), SDBS showed a mixed diffusion-barrier controlled at both short and long time, with an energy barrier of 3.0-9.0 and 3.8-18.0 kJ/mol, respectively. Such finding highlights the nonionic-like adsorption mechanism of surfactin despite its negative charge.

Migration mechanisms and diffusion barriers of vacancies in Ga2O3

NASA Astrophysics Data System (ADS)

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.

First-principles-based kinetic Monte Carlo studies of diffusion of hydrogen in Ni–Al and Ni–Fe binary alloys

DOE PAGES

Tafen, De Nyago

2015-02-14

The diffusion of dilute hydrogen in fcc Ni–Al and Ni–Fe binary alloys was examined using kinetic Monte Carlo method with input kinetic parameters obtained from first-principles density functional theory. The simulation involves the implementation of computationally efficient energy barrier model that describes the configuration dependence of the hydrogen hopping. The predicted hydrogen diffusion coefficients in Ni and Ni 89.4Fe 10.6 are compared well with the available experimental data. In Ni–Al, the model predicts lower hydrogen diffusivity compared to that in Ni. Overall, diffusion prefactors and the effective activation energies of H in Ni–Fe and Ni–Al are concentration dependent of themore » alloying element. Furthermore, the changes in their values are the results of the short-range order (nearest-neighbor) effect on the interstitial diffusion of hydrogen in fcc Ni-based alloys.« less

Very low Schottky barrier height at carbon nanotube and silicon carbide interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaba, Masafumi, E-mail: inaba-ma@ruri.waseda.jp; Suzuki, Kazuma; Shibuya, Megumi

2015-03-23

Electrical contacts to silicon carbide with low contact resistivity and high current durability are crucial for future SiC power devices, especially miniaturized vertical-type devices. A carbon nanotube (CNT) forest formed by silicon carbide (SiC) decomposition is a densely packed forest, and is ideal for use as a heat-dissipative ohmic contact in SiC power transistors. The contact resistivity and Schottky barrier height in a Ti/CNT/SiC system with various SiC dopant concentrations were evaluated in this study. Contact resistivity was evaluated in relation to contact area. The Schottky barrier height was calculated from the contact resistivity. As a result, the Ti/CNT/SiC contactmore » resistivity at a dopant concentration of 3 × 10{sup 18 }cm{sup −3} was estimated to be ∼1.3 × 10{sup −4} Ω cm{sup 2} and the Schottky barrier height of the CNT/SiC contact was in the range of 0.40–0.45 eV. The resistivity is relatively low for SiC contacts, showing that CNTs have the potential to be a good ohmic contact material for SiC power electronic devices.« less

Visiting Mom: A pilot evaluation of a prison-based visiting program serving incarcerated mothers and their minor children.

PubMed

Schubert, Erin C; Duininck, Megan; Shlafer, Rebecca J

2016-01-01

We describe an evaluation of a prison visiting program, Extended Visiting (EV), for incarcerated mothers and their children. Mothers ( N = 24) and caregivers ( N = 19) were interviewed regarding experiences with the program. Mothers identified benefits including maintaining a relationship with children, physical contact, motivation, privacy, peer support, and personal growth. Caregivers echoed mothers' appreciation for the opportunity to maintain mother-child relationships and physical contact. Mothers identified barriers including desire for overnight visits and more age-appropriate activities. Caregivers perceived travel time and costs and children's adverse reactions as barriers. When comparing EV to typical visiting, participants unanimously preferred EV.

Electrochemical doping for lowering contact barriers in organic field effect transistors

PubMed Central

Schaur, Stefan; Stadler, Philipp; Meana-Esteban, Beatriz; Neugebauer, Helmut; Serdar Sariciftci, N.

2012-01-01

By electrochemically p-doping pentacene in the vicinity of the source-drain electrodes in organic field effect transistors the injection barrier for holes is decreased. The focus of this work is put on the influence of the p-doping process on the transistor performance. Cyclic voltammetry performed on a pentacene based transistor exhibits a reversible p-doping response. This doped state is evoked at the transistor injection electrodes. An improvement is observed when comparing transistor characteristics before and after the doping process apparent by an improved transistor on-current. This effect is reflected in the analysis of the contact resistances of the devices. PMID:23483101

Atomistic Modeling of Cation Diffusion in Transition Metal Perovskites La1-xSrxMnO3+/-δfor Solid Oxide Fuel Cell Cathodes Applications

NASA Astrophysics Data System (ADS)

Lee, Yueh-Lin; Duan, Yuhua; Morgan, Dane; Sorescu, Dan; Abernathy, Harry

Cation diffusion in La1-xSrxMnO3+/-δ (LSM) and in related perovskite materials play an important role in controlling long term performance and stability of solid oxide fuel cell (SOFCs) cathodes. Due to sluggish rates of cation diffusion and complex coupling between defect chemistry and cation diffusion pathways, currently there is still lack of quantitative theoretical model predictions on cation diffusivity vs. T and P(O2) to describe experimental cation tracer diffusivities. In this work, based on ab initio modeling of LSM defect chemistry and migration barriers of the possible cation diffusion pathways, we assess the rates of A-site and B-site cation diffusion in a wide range of T and P(O2) at x =0.0 and 0.2 for SOFC applications. We demonstrate the active cation diffusion pathways in LSM involve cation defect clusters as cation transport carriers, where reduction in the cation migration barriers, which are governed by the steric effect associated with the metal-oxygen cage in the perovskite lattice, is much greater than the penalty of repulsive interaction in the A-site and B-site cation vacancy clusters, leading to higher cation diffusion rates as compared to those of single cation vacancy hopping mechanisms. The predicted Mn and La/Sr cation self-diffusion coefficients of LSM at at x =0.0 and 0.2 along with their 1/T and P(O2) dependences, are in good agreement with the experimental tracer diffusion coefficients.

Organic-Inorganic Hybrid Interfacial Layer for High-Performance Planar Perovskite Solar Cells.

PubMed

Yang, Hao; Cong, Shan; Lou, Yanhui; Han, Liang; Zhao, Jie; Sun, Yinghui; Zou, Guifu

2017-09-20

4,7-Diphenyl-1,10-phenanthroline (Bphen) is an efficient electron transport and hole blocking material in organic photoelectric devices. Here, we report cesium carbonate (Cs 2 CO 3 ) doped Bphen as cathode interfacial layer in CH 3 NH 3 PbI 3-x Cl x based planar perovskite solar cells (PSCs). Investigation finds that introducing Cs 2 CO 3 suppresses the crystallization of Bphen and benefits a smooth interface contact between the perovskite and electrode, resulting in the decrease in carrier recombination and the perovskite degradation. In addition, the matching energy level of Bphen film in the PSCs effectively blocks the holes diffusion to cathode. The resultant power conversion efficiency (PCE) achieves as high as 17.03% in comparison with 12.67% of reference device without doping. Besides, experiments also demonstrate the stability of PSCs have large improvement because the suppressed crystallization of Bphen by doping Cs 2 CO 3 as a superior barrier layer blocks the Ag atom and surrounding moisture access to the vulnerable perovskite layer.

Specific binding of Clostridium perfringens enterotoxin fragment to Claudin-b and modulation of zebrafish epidermal barrier.

PubMed

Zhang, Jingjing; Ni, Chen; Yang, Zhenguo; Piontek, Anna; Chen, Huapu; Wang, Sijie; Fan, Yiming; Qin, Zhihai; Piontek, Joerg

2015-08-01

Claudins (Cldn) are the major components of tight junctions (TJs) sealing the paracellular cleft in tissue barriers of various organs. Zebrafish Cldnb, the homolog of mammalian Cldn4, is expressed at epithelial cell-cell contacts and is important for regulating epidermal permeability. The bacterial toxin Clostridium perfringens enterotoxin (CPE) has been shown to bind to a subset of mammalian Cldns. In this study, we used the Cldn-binding C-terminal domain of CPE (194-319 amino acids, cCPE 194-319 ) to investigate its functional role in modulating zebrafish larval epidermal barriers. In vitro analyses show that cCPE 194-319 removed Cldn4 from epithelial cells and disrupted the monolayer tightness, which could be rescued by the removal of cCPE 194-319. Incubation of zebrafish larvae with cCPE 194-319 removed Cldnb specifically from the epidermal cell membrane. Dye diffusion analysis with 4-kDa fluorescent dextran indicated that the permeability of the epidermal barrier increased due to cCPE 194-319 incubation. Electron microscopic investigation revealed reversible loss of TJ integrity by Cldnb removal. Collectively, these results suggest that cCPE 194-319 could be used as a Cldnb modulator to transiently open the epidermal barrier in zebrafish. In addition, zebrafish might be used as an in vivo system to investigate the capability of cCPE to enhance drug delivery across tissue barriers. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Material Barriers to Diffusive Mixing

NASA Astrophysics Data System (ADS)

Haller, George; Karrasch, Daniel

2017-11-01

Transport barriers, as zero-flux surfaces, are ill-defined in purely advective mixing in which the flux of any passive scalar is zero through all material surfaces. For this reason, Lagrangian Coherent Structures (LCSs) have been argued to play the role of mixing barriers as most repelling, attracting or shearing material lines. These three kinematic concepts, however, can also be defined in different ways, both within rigorous mathematical treatments and within the realm of heuristic diagnostics. This has lead to a an ever-growing number of different LCS methods, each generally identifying different objects as transport barriers. In this talk, we examine which of these methods have actual relevance for diffusive transport barriers. The latter barriers are arguably the practically relevant inhibitors in the mixing of physically relevant tracers, such as temperature, salinity, vorticity or potential vorticity. We demonstrate the role of the most effective diffusion barriers in analytical examples and observational data. Supported in part by the DFG Priority Program on Turbulent Superstructures.

Oxidation Resistant Ti-Al-Fe Diffusion Barrier for FeCrAlY Coatings on Titanium Aluminides

NASA Technical Reports Server (NTRS)

Brady, Michael P. (Inventor); Smialke, James L. (Inventor); Brindley, William J. (Inventor)

1996-01-01

A diffusion barrier to help protect titanium aluminide alloys, including the coated alloys of the TiAl gamma + Ti3Al (alpha2) class, from oxidative attack and interstitial embrittlement at temperatures up to at least 1000 C is disclosed. The coating may comprise FeCrAlX alloys. The diffusion barrier comprises titanium, aluminum, and iron in the following approximate atomic percent: Ti-(50-55)Al-(9-20)Fe. This alloy is also suitable as an oxidative or structural coating for such substrates.

Rotation and diffusion of naphthalene on Pt(111)

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

Identifying barriers to and facilitators of tuberculosis contact investigation in Kampala, Uganda: a behavioral approach.

PubMed

Ayakaka, Irene; Ackerman, Sara; Ggita, Joseph M; Kajubi, Phoebe; Dowdy, David; Haberer, Jessica E; Fair, Elizabeth; Hopewell, Philip; Handley, Margaret A; Cattamanchi, Adithya; Katamba, Achilles; Davis, J Lucian

2017-03-09

The World Health Organization recommends routine household tuberculosis contact investigation in high-burden countries but adoption has been limited. We sought to identify barriers to and facilitators of TB contact investigation during its introduction in Kampala, Uganda. We collected cross-sectional qualitative data through focus group discussions and interviews with stakeholders, addressing three core activities of contact investigation: arranging household screening visits through index TB patients, visiting households to screen contacts and refer them to clinics, and evaluating at-risk contacts coming to clinics. We analyzed the data using a validated theory of behavior change, the Capability, Opportunity, and Motivation determine Behavior (COM-B) model, and sought to identify targeted interventions using the related Behavior Change Wheel implementation framework. We led seven focus-group discussions with 61 health-care workers, two with 21 lay health workers (LHWs), and one with four household contacts of newly diagnosed TB patients. We, in addition, performed 32 interviews with household contacts from 14 households of newly diagnosed TB patients. Commonly noted barriers included stigma, limited knowledge about TB among contacts, insufficient time and space in clinics for counselling, mistrust of health-center staff among index patients and contacts, and high travel costs for LHWs and contacts. The most important facilitators identified were the personalized and enabling services provided by LHWs. We identified education, persuasion, enablement, modeling of health-positive behaviors, incentivization, and restructuring of the service environment as relevant intervention functions with potential to alleviate barriers to and enhance facilitators of TB contact investigation. The use of a behavioral theory and a validated implementation framework provided a comprehensive approach for systematically identifying barriers to and facilitators of TB contact investigation. The behavioral determinants identified here may be useful in tailoring interventions to improve implementation of contact investigation in Kampala and other similar urban settings.

Morphological respiratory diffusion capacity of the lungs of ball pythons (Python regius).

PubMed

Starck, J Matthias; Aupperle, Heike; Kiefer, Ingmar; Weimer, Isabel; Krautwald-Junghanns, Maria-Elisabeth; Pees, Michael

2012-08-01

This study aims at a functional and morphological characterization of the lung of a boid snake. In particular, we were interested to see if the python's lungs are designed with excess capacity as compared to resting and working oxygen demands. Therefore, the morphological respiratory diffusion capacity of ball pythons (Python regius) was examined following a stereological, hierarchically nested approach. The volume of the respiratory exchange tissue was determined using computed tomography. Tissue compartments were quantified using stereological methods on light microscopic images. The tissue diffusion barrier for oxygen transport was characterized and measured using transmission electron micrographs. We found a significant negative correlation between body mass and the volume of respiratory tissue; the lungs of larger snakes had relatively less respiratory tissue. Therefore, mass-specific respiratory tissue was calculated to exclude effects of body mass. The volume of the lung that contains parenchyma was 11.9±5.0mm(3)g(-1). The volume fraction, i.e., the actual pulmonary exchange tissue per lung parenchyma, was 63.22±7.3%; the total respiratory surface was, on average, 0.214±0.129m(2); it was significantly negatively correlated to body mass, with larger snakes having proportionally smaller respiratory surfaces. For the air-blood barrier, a harmonic mean of 0.78±0.05μm was found, with the epithelial layer representing the thickest part of the barrier. Based on these findings, a median diffusion capacity of the tissue barrier ( [Formula: see text] ) of 0.69±0.38ml O(2)min(-1)mmHg(-1) was calculated. Based on published values for blood oxygen concentration, a total oxygen uptake capacity of 61.16mlO(2)min(-1)kg(-1) can be assumed. This value exceeds the maximum demand for oxygen in ball pythons by a factor of 12. We conclude that healthy individuals of P. regius possess a considerable spare capacity for tissue oxygen exchange. Copyright © 2012 Elsevier GmbH. All rights reserved.

Fiber-based modulated optical reflectance configuration allowing for offset pump and probe beams

NASA Astrophysics Data System (ADS)

Fleming, A.; Folsom, C.; Jensen, C.; Ban, H.

2016-12-01

A new fiber-based modulated optical reflectance configuration is developed in this work. The technique maintains the fiber-based heating laser (pump) and detection laser (probe) in close proximity at a fixed separation distance in a ceramic ferrule. The pump beam periodically heats the sample inducing thermal waves into the sample. The probe beam measures the temperature response at a known distance from the pump beam over a range of heating modulation frequencies. The thermal diffusivity of the sample may be calculated from the phase response between the input heat flux and the temperature response of a sample having a reflective surface. The unique measurement configuration is ideal for in situ measurements and has many advantages for laboratory-based systems. The design and development of the system are reported along with theoretical justification for the experimental design. The thermal diffusivities of Ge and SiC are measured and found to be within 10% of reported literature values. The diffusivity for SiO2 is measured with a relative difference of approximately 100% from the literature value when the ferrule is in contact with the sample. An additional measurement was made on the SiO2 sample with the ferrule not in contact resulting in a difference of less than 2% from the literature value. The difference in the SiO2 measurement when the ferrule is in contact with the sample is likely due to a parallel heat transfer path through the dual-fiber ferrule assembly.

Fiber-based modulated optical reflectance configuration allowing for offset pump and probe beams.

PubMed

Fleming, A; Folsom, C; Jensen, C; Ban, H

2016-12-01

A new fiber-based modulated optical reflectance configuration is developed in this work. The technique maintains the fiber-based heating laser (pump) and detection laser (probe) in close proximity at a fixed separation distance in a ceramic ferrule. The pump beam periodically heats the sample inducing thermal waves into the sample. The probe beam measures the temperature response at a known distance from the pump beam over a range of heating modulation frequencies. The thermal diffusivity of the sample may be calculated from the phase response between the input heat flux and the temperature response of a sample having a reflective surface. The unique measurement configuration is ideal for in situ measurements and has many advantages for laboratory-based systems. The design and development of the system are reported along with theoretical justification for the experimental design. The thermal diffusivities of Ge and SiC are measured and found to be within 10% of reported literature values. The diffusivity for SiO 2 is measured with a relative difference of approximately 100% from the literature value when the ferrule is in contact with the sample. An additional measurement was made on the SiO 2 sample with the ferrule not in contact resulting in a difference of less than 2% from the literature value. The difference in the SiO 2 measurement when the ferrule is in contact with the sample is likely due to a parallel heat transfer path through the dual-fiber ferrule assembly.

Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations

DOE PAGES

Zhang, Lipeng; Liu, Bin; Zhuang, Houlong; ...

2016-04-01

Point defects and point defect diffusion contribute significantly to the properties of perovskite materials. However, even for the prototypical case of oxygen vacancies in SrTiO 3 (STO), predictions vary widely. Here we present a comprehensive and systematic study of the diffusion barriers for this material. We use density functional theory (DFT) and assess the role of different cell sizes, density functionals, and charge states. Our results show that vacancy-induced octahedral rotations, which are limited by the boundary conditions of the supercell, can significantly affect the computed oxygen vacancy diffusion energy barrier. The diffusion energy barrier of a charged oxygen vacancymore » is lower than that of a neutral one. Unexpectedly, we find that with increasing supercell size, the effects of the oxygen vacancy charge state, the type of DFT exchange and correlation functional on the energy barrier diminish, and the different DFT predictions asymptote to a value in the range of 0.39-0.49 eV. This work provides important insight and guidance that should be considered for investigations of point defect diffusion in other perovskite materials and in oxide superlattices.« less

Metamaterial devices for molding the flow of diffuse light (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wegener, Martin

2016-09-01

Much of optics in the ballistic regime is about designing devices to mold the flow of light. This task is accomplished via specific spatial distributions of the refractive index or the refractive-index tensor. For light propagating in turbid media, a corresponding design approach has not been applied previously. Here, we review our corresponding recent work in which we design spatial distributions of the light diffusivity or the light-diffusivity tensor to accomplish specific tasks. As an application, we realize cloaking of metal contacts on large-area OLEDs, eliminating the contacts' shadows, thereby homogenizing the diffuse light emission. In more detail, metal contacts on large-area organic light-emitting diodes (OLEDs) are mandatory electrically, but they cast optical shadows, leading to unwanted spatially inhomogeneous diffuse light emission. We show that the contacts can be made invisible either by (i) laminate metamaterials designed by coordinate transformations of the diffusion equation or by (ii) triangular-shaped regions with piecewise constant diffusivity, hence constant concentration of scattering centers. These structures are post-optimized in regard to light throughput by Monte-Carlo ray-tracing simulations and successfully validated by model experiments.

Schottky Barrier Height of Pd/MoS2 Contact by Large Area Photoemission Spectroscopy.

PubMed

Dong, Hong; Gong, Cheng; Addou, Rafik; McDonnell, Stephen; Azcatl, Angelica; Qin, Xiaoye; Wang, Weichao; Wang, Weihua; Hinkle, Christopher L; Wallace, Robert M

2017-11-08

MoS 2 , as a model transition metal dichalcogenide, is viewed as a potential channel material in future nanoelectronic and optoelectronic devices. Minimizing the contact resistance of the metal/MoS 2 junction is critical to realizing the potential of MoS 2 -based devices. In this work, the Schottky barrier height (SBH) and the band structure of high work function Pd metal on MoS 2 have been studied by in situ X-ray photoelectron spectroscopy (XPS). The analytical spot diameter of the XPS spectrometer is about 400 μm, and the XPS signal is proportional to the detection area, so the influence of defect-mediated parallel conduction paths on the SBH does not affect the measurement. The charge redistribution by Pd on MoS 2 is detected by XPS characterization, which gives insight into metal contact physics to MoS 2 and suggests that interface engineering is necessary to lower the contact resistance for the future generation electronic applications.

Cattle-derived microbial input to source water catchments: An experimental assessment of stream crossing modification.

PubMed

Smolders, Andrew; Rolls, Robert J; Ryder, Darren; Watkinson, Andrew; Mackenzie, Mark

2015-06-01

The provision of safe drinking water is a global issue, and animal production is recognized as a significant potential origin of human infectious pathogenic microorganisms within source water catchments. On-farm management can be used to mitigate livestock-derived microbial pollution in source water catchments to reduce the risk of contamination to potable water supplies. We applied a modified Before-After Control Impact (BACI) design to test if restricting the access of livestock to direct contact with streams prevented longitudinal increases in the concentrations of faecal indicator bacteria and suspended solids. Significant longitudinal increases in pollutant concentrations were detected between upstream and downstream reaches of the control crossing, whereas such increases were not detected at the treatment crossing. Therefore, while the crossing upgrade was effective in preventing cattle-derived point source pollution by between 112 and 158%, diffuse source pollution to water supplies from livestock is not ameliorated by this intervention alone. Our findings indicate that stream crossings that prevent direct contact between livestock and waterways provide a simple method for reducing pollutant loads in source water catchments, which ultimately minimises the likelihood of pathogenic microorganisms passing through source water catchments and the drinking water supply system. The efficacy of the catchment as a primary barrier to pathogenic risks to drinking water supplies would be improved with the integration of management interventions that minimise direct contact between livestock and waterways, combined with the mitigation of diffuse sources of livestock-derived faecal matter from farmland runoff to the aquatic environment. Copyright © 2015 Elsevier Ltd. All rights reserved.

Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes.

PubMed

Ghysels, An; Venable, Richard M; Pastor, Richard W; Hummer, Gerhard

2017-06-13

A Bayesian-based methodology is developed to estimate diffusion tensors from molecular dynamics simulations of permeants in anisotropic media, and is applied to oxygen in lipid bilayers. By a separation of variables in the Smoluchowski diffusion equation, the multidimensional diffusion is reduced to coupled one-dimensional diffusion problems that are treated by discretization. The resulting diffusivity profiles characterize the membrane transport dynamics as a function of the position across the membrane, discriminating between diffusion normal and parallel to the membrane. The methodology is first validated with neat water, neat hexadecane, and a hexadecane slab surrounded by water, the latter being a simple model for a lipid membrane. Next, a bilayer consisting of pure 1-palmitoyl 2-oleoylphosphatidylcholine (POPC), and a bilayer mimicking the lipid composition of the inner mitochondrial membrane, including cardiolipin, are investigated. We analyze the detailed time evolution of oxygen molecules, in terms of both normal diffusion through and radial diffusion inside the membrane. Diffusion is fast in the more loosely packed interleaflet region, and anisotropic, with oxygen spreading more rapidly in the membrane plane than normal to it. Visualization of the propagator shows that oxygen enters the membrane rapidly, reaching its thermodynamically favored center in about 1 ns, despite the free energy barrier at the headgroup region. Oxygen transport is quantified by computing the oxygen permeability of the membranes and the average radial diffusivity, which confirm the anisotropy of the diffusion. The position-dependent diffusion constants and free energies are used to construct compartmental models and test assumptions used in estimating permeability, including Overton's rule. In particular, a hexadecane slab surrounded by water is found to be a poor model of oxygen transport in membranes because the relevant energy barriers differ substantially.

Incontinence Treatment: Medication

MedlinePlus

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Symptoms of Incontinence

MedlinePlus

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Dexamethasone diffusion across contact lenses is inhibited by Staphylococcus epidermidis biofilms in vitro.

PubMed

Brothers, Kimberly M; Nau, Amy C; Romanowski, Eric G; Shanks, Robert M Q

2014-10-01

This study was designed to measure the impact of bacterial biofilms on diffusion of an ocular therapeutic through silicone hydrogel bandage lenses in vitro. An assay was designed to study the passage of a commonly used steroid, dexamethasone, through silicone hydrogel soft contact lenses. Diffused dexamethasone was measured using a spectrophotometer over a period of 18 hours and quantified using a standard curve. This assay was performed with control and Staphylococcus epidermidis biofilm-coated contact lenses comprised of lotrafilcon A and methafilcon. Biofilms were formed in brain heart infusion broth supplemented with D-glucose. The presented data validate a simple in vitro model that can be used to measure the penetration of a topical therapeutic through silicone hydrogel soft contact lenses. Using this model, we measured a reduction in dexamethasone diffusion up to 88% through S. epidermidis biofilm-coated silicone hydrogel lenses compared with control lenses. The results of this in vitro study demonstrate that bacterial biofilms impede dexamethasone diffusion through silicone hydrogel contact lenses and warrant future studies regarding the clinical benefit of using ocular therapeutics in the setting of bandage contact lens use for corneal epithelial defects.

Dexamethasone diffusion across contact lenses is inhibited by Staphylococcus epidermidis biofilms in vitro

PubMed Central

Brothers, Kimberly M.; Nau, Amy C.; Romanowski, Eric G.; Shanks, Robert M. Q.

2014-01-01

Purpose This study was designed to measure the impact of bacterial biofilms on diffusion of an ocular therapeutic through silicone hydrogel bandage lenses in vitro. Methods An assay was designed to study the passage of a commonly used steroid dexamethasone through the silicone hydrogel soft contact lenses. Diffused dexamethasone was measured using a spectrophotometer over a period of 18 hours and quantified using a standard curve. This assay was performed with control and Staphylococcus epidermidis biofilm-coated contact lenses composed of lotrafilcon A and methafilcon. Biofilms were formed in brain heart infusion broth supplemented with D-glucose. Results The presented data validate a simple in vitro model that can be used to measure penetration of a topical therapeutic through silicone hydrogel soft contact lenses. Using this model we measured a reduction of dexamethasone diffusion by up to 88% through S. epidermidis biofilm-coated silicon hydrogel lenses compared to control lenses. Conclusions The results of this in vitro study demonstrate that bacterial biofilms impede dexamethasone diffusion through silicon hydrogel contact lenses, and warrant future studies regarding the clinical benefit of using ocular therapeutics in the setting of bandage contact lens use for corneal epithelial defects. PMID:25090165

Spin Transfer Torque in Graphene

NASA Astrophysics Data System (ADS)

Lin, Chia-Ching; Chen, Zhihong

2014-03-01

Graphene is an idea channel material for spin transport due to its long spin diffusion length. To develop graphene based spin logic, it is important to demonstrate spin transfer torque in graphene. Here, we report the experimental measurement of spin transfer torque in graphene nonlocal spin valve devices. Assisted by a small external in-plane magnetic field, the magnetization reversal of the receiving magnet is induced by pure spin diffusion currents from the injector magnet. The magnetization switching is reversible between parallel and antiparallel configurations by controlling the polarity of the applied charged currents. Current induced heating and Oersted field from the nonlocal charge flow have also been excluded in this study. Next, we further enhance the spin angular momentum absorption at the interface of the receiving magnet and graphene channel by removing the tunneling barrier in the receiving magnet. The device with a tunneling barrier only at the injector magnet shows a comparable nonlocal spin valve signal but lower electrical noise. Moreover, in the same preset condition, the critical charge current density for spin torque in the single tunneling barrier device shows a substantial reduction if compared to the double tunneling barrier device.

Ion-barrier for memristors/ReRAM and methods thereof

DOEpatents

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.

Plasma membrane organization promotes virulence of the human fungal pathogen Candida albicans

PubMed Central

Douglas, Lois M.; Konopka, James. B.

2017-01-01

Candida albicans is a human fungal pathogen capable of causing lethal systemic infections. The plasma membrane plays key roles in virulence because it not only functions as a protective barrier, it also mediates dynamic functions including secretion of virulence factors, cell wall synthesis, invasive hyphal morphogenesis, endocytosis, and nutrient uptake. Consistent with this functional complexity, the plasma membrane is composed of a wide array of lipids and proteins. These components are organized into distinct domains that will be the topic of this review. Some of the plasma membrane domains that will be described are known to act as scaffolds or barriers to diffusion, such as MCC/eisosomes, septins, and sites of contact with the endoplasmic reticulum. Other zones mediate dynamic processes, including secretion, endocytosis, and a special region at hyphal tips that facilitates rapid growth. The highly organized architecture of the plasma membrane facilitates the coordination of diverse functions and promotes the pathogenesis of C. albicans. PMID:26920878

Plasma membrane organization promotes virulence of the human fungal pathogen Candida albicans.

PubMed

Douglas, Lois M; Konopka, James B

2016-03-01

Candida albicans is a human fungal pathogen capable of causing lethal systemic infections. The plasma membrane plays key roles in virulence because it not only functions as a protective barrier, it also mediates dynamic functions including secretion of virulence factors, cell wall synthesis, invasive hyphal morphogenesis, endocytosis, and nutrient uptake. Consistent with this functional complexity, the plasma membrane is composed of a wide array of lipids and proteins. These components are organized into distinct domains that will be the topic of this review. Some of the plasma membrane domains that will be described are known to act as scaffolds or barriers to diffusion, such as MCC/eisosomes, septins, and sites of contact with the endoplasmic reticulum. Other zones mediate dynamic processes, including secretion, endocytosis, and a special region at hyphal tips that facilitates rapid growth. The highly organized architecture of the plasma membrane facilitates the coordination of diverse functions and promotes the pathogenesis of C. albicans.

Incontinence Treatment: Dietary Tips

MedlinePlus

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Incontinence Treatment: Surgical Treatments

MedlinePlus

... Incontinence Managing Incontinence: A Survey The Patient's Perspective Barriers on Diagnosis and Treatment Personal Stories Contact Us ... Incontinence Managing Incontinence: A Survey The Patient's Perspective Barriers on Diagnosis and Treatment Personal Stories Contact Us ...

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Technical Reports Server (NTRS)

Good, Brian S.

2015-01-01

Silicon-based ceramic components for next-generation jet turbine engines offer potential weight savings, as well as higher operating temperatures, both of which lead to increased efficiency and lower fuel costs. Silicon carbide (SiC), in particular, offers low density, good strength at high temperatures, and good oxidation resistance in dry air. However, reaction of SiC with high-temperature water vapor, as found in the hot section of jet turbine engines in operation, can cause rapid surface recession, which limits the lifetime of such components. Environmental Barrier Coatings (EBCs) are therefore needed if long component lifetime is to be achieved. Rare earth silicates such as Yb2Si2O7 and Yb2SiO5 have been proposed for such applications; in an effort to better understand diffusion in such materials, we have performed kinetic Monte Carlo (kMC) simulations of oxygen diffusion in Ytterbium disilicate, Yb2- Si2O7. The diffusive process is assumed to take place via the thermally activated hopping of oxygen atoms among oxygen vacancy sites or among interstitial sites. Migration barrier energies are computed using density functional theory (DFT).

Adapting an evidence-based intervention for homeless women: engaging the community in shared decision-making.

PubMed

Cederbaum, Julie A; Song, Ahyoung; Hsu, Hsun-Ta; Tucker, Joan S; Wenzel, Suzanne L

2014-11-01

As interest grows in the diffusion of evidence-based interventions (EBIs), there is increasing concern about how to mitigate implementation challenges; this paper concerns adapting an EBI for homeless women. Complementing earlier focus groups with homeless women, homeless service providers (n = 32) were engaged in focus groups to assess capacity, needs, and barriers with implementation of EBIs. Deductive analyses of data led to the selection of four EBIs. Six consensus groups were then undertaken; three each with homeless women (n = 24) and homeless service providers (n = 21). The selected EBI was adapted and pretested with homeless women (n = 9) and service providers (n = 6). The structured consensus group process provided great utility and affirmed the expertise of homeless women and service providers as experts in their domain. Engaging providers in the selection process reduced the structural barriers within agencies as obstacles to diffusion.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Jiang, Xiujuan; Vemuri, Rama S.

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 tomore » 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.« less

On electrode pinning and charge blocking layers in organic solar cells

NASA Astrophysics Data System (ADS)

Magen, Osnat; Tessler, Nir

2017-05-01

We use device modelling for studying the losses introduced by metallic electrodes in organic solar cells' device structure. We first discuss the inclusion of pinning at the integer charge transfer state in device models, with and without using the image charge potential. In the presence of disorder, the space charge introduced due to the image potential enhances the pinning by more than 0.2 eV. The explicit introduction of the image potential creates band-gap narrowing at the contact, thus affecting both dark leakage current and photo conversion efficiency. We find that there are two regimes in which the contacts may limit the performance. For low (moderate) barriers, the contacts introduce minority carrier recombination at the contacts that adds to the bulk recombination channels. Only for high barriers, the contacts directly limit the open circuit voltage and impose a value that is equal to the contact's energy difference. Examining the device structures with blocking layers, we find that these are mainly useful for the low to moderate contacts' barriers and that for the high barrier case, the enhancement of open circuit voltage may be accompanied by the introduction of serial resistance or S shape.

Structural and water diffusion of poly(acryl amide)/poly(vinyl alcohol) blend films: Experiment and molecular dynamics simulations.

PubMed

Wang, Yanen; Wei, Qinghua; Wang, Shuzhi; Chai, Weihong; Zhang, Yingfeng

2017-01-01

To study the effects of composition ratios and temperature on the diffusion of water molecules in PVA/PAM blend films, five simulation models of PVA/PAM with ten water molecules at different composition ratios (4/0, 3/1, 2/2, 1/3, 0/4) were constructed and simulated by using a molecular dynamics (MD) simulation. The diffusion behavior of water molecules in blends were investigated from the aspects of the diffusion coefficient, free volume, pair correlation function (PCF) and trajectories of water molecules, respectively. And the hydrophilicity of blend composite was studied based on the contact angle and equilibrium water content (EWC) of the blend films. The simulation results show that the diffusion coefficient of water molecules and fractional free volume (FFV) of blend membranes increase with the addition of PAM, and a higher temperature can also improve the diffusion of water molecules. Additionally, the analysis of PCFs reveals the main reason why the diffusion coefficient of water in blend system increases with the addition of PAM. The measurement results of contact angle and EWC of blend films indicate that the hydrophilicity of blend films decreases with the addition of PAM, but the EWC of blends increases with the addition of PAM. Copyright © 2016 Elsevier Inc. All rights reserved.

Visiting Mom: A pilot evaluation of a prison-based visiting program serving incarcerated mothers and their minor children

PubMed Central

Schubert, Erin C.; Duininck, Megan; Shlafer, Rebecca J.

2016-01-01

We describe an evaluation of a prison visiting program, Extended Visiting (EV), for incarcerated mothers and their children. Mothers (N = 24) and caregivers (N = 19) were interviewed regarding experiences with the program. Mothers identified benefits including maintaining a relationship with children, physical contact, motivation, privacy, peer support, and personal growth. Caregivers echoed mothers’ appreciation for the opportunity to maintain mother-child relationships and physical contact. Mothers identified barriers including desire for overnight visits and more age-appropriate activities. Caregivers perceived travel time and costs and children’s adverse reactions as barriers. When comparing EV to typical visiting, participants unanimously preferred EV. PMID:27867281

Ultra-high gain diffusion-driven organic transistor

PubMed Central

Torricelli, Fabrizio; Colalongo, Luigi; Raiteri, Daniele; Kovács-Vajna, Zsolt Miklós; Cantatore, Eugenio

2016-01-01

Emerging large-area technologies based on organic transistors are enabling the fabrication of low-cost flexible circuits, smart sensors and biomedical devices. High-gain transistors are essential for the development of large-scale circuit integration, high-sensitivity sensors and signal amplification in sensing systems. Unfortunately, organic field-effect transistors show limited gain, usually of the order of tens, because of the large contact resistance and channel-length modulation. Here we show a new organic field-effect transistor architecture with a gain larger than 700. This is the highest gain ever reported for organic field-effect transistors. In the proposed organic field-effect transistor, the charge injection and extraction at the metal–semiconductor contacts are driven by the charge diffusion. The ideal conditions of ohmic contacts with negligible contact resistance and flat current saturation are demonstrated. The approach is general and can be extended to any thin-film technology opening unprecedented opportunities for the development of high-performance flexible electronics. PMID:26829567

Investigation of heavy-ion fusion with deformed surface diffuseness: Actinide and lanthanide targets

NASA Astrophysics Data System (ADS)

Alavi, S. A.; Dehghani, V.

2017-05-01

By using a deformed Broglia-Winther nuclear interaction potential in the framework of the WKB method, the near- and above-barrier heavy-ion-fusion cross sections of 16O with some lanthanides and actinides have been calculated. The effect of deformed surface diffuseness on the nuclear interaction potential, the effective interaction potential at distinct angle, barrier position, barrier height, cross section at each angles, and fusion cross sections of 16O+147Sm,150Nd,154Sm , and 166Er and 16O+232Th,238U,237Np , and 248Cm have been studied. The differences between the results obtained by using deformed surface diffuseness and those obtained by using constant surface diffuseness were noticeable. Good agreement between experimental data and theoretical calculation with deformed surface diffuseness were observed for 16O+147Sm,154Sm,166Er,238U,237Np , and 248Cm reactions. It has been observed that deformed surface diffuseness plays a significant role in heavy-ion-fusion studies.

An integrated field-effect microdevice for monitoring membrane transport in Xenopus laevis oocytes via lateral proton diffusion.

PubMed

Schaffhauser, Daniel Felix; Patti, Monica; Goda, Tatsuro; Miyahara, Yuji; Forster, Ian Cameron; Dittrich, Petra Stephanie

2012-01-01

An integrated microdevice for measuring proton-dependent membrane activity at the surface of Xenopus laevis oocytes is presented. By establishing a stable contact between the oocyte vitelline membrane and an ion-sensitive field-effect (ISFET) sensor inside a microperfusion channel, changes in surface pH that are hypothesized to result from facilitated proton lateral diffusion along the membrane were detected. The solute diffusion barrier created between the sensor and the active membrane area allowed detection of surface proton concentration free from interference of solutes in bulk solution. The proposed sensor mechanism was verified by heterologously expressing membrane transport proteins and recording changes in surface pH during application of the specific substrates. Experiments conducted on two families of phosphate-sodium cotransporters (SLC20 & SLC34) demonstrated that it is possible to detect phosphate transport for both electrogenic and electroneutral isoforms and distinguish between transport of different phosphate species. Furthermore, the transport activity of the proton/amino acid cotransporter PAT1 assayed using conventional whole cell electrophysiology correlated well with changes in surface pH, confirming the ability of the system to detect activity proportional to expression level.

Provider-related barriers to rapid HIV testing in U.S. urban non-profit community clinics, community-based organizations (CBOs) and hospitals.

PubMed

Bogart, Laura M; Howerton, Devery; Lange, James; Setodji, Claude Messan; Becker, Kirsten; Klein, David J; Asch, Steven M

2010-06-01

We examined provider-reported barriers to rapid HIV testing in U.S. urban non-profit community clinics, community-based organizations (CBOs), and hospitals. 12 primary metropolitan statistical areas (PMSAs; three per region) were sampled randomly, with sampling weights proportional to AIDS case reports. Across PMSAs, all 671 hospitals and a random sample of 738 clinics/CBOs were telephoned for a survey on rapid HIV test availability. Of the 671 hospitals, 172 hospitals were randomly selected for barriers questions, for which 158 laboratory and 136 department staff were eligible and interviewed in 2005. Of the 738 clinics/CBOs, 276 were randomly selected for barriers questions, 206 were reached, and 118 were eligible and interviewed in 2005-2006. In multivariate models, barriers regarding translation of administrative/quality assurance policies into practice were significantly associated with rapid HIV testing availability. For greater rapid testing diffusion, policies are needed to reduce administrative barriers and provide quality assurance training to non-laboratory staff.

Planar varactor frequency multiplier devices with blocking barrier

NASA Technical Reports Server (NTRS)

Lieneweg, Udo (Inventor); Frerking, Margaret A. (Inventor); Maserjian, Joseph (Inventor)

1994-01-01

The invention relates to planar varactor frequency multiplier devices with a heterojunction blocking barrier for near millimeter wave radiation of moderate power from a fundamental input wave. The space charge limitation of the submillimeter frequency multiplier devices of the BIN(sup +) type is overcome by a diode structure comprising an n(sup +) doped layer of semiconductor material functioning as a low resistance back contact, a layer of semiconductor material with n-type doping functioning as a drift region grown on the back contact layer, a delta doping sheet forming a positive charge at the interface of the drift region layer with a barrier layer, and a surface metal contact. The layers thus formed on an n(sup +) doped layer may be divided into two isolated back-to-back BNN(sup +) diodes by separately depositing two surface metal contacts. By repeating the sequence of the drift region layer and the barrier layer with the delta doping sheet at the interfaces between the drift and barrier layers, a plurality of stacked diodes is formed. The novelty of the invention resides in providing n-type semiconductor material for the drift region in a GaAs/AlGaAs structure, and in stacking a plurality of such BNN(sup +) diodes stacked for greater output power with and connected back-to-back with the n(sup +) GaAs layer as an internal back contact and separate metal contact over an AlGaAs barrier layer on top of each stack.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Yujie; Gong, Sha; Wang, Zhen

The thermodynamic and kinetic parameters of an RNA base pair were obtained through a long-time molecular dynamics simulation of the opening-closing switch process of the base pair near its melting temperature. The thermodynamic parameters were in good agreement with the nearest-neighbor model. The opening rates showed strong temperature dependence, however, the closing rates showed only weak temperature dependence. The transition path time was weakly temperature dependent and was insensitive to the energy barrier. The diffusion constant exhibited super-Arrhenius behavior. The free energy barrier of breaking a single base stack results from the enthalpy increase, ΔH, caused by the disruption ofmore » hydrogen bonding and base-stacking interactions. The free energy barrier of base pair closing comes from the unfavorable entropy loss, ΔS, caused by the restriction of torsional angles. These results suggest that a one-dimensional free energy surface is sufficient to accurately describe the dynamics of base pair opening and closing, and the dynamics are Brownian.« less

In Situ Ramp Anneal X-ray Diffraction Study of Atomic Layer Deposited Ultrathin TaN and Ta 1-x Al x N y Films for Cu Diffusion Barrier Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Consiglio, S.; Dey, S.; Yu, K.

2016-01-01

Ultrathin TaN and Ta 1-xAl xN y films with x = 0.21 to 0.88 were deposited by atomic layer deposition (ALD) and evaluated for Cu diffusion barrier effectiveness compared to physical vapor deposition (PVD) grown TaN. Cu diffusion barrier effectiveness was investigated using in-situ ramp anneal synchrotron X-ray diffraction (XRD) on Cu/1.8 nm barrier/Si stacks. A Kissinger-like analysis was used to assess the kinetics of Cu 3Si formation and determine the effective activation energy (E a) for Cu silicidation. Compared to the stack with a PVD TaN barrier, the stacks with the ALD films exhibited a higher crystallization temperature (Tmore » c) for Cu silicidation. The Ea values of Cu 3Si formation for stacks with the ALD films were close to the reported value for grain boundary diffusion of Cu whereas the Ea of Cu 3Si formation for the stack with PVD TaN is closer to the reported value for lattice diffusion. For 3 nm films, grazing incidence in-plane XRD showed evidence of nanocrystallites in an amorphous matrix with broad peaks corresponding to high density cubic phase for the ALD grown films and lower density hexagonal phase for the PVD grown film further elucidating the difference in initial failure mechanisms due to differences in barrier crystallinity and associated phase.« less

Effect of barrier height on friction behavior of the semiconductors silicon and gallium arsenide in contact with pure metals

NASA Technical Reports Server (NTRS)

Mishina, H.; Buckley, D. H.

1984-01-01

Friction experiments were conducted for the semiconductors silicon and gallium arsenide in contact with pure metals. Polycrystalline titanium, tantalum, nickel, palladium, and platinum were made to contact a single crystal silicon (111) surface. Indium, nickel, copper, and silver were made to contact a single crystal gallium arsenide (100) surface. Sliding was conducted both in room air and in a vacuum of 10 to the minus 9th power torr. The friction of semiconductors in contact with metals depended on a Schottky barrier height formed at the metal semiconductor interface. Metals with a higher barrier height on semiconductors gave lower friction. The effect of the barrier height on friction behavior for argon sputtered cleaned surfaces in vacuum was more specific than that for the surfaces containing films in room air. With a silicon surface sliding on titanium, many silicon particles back transferred. In contrast, a large quantity of indium transferred to the gallium arsenide surface.

Boron Arsenide and Boron Phosphide for High Temperature and Luminescent Devices. [semiconductor devices - crystal growth/crystal structure

NASA Technical Reports Server (NTRS)

Chu, T. L.

1975-01-01

The crystal growth of boron arsenide and boron phosphide in the form of bulk crystals and epitaxial layers on suitable substrates is discussed. The physical, chemical, and electrical properties of the crystals and epitaxial layers are examined. Bulk crystals of boron arsenide were prepared by the chemical transport technique, and their carrier concentration and Hall mobility were measured. The growth of boron arsenide crystals from high temperature solutions was attempted without success. Bulk crystals of boron phosphide were also prepared by chemical transport and solution growth techniques. Techniques required for the fabrication of boron phosphide devices such as junction shaping, diffusion, and contact formation were investigated. Alloying techniques were developed for the formation of low-resistance ohmic contacts to boron phosphide. Four types of boron phosphide devices were fabricated: (1) metal-insulator-boron phosphide structures, (2) Schottky barriers; (3) boron phosphide-silicon carbide heterojunctions; and (4) p-n homojunctions. Easily visible red electroluminescence was observed from both epitaxial and solution grown p-n junctions.

Fabrication of stable electrode/diffusion barrier layers for thermoelectric filled skutterudite devices

DOEpatents

Jie, Qing; Ren, Zhifeng; Chen, Gang

2015-12-08

Disclosed are methods for the manufacture of n-type and p-type filled skutterudite thermoelectric legs of an electrical contact. A first material of CoSi.sub.2 and a dopant are ball-milled to form a first powder which is thermo-mechanically processed with a second powder of n-type skutterudite to form a n-type skutterudite layer disposed between a first layer and a third layer of the doped-CoSi.sub.2. In addition, a plurality of components such as iron, and nickel, and at least one of cobalt or chromium are ball-milled form a first powder that is thermo-mechanically processed with a p-type skutterudite layer to form a p-type skutterudite layer "second layer" disposed between a first and a third layer of the first powder. The specific contact resistance between the first layer and the skutterudite layer for both the n-type and the p-type skutterudites subsequent to hot-pressing is less than about 10.0 .mu..OMEGA.cm.sup.2.

Fabrication of stable electrode/diffusion barrier layers for thermoelectric filled skutterudite devices

DOEpatents

Jie, Qing; Ren, Zhifeng; Chen, Gang

2017-08-01

Disclosed are methods for the manufacture of n-type and p-type filled skutterudite thermoelectric legs of an electrical contact. A first material of CoSi.sub.2 and a dopant are ball-milled to form a first powder which is thermo-mechanically processed with a second powder of n-type skutterudite to form a n-type skutterudite layer disposed between a first layer and a third layer of the doped-CoSi.sub.2. In addition, a plurality of components such as iron, and nickel, and at least one of cobalt or chromium are ball-milled form a first powder that is thermo-mechanically processed with a p-type skutterudite layer to form a p-type skutterudite layer "second layer" disposed between a first and a third layer of the first powder. The specific contact resistance between the first layer and the skutterudite layer for both the n-type and the p-type skutterudites subsequent to hot-pressing is less than about 10.0 .mu..OMEGA.cm.sup.2.

Asymmetric and speed-dependent contact angle hysteresis and relaxation of a suddenly stopped moving contact line

NASA Astrophysics Data System (ADS)

Guan, Dongshi; Wang, Yong Jian; Charlaix, Elisabeth; Tong, Penger

We report direct atomic-force-microscope measurements of capillary force hysteresis and relaxation of a circular moving contact line (CL) formed on a long micron-sized hydrophobic fiber intersecting a water-air interface. The measured capillary force hysteresis and CL relaxation show a strong asymmetric speed dependence in the advancing and receding directions. A unified model based on force-assisted barrier-crossing is utilized to find the underlying energy barrier Eb and size λ associated with the defects on the fiber surface. The experiment demonstrates that the pinning (relaxation) and depinning dynamics of the CL can be described by a common microscopic frame-work, and the advancing and receding CLs are influenced by two different sets of relatively wetting and non-wetting defects on the fiber surface. Work supported in part by the Research Grants Council of Hong Kong SAR.

Investigation of transparent zinc oxide-based contacts for high performance III-nitride light emitting diodes

NASA Astrophysics Data System (ADS)

Jung, Sungpyo

In this dissertation, we investigate Al-doped ZnO(AZO) contact structure to a variety of GaN LED structures. Our results show that ZnO is a potentially viable transparent contact for GaN-based LEDs. We began our investigation by depositing AZO and Ni/AZO contacts to p-GaN. However, these contacts are highly resistive. Next, we deposited thin Ni/Au layer, oxidized the Ni/Au layer to form a good ohmic contact to p-GaN, and then followed by the deposition of thick AZO layer. However, the electrical resistance of oxidized Ni/Au-AZO contacts is higher than that of the conventional Ni/Au contacts. We solve the high contact resistance problem by using a two-step thermal annealing process. In this method, Ni/Au layer is deposited first followed by the AZO layer without any annealing step. After finishing the device fabrication, the samples are annealed in air first to achieve low contact resistance with Ni/Au/AZO and p-GaN and then annealed in nitrogen to achieve low sheet resistance for the AZO layer. The improved electrical and optical characteristics of this scheme compared to conventional Ni/Au contact scheme are demonstrated on a variety of GaN LEDs: blue, green, small area, large area and bottom emitting LEDs. The benefits of ZnO-based contacts are more significant in large area LEDs that include lower forward voltage, and higher optical emission, better emission uniformity and reliability. The advantages of ZnO-based contact in terms of lower contact resistance and higher optical emission on LED fabricated on roughened GaN wafers are also demonstrated. For bottom emitting LED structure intended for flip chip applications, our original oxidized Ni/Au layer over coated with either Al or Ag contacts have shown to simultaneously yield superior I-V characteristics and greatly enhanced optical performance compared to conventional LEDs using a thick Ni/Au contact in the flip-chip configuration. However, the contact is unstable at operating temperatures > 100°C due to close proximity of Ag and Al with p-GaN. Here, the ZnO layer probably can be interdiffusion barrier layer of Al into GaN. We have demonstrated low contact resistance and higher light emission by using ZnO as a barrier material between oxidize Ni/Au and Al reflecting layer. In summary, our investigation demonstrates the applicability of ZnO-based transparent contacts for high performance LEDs that will be larger in size and are expected to be operating at higher current for solid-state lighting of the future. (Abstract shortened by UMI.)

Biological hydrogels as selective diffusion barriers.

PubMed

Lieleg, Oliver; Ribbeck, Katharina

2011-09-01

The controlled exchange of molecules between organelles, cells, or organisms and their environment is crucial for life. Biological gels such as mucus, the extracellular matrix (ECM), and the biopolymer barrier within the nuclear pore are well suited to achieve such a selective exchange, allowing passage of particular molecules while rejecting many others. Although hydrogel-based filters are integral parts of biology, clear concepts of how their barrier function is controlled at a microscopic level are still missing. We summarize here our current understanding of how selective filtering is established by different biopolymer-based hydrogels. We ask if the modulation of microscopic particle transport in biological hydrogels is based on a generic filtering principle which employs biochemical/biophysical interactions with the filtered molecules rather than size-exclusion effects. Copyright © 2011 Elsevier Ltd. All rights reserved.

Phase transition in conservative diffusive contact processes

NASA Astrophysics Data System (ADS)

Fiore, Carlos E.; de Oliveira, Mário J.

2004-10-01

We determine the phase diagrams of conservative diffusive contact processes by means of numerical simulations. These models are versions of the ordinary diffusive single-creation, pair-creation, and triplet-creation contact processes in which the particle number is conserved. The transition between the frozen and active states was determined by studying the system in the subcritical regime, and the nature of the transition, whether continuous or first order, was determined by looking at the fractal dimension of the critical cluster. For the single-creation model the transition remains continuous for any diffusion rate. For pair- and triplet-creation models, however, the transition becomes first order for high enough diffusion rate. Our results indicate that in the limit of infinite diffusion rate the jump in density equals 2/3 for the pair-creation model and 5/6 for the triplet-creation model.

Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

NASA Astrophysics Data System (ADS)

Cai, Danyun; Mo, Yunjie; Feng, Xiaofang; He, Yingyou; Jiang, Shaoji

2017-06-01

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.

Corrosion resistant coatings suitable for elevated temperature application

DOEpatents

Chan, Kwai S [San Antonio, TX; Cheruvu, Narayana Sastry [San Antonio, TX; Liang, Wuwei [Austin, TX

2012-07-31

The present invention relates to corrosion resistance coatings suitable for elevated temperature applications, which employ compositions of iron (Fe), chromium (Cr), nickel (Ni) and/or aluminum (Al). The compositions may be configured to regulate the diffusion of metals between a coating and a substrate, which may then influence coating performance, via the formation of an inter-diffusion barrier layer. The inter-diffusion barrier layer may comprise a face-centered cubic phase.

Tunnel barrier schottky

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, Rongming; Cao, Yu; Li, Zijian

2018-02-20

A diode includes: a semiconductor substrate; a cathode metal layer contacting a bottom of the substrate; a semiconductor drift layer on the substrate; a graded aluminum gallium nitride (AlGaN) semiconductor barrier layer on the drift layer and having a larger bandgap than the drift layer, the barrier layer having a top surface and a bottom surface between the drift layer and the top surface, the barrier layer having an increasing aluminum composition from the bottom surface to the top surface; and an anode metal layer directly contacting the top surface of the barrier layer.

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

NASA Astrophysics Data System (ADS)

Yang, De-zheng; Wang, Wen-chun; Jia, Li; Nie, Dong-xia; Shi, Heng-chao

2011-04-01

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.

Best practices, new perspectives and the perfect emollient: optimizing the management of contact dermatitis.

PubMed

Lachapelle, Jean-Marie; Gimenez-Arnau, Ana; Metz, Martin; Peters, Jill; Proksch, Ehrhardt

2018-05-01

Contact dermatitis (CD) is caused by environmental agents, irritants, and allergens that penetrate the epidermis and lead to inflammation. An intact skin barrier prevents penetration and is important in maintaining healthy skin. Classical diagnosis of CD is made using the patch test, and traditional treatment strategies for CD promote skin barrier integrity and resolve the inflammatory component of the condition. This can be achieved by using emollient-based therapy, which is most important for skin barrier repair, and in addition to topical glucocorticosteroids, which are used in severe cases of CD and are most effective in reducing inflammation. Preventative measures, such as irritant and allergen avoidance in the workplace, also play a pivotal role in effective CD management. Moreover, CD management necessitates a holistic approach that incorporates prevention, barrier repair, and inflammatory resolution to ensure optimized efficacy. It is also important to consider potential barriers to optimal management when evaluating individuals with CD, such as limited patient education or poor access to care. Finally, key literature and our own clinical practice experience have highlighted the value of patient preference, as well as safety, efficacy and simplicity, in building the perfect emollient.

Morphology, stoichiometry, and crystal structure control via post-annealing for Pt-ZnO nanograin Schottky barrier interfaces

NASA Astrophysics Data System (ADS)

Chan, Yuet Ching; Yu, Jerry; Ho, Derek

2018-06-01

Nanointerfaces have attracted intensive research effort for advanced electronics due to their unique and tunable semiconducting properties made possible by metal-contacted oxide structures at the nanoscale. Although much work has been on the adjustment of fabrication parameters to achieve high-quality interfaces, little work has experimentally obtained the various correlations between material parameters and Schottky barrier electronic properties to accurately probe the underlying phenomenon. In this work, we investigate the control of Pt-ZnO nanograin interfaces properties by thermal annealing. Specifically, we quantitatively analyze the correlation between material parameters (such as surface morphology, crystallographic structure, and stoichiometry) and Schottky diode parameters (Schottky barrier height, ideality factor, and contact resistance). Results revealed strong dependencies of Schottky barrier characteristics on oxygen vacancies, surface roughness, grain density, d-spacing, and crystallite size. I-V-T data shows that annealing at 600 °C produces a nanograin based interface with the most rectifying diode characteristics. These dependencies, which have not been previously reported holistically, highlight the close relationship between material properties and Schottky barrier characteristics, and are instrumental for the performance optimization of nanostructured metal-semiconductor interfaces in advanced electronic devices.

Modeling and sensitivity analysis of mass transfer in active multilayer polymeric film for food applications

NASA Astrophysics Data System (ADS)

Bedane, T.; Di Maio, L.; Scarfato, P.; Incarnato, L.; Marra, F.

2015-12-01

The barrier performance of multilayer polymeric films for food applications has been significantly improved by incorporating oxygen scavenging materials. The scavenging activity depends on parameters such as diffusion coefficient, solubility, concentration of scavenger loaded and the number of available reactive sites. These parameters influence the barrier performance of the film in different ways. Virtualization of the process is useful to characterize, design and optimize the barrier performance based on physical configuration of the films. Also, the knowledge of values of parameters is important to predict the performances. Inverse modeling and sensitivity analysis are sole way to find reasonable values of poorly defined, unmeasured parameters and to analyze the most influencing parameters. Thus, the objective of this work was to develop a model to predict barrier properties of multilayer film incorporated with reactive layers and to analyze and characterize their performances. Polymeric film based on three layers of Polyethylene terephthalate (PET), with a core reactive layer, at different thickness configurations was considered in the model. A one dimensional diffusion equation with reaction was solved numerically to predict the concentration of oxygen diffused into the polymer taking into account the reactive ability of the core layer. The model was solved using commercial software for different film layer configurations and sensitivity analysis based on inverse modeling was carried out to understand the effect of physical parameters. The results have shown that the use of sensitivity analysis can provide physical understanding of the parameters which highly affect the gas permeation into the film. Solubility and the number of available reactive sites were the factors mainly influencing the barrier performance of three layered polymeric film. Multilayer films slightly modified the steady transport properties in comparison to net PET, giving a small reduction in the permeability and oxygen transfer rate values. Scavenging capacity of the multilayer film increased linearly with the increase of the reactive layer thickness and the oxygen absorption reaction at short times decreased proportionally with the thickness of the external PET layer.

Modeling and sensitivity analysis of mass transfer in active multilayer polymeric film for food applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bedane, T.; Di Maio, L.; Scarfato, P.

The barrier performance of multilayer polymeric films for food applications has been significantly improved by incorporating oxygen scavenging materials. The scavenging activity depends on parameters such as diffusion coefficient, solubility, concentration of scavenger loaded and the number of available reactive sites. These parameters influence the barrier performance of the film in different ways. Virtualization of the process is useful to characterize, design and optimize the barrier performance based on physical configuration of the films. Also, the knowledge of values of parameters is important to predict the performances. Inverse modeling and sensitivity analysis are sole way to find reasonable values ofmore » poorly defined, unmeasured parameters and to analyze the most influencing parameters. Thus, the objective of this work was to develop a model to predict barrier properties of multilayer film incorporated with reactive layers and to analyze and characterize their performances. Polymeric film based on three layers of Polyethylene terephthalate (PET), with a core reactive layer, at different thickness configurations was considered in the model. A one dimensional diffusion equation with reaction was solved numerically to predict the concentration of oxygen diffused into the polymer taking into account the reactive ability of the core layer. The model was solved using commercial software for different film layer configurations and sensitivity analysis based on inverse modeling was carried out to understand the effect of physical parameters. The results have shown that the use of sensitivity analysis can provide physical understanding of the parameters which highly affect the gas permeation into the film. Solubility and the number of available reactive sites were the factors mainly influencing the barrier performance of three layered polymeric film. Multilayer films slightly modified the steady transport properties in comparison to net PET, giving a small reduction in the permeability and oxygen transfer rate values. Scavenging capacity of the multilayer film increased linearly with the increase of the reactive layer thickness and the oxygen absorption reaction at short times decreased proportionally with the thickness of the external PET layer.« less

Development and assessment of atomistic models for predicting static friction coefficients

NASA Astrophysics Data System (ADS)

Jahangiri, Soran; Heverly-Coulson, Gavin S.; Mosey, Nicholas J.

2016-08-01

The friction coefficient relates friction forces to normal loads and plays a key role in fundamental and applied areas of science and technology. Despite its importance, the relationship between the friction coefficient and the properties of the materials forming a sliding contact is poorly understood. We illustrate how simple relationships regarding the changes in energy that occur during slip can be used to develop a quantitative model relating the friction coefficient to atomic-level features of the contact. The slip event is considered as an activated process and the load dependence of the slip energy barrier is approximated with a Taylor series expansion of the corresponding energies with respect to load. The resulting expression for the load-dependent slip energy barrier is incorporated in the Prandtl-Tomlinson (PT) model and a shear-based model to obtain expressions for friction coefficient. The results indicate that the shear-based model reproduces the static friction coefficients μs obtained from first-principles molecular dynamics simulations more accurately than the PT model. The ability of the model to provide atomistic explanations for differences in μs amongst different contacts is also illustrated. As a whole, the model is able to account for fundamental atomic-level features of μs, explain the differences in μs for different materials based on their properties, and might be also used in guiding the development of contacts with desired values of μs.

School-based Screening to Identify Children At Risk for Attention-Deficit/Hyperactivity Disorder: Barriers and Implications

PubMed Central

Barry, Tammy D.; Sturner, Raymond A.; Seymour, Karen; Howard, Barbara H.; McGoron, Lucy; Bergmann, Paul; Kent, Ronald; Sullivan, Casey; Tomeny, Theodore S.; Pierce, Jessica S.; Coin, Kristen L.; Goodlad, James K.; Werle, Nichole

2014-01-01

This report describes a school-based screening project to improve early identification of children at risk for attention-deficit/hyperactivity disorder (ADHD) and communicate these concerns to parents, recommending that they contact their child’s primary care provider (PCP). Of 17,440 eligible children in first through fifth grades in five school districts, 47.0% of parents provided required written consent, and teachers completed 70.4% of the online screeners (using the Vanderbilt AD/HD Diagnostic Teacher Rating Scale). Of 5,772 screeners completed, 18.1% of children (n = 1,044) were identified as at risk. Parents of at-risk children were contacted to explain risk status and recommended to visit their child’s PCP for further evaluation. It was not possible to contact 39.1% of parents of at-risk children. Of the 636 parents of at-risk children who could be contacted, 53.1% (n = 338) verbally accepted the recommendation to follow-up with their PCP, which was not related to ADHD symptom severity. Parents of children with IEPs or related services were more likely to accept the recommendation to visit the PCP. Our exploration of the potential for school-based screening for ADHD identified a number of barriers to successful execution, but the data also indicated that this is an important problem to address. PMID:27642209

Self-Limiting Oxides on WSe2 as Controlled Surface Acceptors and Low-Resistance Hole Contacts.

PubMed

Yamamoto, Mahito; Nakaharai, Shu; Ueno, Keiji; Tsukagoshi, Kazuhito

2016-04-13

Transition metal oxides show much promise as effective p-type contacts and dopants in electronics based on transition metal dichalcogenides. Here we report that atomically thin films of under-stoichiometric tungsten oxides (WOx with x < 3) grown on tungsten diselenide (WSe2) can be used as both controlled charge transfer dopants and low-barrier contacts for p-type WSe2 transistors. Exposure of atomically thin WSe2 transistors to ozone (O3) at 100 °C results in self-limiting oxidation of the WSe2 surfaces to conducting WOx films. WOx-covered WSe2 is highly hole-doped due to surface electron transfer from the underlying WSe2 to the high electron affinity WOx. The dopant concentration can be reduced by suppressing the electron affinity of WOx by air exposure, but exposure to O3 at room temperature leads to the recovery of the electron affinity. Hence, surface transfer doping with WOx is virtually controllable. Transistors based on WSe2 covered with WOx show only p-type conductions with orders of magnitude better on-current, on/off current ratio, and carrier mobility than without WOx, suggesting that the surface WOx serves as a p-type contact with a low hole Schottky barrier. Our findings point to a simple and effective strategy for creating p-type devices based on two-dimensional transition metal dichalcogenides with controlled dopant concentrations.

Optimum DMOS cell doping profiles for high-voltage discrete and integrated device technologies

NASA Astrophysics Data System (ADS)

Shenai, Krishna

1992-05-01

It is shown that the implantation and activation sequences of B and As result in significant variations in the contact resistance and p-base sheet resistance beneath the n+-source diffusion of a DMOSFET cell. For identical process parameters, the contact resistance of As-doped n+ silicon was significantly improved when high-dose B was implanted due to higher As surface concentration. The SUPREM III process modeling results were found to be in qualitative agreement with the measured spreading resistance profiles and the discrepancies could be attributed to larger high-temperature diffusion constants used in SUPREM III and the coupled As-B diffusion/activation effects that are not accounted for in process modeling. The experimental results are discussed within the framework of fabricating high-performance DMOSFET cells and CMOS high-voltage devices on the same chip for discrete and smart-power applications.

Process and structures for fabrication of solar cells with laser ablation steps to form contact holes

DOEpatents

Harley, Gabriel; Smith, David D; Dennis, Tim; Waldhauer, Ann; Kim, Taeseok; Cousins, Peter John

2013-11-19

Contact holes of solar cells are formed by laser ablation to accomodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thickness.

Tunneling-Magnetoresistance Ratio Comparison of MgO-Based Perpendicular-Magnetic-Tunneling-Junction Spin Valve Between Top and Bottom Co2Fe6B2 Free Layer Structure.

PubMed

Lee, Du-Yeong; Lee, Seung-Eun; Shim, Tae-Hun; Park, Jea-Gun

2016-12-01

For the perpendicular-magnetic-tunneling-junction (p-MTJ) spin valve with a nanoscale-thick bottom Co2Fe6B2 free layer ex situ annealed at 400 °C, which has been used as a common p-MTJ structure, the Pt atoms of the Pt buffer layer diffused into the MgO tunneling barrier. This transformed the MgO tunneling barrier from a body-centered cubic (b.c.c) crystallized layer into a mixture of b.c.c, face-centered cubic, and amorphous layers and rapidly decreased the tunneling-magnetoresistance (TMR) ratio. The p-MTJ spin valve with a nanoscale-thick top Co2Fe6B2 free layer could prevent the Pt atoms diffusing into the MgO tunneling barrier during ex situ annealing at 400 °C because of non-necessity of a Pt buffer layer, demonstrating the TMR ratio of ~143 %.

Recipes for lateral spin transport between magnetic contacts, advantage of carbon-based materials.

NASA Astrophysics Data System (ADS)

Fert, Albert

2010-03-01

After the presentation of magneto-transport results [1] on metallic carbon nanotubes (CNT) between LSMO electrodes (MR 60-70%, [VAP -- VP] 60mV), I will discuss the general problem of spin transport in a nonmagnetic lateral channel between spin-polarized contacts in both the diffusive and ballistic regimes. In the diffusive regime, a treatment by the classical drift-diffusion equations applied to a multi-terminal structure is used to calculate what can be expected for the output signal with local or non-local voltage probes. A general result is that the output signal (δR = δV/I where δV is the local or non-local output voltage), directly related to the spin accumulation splitting in the channel, scales with the smallest of the relevant spin and interfaces resistances. In the best situation, that is with only tunnel contacts having the same (large) resistance RT and separated by less than the spin diffusion length (λ) in a lateral channel limited to the zone of the contacts, the signal δR increases in proportion of RT as long as the dwell time is smaller than the spin lifetime. δR can be thus much larger than the spin resistance of the channel (product of its resistivity by the ratio λ/section ). This explain why, in the experiments of Ref.[1] on CNT, δR can be as large as 90 Mφ, that is of the order of the tunnel contact resistances and much larger than the spin resistance of the CNT (smaller signals in experiments with CNT or graphene are often due the leak of spin accumulation in lateral channels extending too far outside the contacts). The relative disadvantage for semiconductors comes from the too long dwell time due to much smaller electron velocities than in metallic CNTs (and graphene). We will conclude by a similar analysis of the ballistic regime and a discussion of experiments with graphene. [4pt] [1] Hueso et al, Nature 445, 410 (2007).

The Diffusion Process of Patient Education in Dutch Community Pharmacy: An Exploration.

ERIC Educational Resources Information Center

Pronk, M. C. M.; Blom, A. Th. G.; Van Burg, A.; Jonkers, R.

2001-01-01

Identifies barriers and facilitators to the implementation of patient education in community pharmacies and classifies these barriers and facilitators into the diffusion stages of Rogers'"Innovations in Organizations" model. Discusses the implementation of patient education activities that require individual and organizational change in…

Giant enhancement of fluctuation in small biological systems under external fields

NASA Astrophysics Data System (ADS)

Hayashi, Kumiko; Hasegawa, Shin; Tsunoda, Satoshi P.

2016-05-01

The giant enhancement (GE) of fluctuation under an external field is a universal phenomenon predicted by the theoretical analysis given in (Reimann et al 2001 Phys. Rev. Lett.). Here, we propose the application of the theory of the GE of fluctuation to estimate the energy barrier of a biomolecule that exhibits its function subject to thermal noise. The rotary motor protein F1 was used as a model, which is a component of FoF1 adenosine triphosphate (ATP)-synthase. In the single-molecule experiment on F1, the diffusion coefficients of a rotary probe attached to F1, which characterised the fluctuation of the system, were measured under the influence of an electro-rotary field. These diffusion coefficients were then used to estimate a high-energy barrier of the rotary potential of F1 based on the theory of the GE of fluctuation. Furthermore, the ion channel protein channelrhodopsin (ChR) was used as another research model. The current fluctuations of ions moving through ChR were numerically investigated using a simulation model of the protein in the presence of an external voltage. The energy barrier for ion conduction is discussed based on the current fluctuations.

Theory and simulation of ion conduction in the pentameric GLIC channel.

PubMed

Zhu, Fangqiang; Hummer, Gerhard

2012-10-09

GLIC is a bacterial member of the large family of pentameric ligand-gated ion channels. To study ion conduction through GLIC and other membrane channels, we combine the one-dimensional potential of mean force for ion passage with a Smoluchowski diffusion model, making it possible to calculate single-channel conductance in the regime of low ion concentrations from all-atom molecular dynamics (MD) simulations. We then perform MD simulations to examine sodium ion conduction through the GLIC transmembrane pore in two systems with different bulk ion concentrations. The ion potentials of mean force, calculated from umbrella sampling simulations with Hamiltonian replica exchange, reveal a major barrier at the hydrophobic constriction of the pore. The relevance of this barrier for ion transport is confirmed by a committor function that rises sharply in the barrier region. From the free evolution of Na(+) ions starting at the barrier top, we estimate the effective diffusion coefficient in the barrier region, and subsequently calculate the conductance of the pore. The resulting diffusivity compares well with the position-dependent ion diffusion coefficient obtained from restrained simulations. The ion conductance obtained from the diffusion model agrees with the value determined via a reactive-flux rate calculation. Our results show that the conformation in the GLIC crystal structure, with an estimated conductance of ~1 picosiemens at 140 mM ion concentration, is consistent with a physiologically open state of the channel.

Implementing a web-based home monitoring system within an academic health care network: barriers and facilitators to innovation diffusion.

PubMed

Pelletier, Alexandra C; Jethwani, Kamal; Bello, Heather; Kvedar, Joseph; Grant, Richard W

2011-01-01

The practice of outpatient type 2 diabetes management is gradually moving from the traditional visit-based, fee-for-service model to a new, health information communication technology (ICT)-supported model that can enable non-visit-based diabetes care. To date, adoption of innovative health ICT tools for diabetes management has been slowed by numerous barriers, such as capital investment costs, lack of reliable reimbursement mechanisms, design defects that have made some systems time-consuming and inefficient to use, and the need to integrate new ICT tools into a system not primarily designed for their use. Effective implementation of innovative diabetes health ICT interventions must address local practice heterogeneity and the interaction of this heterogeneity with clinical care delivery. The Center for Connected Health at Partners Healthcare has implemented a new ICT intervention, Diabetes Connect (DC), a Web-based glucose home monitoring and clinical messaging system. Using the framework of the diffusion of innovation theory, we review the implementation and examine lessons learned as we continue to deploy DC across the health care network. © 2010 Diabetes Technology Society.

Barrier height modification and mechanism of carrier transport in Ni/in situ grown Si3N4/n-GaN Schottky contacts

NASA Astrophysics Data System (ADS)

Karpov, S. Y.; Zakheim, D. A.; Lundin, W. V.; Sakharov, A. V.; Zavarin, E. E.; Brunkov, P. N.; Lundina, E. Y.; Tsatsulnikov, A. F.

2018-02-01

In situ growth of an ultra-thin (up to 2.5 nm) Si3N4 film on the top of n-GaN is shown to reduce remarkably the height of the barrier formed by deposition of Ni-based Schottky contact. The reduction is interpreted in terms of polarization dipole induced at the Si3N4/n-GaN interface and Fermi level pinning at the Ni/Si3N4 interface. Detailed study of temperature-dependent current-voltage characteristics enables identification of the electron transport mechanism in such Schottky diodes under forward bias: thermal/field electron emission over the barrier formed in n-GaN followed by tunneling through the Si3N4 film. At reverse bias and room temperature, the charge transfer is likely controlled by Poole-Frenkel ionization of deep traps in n-GaN. Tunneling exponents at forward and reverse biases and the height of the Ni/Si3N4 Schottky barrier are evaluated experimentally and compared with theoretical predictions.

Nano-Nucleation Characteristic of Cu-Ag Alloy Directly Electrodeposited on W Diffusion Barrier for Microelectronic Device Interconnect.

PubMed

Kim, Kang O; Kim, Sunjung

2016-05-01

Cu-Ag alloy interconnect is promising for ultra-large-scale integration (ULSI) microelectronic system of which device dimension keeps shrinking. In this study, seedless electrodeposition of Cu-Ag alloy directly on W diffusion barrier as interconnect technology is presented in respect of nano-nucleation control. Chemical equilibrium state of electrolyte was fundamentally investigated according to the pH of electrolyte because direct nano-nucleation of Cu-Ag alloy on W surface is challenging. Chelation behavior of Cu2+ and Ag+ ions with citrate (Cit) and ammonia ligands was dependent on the pH of electrolyte. The amount and kind of Cu- and Ag-based complexes determine the deposition rate, size, elemental composition, and surface morphology of Cu-Ag alloy nano-nuclei formed on W surface.

Fast Mg2+ diffusion in Mo3(PO4)3O for Mg batteries.

PubMed

Rong, Ziqin; Xiao, Penghao; Liu, Miao; Huang, Wenxuan; Hannah, Daniel C; Scullin, William; Persson, Kristin A; Ceder, Gerbrand

2017-07-13

In this work, we identify a new potential Mg battery cathode structure Mo 3 (PO 4 ) 3 O, which is predicted to exhibit ultra-fast Mg 2+ diffusion and relatively high voltage based on first-principles density functional theory calculations. Nudged elastic band calculations reveal that the migration barrier of the percolation channel is only ∼80 meV, which is remarkably low, and comparable to the best Li-ion conductors. This low barrier is verified by ab initio molecular dynamics and kinetic Monte Carlo simulations. The voltage and specific energy are predicted to be ∼1.98 V and ∼173 W h kg -1 , respectively. If confirmed by experiments, this material would have the highest known Mg mobility among inorganic compounds.

Amorphous-Metal-Film Diffusion Barriers

NASA Technical Reports Server (NTRS)

Nicolet, M. A.

1987-01-01

Incorporation of N into Ni/W films reduces reactivity with Si substrate. Paper describes reactions between Si substrates and deposited amorphous Ni/W or Ni/N/W films. Thermal stability of amorphous Ni/W films as diffusion barriers in Si markedly improved by introduction of N into Ni/W films during deposition.

Tuning the Schottky contacts in the phosphorene and graphene heterostructure by applying strain.

PubMed

Liu, Biao; Wu, Li-Juan; Zhao, Yu-Qing; Wang, Lin-Zhi; Caii, Meng-Qiu

2016-07-20

The structures and electronic properties of the phosphorene and graphene heterostructure are investigated by density functional calculations using the hybrid Heyd-Scuseria-Ernzerhof (HSE) functional. The results show that the intrinsic properties of phosphorene and graphene are preserved due to the weak van der Waals contact. But the electronic properties of the Schottky contacts in the phosphorene and graphene heterostructure can be tuned from p-type to n-type by the in-plane compressive strains from -2% to -4%. After analyzing the total band structure and density of states of P atom orbitals, we find that the Schottky barrier height (SBH) is determined by the P-pz orbitals. What is more, the variation of the work function of the phosphorene monolayer and the graphene electrode and the Fermi level shift are the nature of the transition of Schottky barrier from n-type Schottky contact to p-type Schottky contact in the phosphorene and graphene heterostructure under different in-plane strains. We speculate that these are general results of tuning of the electronic properties of the Schottky contacts in the phosphorene and graphene heterostructure by controlling the in-plane compressive strains to obtain a promising method to design and fabricate a phosphorene-graphene based field effect transistor.

Anisotropic Thermal Diffusivities of Plasma-Sprayed Thermal Barrier Coatings

NASA Astrophysics Data System (ADS)

Akoshima, Megumi; Takahashi, Satoru

2017-09-01

Thermal barrier coatings (TBCs) are used to shield the blades of gas turbines from heat and wear. There is a pressing need to evaluate the thermal conductivity of TBCs in the thermal design of advanced gas turbines with high energy efficiency. These TBCs consist of a ceramic-based top coat and a bond coat on a superalloy substrate. Usually, the focus is on the thermal conductivity in the thickness direction of the TBC because heat tends to diffuse from the surface of the top coat to the substrate. However, the in-plane thermal conductivity is also important in the thermal design of gas turbines because the temperature distribution within the turbine cannot be ignored. Accordingly, a method is developed in this study for measuring the in-plane thermal diffusivity of the top coat. Yttria-stabilized zirconia top coats are prepared by thermal spraying under different conditions. The in-plane and cross-plane thermal diffusivities of the top coats are measured by the flash method to investigate the anisotropy of thermal conduction in a TBC. It is found that the in-plane thermal diffusivity is higher than the cross-plane one for each top coat and that the top coats have significantly anisotropic thermal diffusivity. The cross-sectional and in-plane microstructures of the top coats are observed, from which their porosities are evaluated. The thermal diffusivity and its anisotropy are discussed in detail in relation to microstructure and porosity.

Macromolecule diffusion and confinement in prokaryotic cells.

PubMed

Mika, Jacek T; Poolman, Bert

2011-02-01

We review recent observations on the mobility of macromolecules and their spatial organization in live bacterial cells. We outline the major fluorescence microscopy-based methods to determine the mobility and thus the diffusion coefficients (D) of molecules, which is not trivial in small cells. The extremely high macromolecule crowding of prokaryotes is used to rationalize the reported lower diffusion coefficients as compared to eukaryotes, and we speculate on the nature of the barriers for diffusion observed for proteins (and mRNAs) in vivo. Building on in vitro experiments and modeling studies, we evaluate the size dependence of diffusion coefficients for macromolecules in vivo, in case of both water-soluble and integral membrane proteins. We comment on the possibilities of anomalous diffusion and provide examples where the macromolecule mobility may be limiting biological processes. Copyright © 2010 Elsevier Ltd. All rights reserved.

Effect of stratum corneum heterogeneity, anisotropy, asymmetry and follicular pathway on transdermal penetration.

PubMed

Barbero, Ana M; Frasch, H Frederick

2017-08-28

The impact of the complex structure of the stratum corneum on transdermal penetration is not yet fully described by existing models. A quantitative and thorough study of skin permeation is essential for chemical exposure assessment and transdermal delivery of drugs. The objective of this study is to analyze the effects of heterogeneity, anisotropy, asymmetry, follicular diffusion, and location of the main barrier of diffusion on percutaneous permeation. In the current study, the solution of the transient diffusion through a two-dimensional-anisotropic brick-and-mortar geometry of the stratum corneum is obtained using the commercial finite element program COMSOL Multiphysics. First, analytical solutions of an equivalent multilayer geometry are used to determine whether the lipids or corneocytes constitute the main permeation barrier. Also these analytical solutions are applied for validations of the finite element solutions. Three illustrative compounds are analyzed in these sections: diethyl phthalate, caffeine and nicotine. Then, asymmetry with depth and follicular diffusion are studied using caffeine as an illustrative compound. The following findings are drawn from this study: the main permeation barrier is located in the lipid layers; the flux and lag time of diffusion through a brick-and-mortar geometry are almost identical to the values corresponding to a multilayer geometry; the flux and lag time are affected when the lipid transbilayer diffusivity or the partition coefficients vary with depth, but are not affected by depth-dependent corneocyte diffusivity; and the follicular contribution has significance for low transbilayer lipid diffusivity, especially when flux between the follicle and the surrounding stratum corneum is involved. This study demonstrates that the diffusion is primarily transcellular and the main barrier is located in the lipid layers. Published by Elsevier B.V.

Potential of Kaolin-based Particle Film Barriers for Formosan Subterranean Termite (Isoptera: Rhinotermitidae) Control

USDA-ARS?s Scientific Manuscript database

Effects of three particle film products on Formosan subterranean termites, Coptotermes formosanus Shiraki, were evaluated in feeding, tunneling, and contact assays. The particle films, hydrophobic M96-018 and hydrophilic Surround and Surround WP are based on the inert clay mineral kaolin. In 2-week ...

Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion

PubMed Central

Zhang, Chao; Knyazev, Denis G.; Vereshaga, Yana A.; Ippoliti, Emiliano; Nguyen, Trung Hai; Carloni, Paolo; Pohl, Peter

2012-01-01

Fast lateral proton migration along membranes is of vital importance for cellular energy homeostasis and various proton-coupled transport processes. It can only occur if attractive forces keep the proton at the interface. How to reconcile this high affinity to the membrane surface with high proton mobility is unclear. Here, we tested whether a minimalistic model interface between an apolar hydrophobic phase (n-decane) and an aqueous phase mimics the biological pathway for lateral proton migration. The observed diffusion span, on the order of tens of micrometers, and the high proton mobility were both similar to the values previously reported for lipid bilayers. Extensive ab initio simulations on the same water/n-decane interface reproduced the experimentally derived free energy barrier for the excess proton. The free energy profile GH+ adopts the shape of a well at the interface, having a width of two water molecules and a depth of 6 ± 2RT. The hydroniums in direct contact with n-decane have a reduced mobility. However, the hydroniums in the second layer of water molecules are mobile. Their in silico diffusion coefficient matches that derived from our in vitro experiments, (5.7 ± 0.7) × 10-5 cm2 s-1. Conceivably, these are the protons that allow for fast diffusion along biological membranes. PMID:22675120

A fully coupled 3D transport model in SPH for multi-species reaction-diffusion systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adami, Stefan; Hu, X. Y.; Adams, N. A.

2011-08-23

Abstract—In this paper we present a fully generalized transport model for multiple species in complex two and threedimensional geometries. Based on previous work [1] we have extended our interfacial reaction-diffusion model to handle arbitrary numbers of species allowing for coupled reaction models. Each species is tracked independently and we consider different physics of a species with respect to the bulk phases in contact. We use our SPH model to simulate the reaction-diffusion problem on a pore-scale level of a solid oxide fuel cell (SOFC) with special emphasize on the effect of surface diffusion.

Electrical, Chemical, And Microstructural Analysis of the Thermal Stability of Nickel-based Ohmic Contacts to Silicon Carbide for High-Temperature Electronics

NASA Astrophysics Data System (ADS)

Virshup, Ariel R.

With increasing attention on curbing the emission of pollutants into the atmosphere, chemical sensors that can be used to monitor and control these unwanted emissions are in great demand. Examples include monitoring of hydrocarbons from automobile engines and monitoring of flue gases such as CO emitted from power plants. One of the critical limitations in high-temperature SiC gas sensors, however, is the degradation of the metal-SiC contacts over time. In this dissertation, we investigated the high-temperature stability of Pt/TaSix/Ni/SiC ohmic contacts, which have been implemented in SiC-based gas sensors developed for applications in diesel engines and power plants. The high-temperature stability of a Pt/TaSi2/Ni/SiC ohmic contact metallization scheme was characterized using a combination of current-voltage measurements, Auger electron spectroscopy, secondary ion mass spectrometry, and transmission electron microscope imaging and associated analytical techniques. Increasing the thicknesses of the Pt and TaSi2 layers promoted electrical stability of the contacts, which remained ohmic at 600°C in air for over 300 h; the specific contact resistance showed only a gradual increase from an initial value of 5.2 x 10-5 O-cm 2. We observed a continuous silicon-oxide layer in the thinner contact structures, which failed after 36 h of heating. It was found that the interface between TaSix and NiySi was weakened by the accumulation of free carbon (produced by the reaction of Ni and SiC), which in turn facilitated oxygen diffusion from the contact edges. Additional oxygen diffusion occurred along grain boundaries in the Pt overlayer. Meanwhile, thicker contacts, with less interfacial free carbon and enhanced electrical stability contained a much lower oxygen concentration that was distributed across the contact layers, precluding the formation of an electrically insulating contact structure.

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

PubMed

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.

Structural and Thermodynamic Factors of Suppressed Interdiffusion Kinetics in Multi-component High-entropy Materials

PubMed Central

Chang, Shou-Yi; Li, Chen-En; Huang, Yi-Chung; Hsu, Hsun-Feng; Yeh, Jien-Wei; Lin, Su-Jien

2014-01-01

We report multi-component high-entropy materials as extraordinarily robust diffusion barriers and clarify the highly suppressed interdiffusion kinetics in the multi-component materials from structural and thermodynamic perspectives. The failures of six alloy barriers with different numbers of elements, from unitary Ti to senary TiTaCrZrAlRu, against the interdiffusion of Cu and Si were characterized, and experimental results indicated that, with more elements incorporated, the failure temperature of the barriers increased from 550 to 900°C. The activation energy of Cu diffusion through the alloy barriers was determined to increase from 110 to 163 kJ/mole. Mechanistic analyses suggest that, structurally, severe lattice distortion strains and a high packing density caused by different atom sizes, and, thermodynamically, a strengthened cohesion provide a total increase of 55 kJ/mole in the activation energy of substitutional Cu diffusion, and are believed to be the dominant factors of suppressed interdiffusion kinetics through the multi-component barrier materials. PMID:24561911

Al-based anti-corrosion and T-permeation barrier development for future DEMO blankets

NASA Astrophysics Data System (ADS)

Krauss, W.; Konys, J.; Holstein, N.; Zimmermann, H.

2011-10-01

In the Helium-Cooled-Liquid-Lead (HCLL) design of Test-Blanket-Modules (TBM's) for a future fusion power plant Pb-15.7Li is used as liquid breeder which is in direct contact with the structure material, e.g. EUROFER steel. Compatibility testing showed that high corrosion attack appears and that the dissolved steel components form precipitates with a high risk of system blockages. A reliable operation needs coatings as corrosion barriers. The earlier developed Hot-Dip Aluminisation (HDA) process has shown that Al-based scales can act as anti-corrosion as well as T-permeation barriers. Meanwhile two advanced electro-chemically based processes for deposition of Al-scales were successfully developed. The first (ECA = Electro-Chemical Al-deposition) is working with an organic electrolyte and the second one (ECX = Electro-Chemical-X-metal-deposition) is based on ionic liquids. Coatings in the μm-range were deposited homogeneously with exact controllable thicknesses. Metallurgical investigations showed the successful generation of protective scales and compatibility testing demonstrated the barrier function.

Diffusion behavior of Cu/Ta heterogeneous interface under high temperature and high strain: An atomistic investigation

NASA Astrophysics Data System (ADS)

Li, Ganglong; Wu, Houya; Luo, Honglong; Chen, Zhuo; Tay, Andrew A. O.; Zhu, Wenhui

2017-09-01

Three-dimensional (3D) integration technology using Cu interconnections has emerged as a promising solution to improve the performance of silicon microelectronic devices. However, Cu diffuses into SiO2 and requires a barrier layer such as Ta to ensure acceptable reliability. In this paper, the effects of temperature and strain normal to the interface on the inter-diffusion of Cu and Ta at annealing conditions are investigated using a molecular dynamics (MD) technique with embedded atomic method (EAM) potentials. Under thermal annealing conditions without strain, it is found that a Cu-rich diffusion region approximately 2 nm thick is formed at 1000 K after 10 ns of annealing. Ta is capable of diffusing into the interior of Cu but Cu hardly diffuses into the inner lattice of Ta. At the Cu side near the interface an amorphous structure is formed due to the process of diffusion. The diffusion activation energy of Cu and Ta are found to be 0.9769 and 0.586 eV, respectively. However, when a strain is applied, a large number of crystal defects are generated in the sample. As the strain is increased, extrinsic stacking faults (ESFs) and lots of Shockley partial dislocations appear. The density of the dislocations and the diffusion channels increase, promoting the diffusion of Cu atoms into the inner lattice of Ta. The thickness of the diffusion layer increases to 4 times the value when only a temperature load of 700 K is applied. The MD simulations demonstrated that Ta is very effective as a barrier layer under thermal loading only, and its effectiveness is impaired by tensile strain at the Cu/Ta interface. The simulations also clarified the mechanism that caused the impairment. The methodology and approach described in this paper can be followed further to study the effectiveness of barrier layers under various annealing and strain conditions, and to determine the minimum thickness of barrier layers required for a particular application.

Managing Occupational Irritant Contact Dermatitis Using a Two-Step Skincare Regimen Designed to Prevent Skin Damage and Support Skin Recovery.

PubMed

von Grote, Erika C; Palaniswarmy, Kiruthi; Meckfessel, Matthew H

2016-12-01

Occupational irritant contact dermatitis (ICD) affecting the hands is a common and difficult-to-manage condition. Occupations that necessitate contact with harsh chemicals, use of alcohol-based disinfectants, and frequent hand washing elevate the risk of ICD. Management strategies that do not adequately prevent accumulated damage and repair skin, can develop into chronic dermatoses which negatively impact work productivity and quality of life. A 2-step skin-care regimen (Excipial Daily Protection Hand Cream (EP) and Excipial Rapid Repair Hand Cream (ER), Galderma Laboratories, L.P.) has been developed as a daily-use management strategy to protect and repair vulnerable hands. The protective barrier cream is formulated with aluminum chlorohydrate and designed for pre-exposure application to enhance the skin's natural protective barrier and minimize excessive moisture while wearing protective gloves. The repair cream, a lipid-rich formulation, is intended for post-exposure application to rehydrate and facilitate the skin's natural healing process. The results of 3 clinical studies highlighted in this review demonstrate how the use of a 2-step skin-care regimen offers a greater protective effect against ICD than the use of barrier cream alone, and also how the formulation of the barrier cream used in these studies helps minimize the occlusion effect caused by gloves and does not interfere with the antibacterial efficacy of an alcohol-based hand sanitizer. This 2-step skin-care regimen is effectively designed to manage and minimize the risk of ICD development in a variety of patients and provides clinicians an additional tool for helping patients manage ICD. J Drugs Dermatol. 2016;15(12):1504-1510.

Modulation of Folding Internal Friction by Local and Global Barrier Heights.

PubMed

Zheng, Wenwei; de Sancho, David; Best, Robert B

2016-03-17

Recent experiments have revealed an unexpected deviation from a first power dependence of protein relaxation times on solvent viscosity, an effect that has been attributed to "internal friction". One clear source of internal friction in protein dynamics is the isomerization of dihedral angles. A key outstanding question is whether the global folding barrier height influences the measured internal friction, based on the observation that the folding rates of fast-folding proteins, with smaller folding free energy barriers, tend to exhibit larger internal friction. Here, by studying two alanine-based peptides, we find that systematic variation of global folding barrier heights has little effect on the internal friction for folding rates. On the other hand, increasing local torsion angle barriers leads to increased internal friction, which is consistent with solvent memory effects being the origin of the viscosity dependence. Thus, it appears that local torsion transitions determine the viscosity dependence of the diffusion coefficient on the global coordinate and, in turn, internal friction effects on the folding rate.

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

NASA Astrophysics Data System (ADS)

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.

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

NASA Astrophysics Data System (ADS)

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.

Ab initio study of novel carbon nanofoam structure as an anode material for Li secondary battery

NASA Astrophysics Data System (ADS)

Park, Hanjin; Park, Sora; Kang, Seoung-Hun; Kwon, Young-Kyun

2014-03-01

Using ab inito density functional theory, we investigate the adsorption and diffusion properties of Li atoms on a new carbon nanostructure, which may be used as an anode of Li secondary battery. We focus on a special carbon nanofoam structure consisting of Schwarzite structures with negative Gaussian curvature as core parts, which are interconnected through (4,4) CNT segments. Considering the symmetry of the nanofoam structure, we find various Li adsorption sites exhibiting relatively large binding energies (>= 2 . 00 eV). Based on these adsorption sites, we identify several diffusion paths on the outside or inside surface of the nanofoam structure and examine the diffusion barriers along the paths. Our results show that Li atom can diffuse almost freely due to its low energy barriers on both outside and inside surfaces. Finally, we also evaluate the energy gain tendency and the volume expansion as well as the average binding energy while adding Li atoms to estimate the Li-capacity and recyclability of the system, which are important characterisitics for anode materials. We conclude that the carbon nanofoam structure would be better as an anode material than graphite in Li capacity and volume expansion.

Measurement of effective bulk and contact resistance of gas diffusion layer under inhomogeneous compression - Part I: Electrical conductivity

NASA Astrophysics Data System (ADS)

Vikram, Ajit; Chowdhury, Prabudhya Roy; Phillips, Ryan K.; Hoorfar, Mina

2016-07-01

This paper describes a measurement technique developed for the determination of the effective electrical bulk resistance of the gas diffusion layer (GDL) and the contact resistance distribution at the interface of the GDL and the bipolar plate (BPP). The novelty of this study is the measurement and separation of the bulk and contact resistance under inhomogeneous compression, occurring in an actual fuel cell assembly due to the presence of the channels and ribs on the bipolar plates. The measurement of the electrical contact resistance, contributing to nearly two-third of the ohmic losses in the fuel cell assembly, shows a non-linear distribution along the GDL/BPP interface. The effective bulk resistance of the GDL under inhomogeneous compression showed a decrease of nearly 40% compared to that estimated for homogeneous compression at different compression pressures. Such a decrease in the effective bulk resistance under inhomogeneous compression could be due to the non-uniform distribution of pressure under the ribs and the channels. This measurement technique can be used to identify optimum GDL, BPP and channel-rib structures based on minimum bulk and contact resistances measured under inhomogeneous compression.

White matter alterations in college football players: a longitudinal diffusion tensor imaging study.

PubMed

Mayinger, Michael Christian; Merchant-Borna, Kian; Hufschmidt, Jakob; Muehlmann, Marc; Weir, Isabelle Ruth; Rauchmann, Boris-Stephan; Shenton, Martha Elizabeth; Koerte, Inga Katharina; Bazarian, Jeffrey John

2018-02-01

The aim of this study was to evaluate longitudinal changes in the diffusion characteristics of brain white matter (WM) in collegiate athletes at three time points: prior to the start of the football season (T1), after one season of football (T2), followed by six months of no-contact rest (T3). Fifteen male collegiate football players and 5 male non-athlete student controls underwent diffusion MR imaging and computerized cognitive testing at all three timepoints. Whole-brain tract-based spatial statistics (TBSS) were used to compare fractional anisotropy (FA), radial diffusivity (RD), axial diffusivity (AD), and trace between all timepoints. Average diffusion values were obtained from statistically significant clusters for each individual. No athlete suffered a concussion during the study period. After one season of play (T1 to T2), we observed a significant increase in trace in a cluster located in the brainstem and left temporal lobe, and a significant increase in FA in the left parietal lobe. After six months of no-contact rest (T2 to T3), there was a significant decrease in trace and FA in clusters that were partially overlapping or in close proximity with the initial clusters (T1 to T2), with no significant changes from T1 to T3. Repetitive head impacts (RHI) sustained during a single football season may result in alterations of the brain's WM in collegiate football players. These changes appear to return to baseline after 6 months of no-contact rest, suggesting remission of WM alterations. Our preliminary results suggest that collegiate football players might benefit from periods without exposure to RHI.

Laser processing of solar cells with anti-reflective coating

DOEpatents

Harley, Gabriel; Smith, David D.; Dennis, Tim; Waldhauer, Ann; Kim, Taeseok; Cousins, Peter John

2016-02-16

Contact holes of solar cells are formed by laser ablation to accommodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thicknesses.

In-plane Schottky-barrier field-effect transistors based on 1T/2H heterojunctions of transition-metal dichalcogenides

NASA Astrophysics Data System (ADS)

Fan, Zhi-Qiang; Jiang, Xiang-Wei; Luo, Jun-Wei; Jiao, Li-Ying; Huang, Ru; Li, Shu-Shen; Wang, Lin-Wang

2017-10-01

As Moore's law approaches its end, two-dimensional (2D) materials are intensely studied for their potentials as one of the "More than Moore' (MM) devices. However, the ultimate performance limits and the optimal design parameters for such devices are still unknown. One common problem for the 2D-material-based device is the relative weak on-current. In this study, two-dimensional Schottky-barrier field-effect transistors (SBFETs) consisting of in-plane heterojunctions of 1T metallic-phase and 2H semiconducting-phase transition-metal dichalcogenides (TMDs) are studied following the recent experimental synthesis of such devices at a much larger scale. Our ab initio simulation reveals the ultimate performance limits of such devices and offers suggestions for better TMD materials. Our study shows that the Schottky-barrier heights (SBHs) of the in-plane 1T/2H contacts are smaller than the SBHs of out-of-plane contacts, and the contact coupling is also stronger in the in-plane contact. Due to the atomic thickness of the monolayer TMD, the average subthreshold swing of the in-plane TMD-SBFETs is found to be close to the limit of 60 mV/dec, and smaller than that of the out-of-plane TMD-SBFET device. Different TMDs are considered and it is found that the in-plane WT e2-SBFET provides the best performance and can satisfy the performance requirement of the sub-10-nm high-performance transistor outlined by the International Technology Roadmap for Semiconductors, and thus could be developed into a viable sub-10-nm MM device in the future.

Development and fabrication of lithium-doped solar cells

NASA Technical Reports Server (NTRS)

Iles, P. A.

1971-01-01

The application of contacts and coatings after lithium diffusion provides good electrical output and satisfactory contact adhesion by sintering for short times at temperatures less than the lithium diffusion temperature. High output and repeatability are obtainable from both oxygen-rich and oxygen-lean silicon. These fabrication sequence alterations have led to higher cell output, better appearance, and increased contact strength.

Unconfined lateral diffusion and an estimate of pericellular matrix viscosity revealed by measuring the mobility of gold-tagged lipids

PubMed Central

1993-01-01

Nanovid (video-enhanced) microscopy was used to determine whether lateral diffusion in the plasma membrane of colloidal gold-tagged lipid molecules is confined or is unrestricted. Confinement could be produced by domains within the plane of the plasma membrane or by filamentous barriers within the pericellular matrix. Fluorescein- phosphatidylethanolamine (F1-PE), incorporated into the plasma membranes of cultured fibroblasts, epithelial cells and keratocytes, was labeled with 30-nm colloidal gold conjugated to anti-fluorescein (anti-F1). The trajectories of the gold-labeled lipids were used to compute diffusion coefficients (DG) and to test for restricted motion. On the cell lamella, the gold-labeled lipids diffused freely in the plasma membrane. Since the gold must move through the pericellular matrix as the attached lipid diffuses in the plasma membrane, this result suggests that any extensive filamentous barriers in the pericellular matrix are at least 40 nm from the plasma membrane surface. The average diffusion coefficients ranged from 1.1 to 1.7 x 10(-9) cm2/s. These values were lower than the average diffusion coefficients (DF) (5.4 to 9.5 x 10(-9) cm2/s) obtained by FRAP. The lower DG is partially due to the pericellular matrix as demonstrated by the result that heparinase treatment of keratocytes significantly increased DG to 2.8 x 10(-9) cm2/s, but did not affect DF. Pericellular matrix viscosity was estimated from the frictional coefficients computed from DG and DF and ranged from 0.5 to 0.9 poise for untreated cells. Heparinase treatment of keratocytes decreased the apparent viscosity to approximately 0.1 poise. To evaluate the presence of domains or barriers, the trajectories and corresponding mean square displacement (MSD) plots of gold-labeled lipids were compared to the trajectories and MSD plots resulting from computer simulations of random walks within corrals. Based on these comparisons, we conclude that, if there are domains limiting the diffusion of F1-PE, most are larger than 5 microns in diameter. PMID:8416991

Study of barrier height and trap centers of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contacts by current-voltage (I-V) characteristics and deep level transient spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yapeng; Fu, Li, E-mail: fuli@nwpu.edu.cn; Sun, Jie

2015-02-28

The temperature-dependent electrical characteristics of the Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact have been studied at the temperature range of 140 K–315 K. Based on the thermionic emission theory, the ideality factor and Schottky barrier height were calculated to decrease and increase from 3.18 to 1.88 and 0.39 eV to 0.5 eV, respectively, when the temperature rose from 140 K to 315 K. This behavior was interpreted by the lateral inhomogeneities of Schottky barrier height at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} contact, which was shown by the plot of zero-bias barrier heights Φ{sub bo} versus q/2kT. Meanwhile, it was found that the Schottky barriermore » height with a Gaussian distribution was 0.67 eV and the standard deviation σ{sub 0} was about 0.092 eV, indicating that the uneven distribution of barrier height at the interface region. In addition, the mean value of Φ{sup ¯}{sub b0} and modified Richardson constant was determined to be 0.723 eV and 62.8 A/cm{sup 2}K{sup 2} from the slope and intercept of the ln(I{sub o}/T{sup 2}) – (qσ{sub 0}{sup 2}/2k{sup 2}T{sup 2}) versus q/kT plot, respectively. Finally, two electron trap centers were observed at the interface of Au/n-Hg{sub 3}In{sub 2}Te{sub 6} Schottky contact by means of deep level transient spectroscopy.« less

Multiple Diffusion Mechanisms Due to Nanostructuring in Crowded Environments

PubMed Central

Sanabria, Hugo; Kubota, Yoshihisa; Waxham, M. Neal

2007-01-01

One of the key questions regarding intracellular diffusion is how the environment affects molecular mobility. Mostly, intracellular diffusion has been described as hindered, and the physical reasons for this behavior are: immobile barriers, molecular crowding, and binding interactions with immobile or mobile molecules. Using results from multi-photon fluorescence correlation spectroscopy, we describe how immobile barriers and crowding agents affect translational mobility. To study the hindrance produced by immobile barriers, we used sol-gels (silica nanostructures) that consist of a continuous solid phase and aqueous phase in which fluorescently tagged molecules diffuse. In the case of molecular crowding, translational mobility was assessed in increasing concentrations of 500 kDa dextran solutions. Diffusion of fluorescent tracers in both sol-gels and dextran solutions shows clear evidence of anomalous subdiffusion. In addition, data from the autocorrelation function were analyzed using the maximum entropy method as adapted to fluorescence correlation spectroscopy data and compared with the standard model that incorporates anomalous diffusion. The maximum entropy method revealed evidence of different diffusion mechanisms that had not been revealed using the anomalous diffusion model. These mechanisms likely correspond to nanostructuring in crowded environments and to the relative dimensions of the crowding agent with respect to the tracer molecule. Analysis with the maximum entropy method also revealed information about the degree of heterogeneity in the environment as reported by the behavior of diffusive molecules. PMID:17040979

Intracellular tortuosity underlies slow cAMP diffusion in adult ventricular myocytes.

PubMed

Richards, Mark; Lomas, Oliver; Jalink, Kees; Ford, Kerrie L; Vaughan-Jones, Richard D; Lefkimmiatis, Konstantinos; Swietach, Pawel

2016-06-01

3',5'-Cyclic adenosine monophosphate (cAMP) signals in the heart are often confined to concentration microdomains shaped by cAMP diffusion and enzymatic degradation. While the importance of phosphodiesterases (degradative enzymes) in sculpting cAMP microdomains is well established in cardiomyocytes, less is known about cAMP diffusivity (DcAMP) and factors affecting it. Many earlier studies have reported fast diffusivity, which argues against sharply defined microdomains. [cAMP] dynamics in the cytoplasm of adult rat ventricular myocytes were imaged using a fourth generation genetically encoded FRET-based sensor. The [cAMP]-response to the addition and removal of isoproterenol (β-adrenoceptor agonist) quantified the rates of cAMP synthesis and degradation. To obtain a read out of DcAMP, a stable [cAMP] gradient was generated using a microfluidic device which delivered agonist to one half of the myocyte only. After accounting for phosphodiesterase activity, DcAMP was calculated to be 32 µm(2)/s; an order of magnitude lower than in water. Diffusivity was independent of the amount of cAMP produced. Saturating cAMP-binding sites with the analogue 6-Bnz-cAMP did not accelerate DcAMP, arguing against a role of buffering in restricting cAMP mobility. cAMP diffused at a comparable rate to chemically unrelated but similar sized molecules, arguing for a common physical cause of restricted diffusivity. Lower mitochondrial density and order in neonatal cardiac myocytes allowed for faster diffusion, demonstrating the importance of mitochondria as physical barriers to cAMP mobility. In adult cardiac myocytes, tortuosity due to physical barriers, notably mitochondria, restricts cAMP diffusion to levels that are more compatible with microdomain signalling. © The Author 2016. Published by Oxford University Press on behalf of the European Society of Cardiology.

Controlled Release of Antibiotics From Vitamin E-Loaded Silicone-Hydrogel Contact Lenses.

PubMed

Paradiso, Patrizia; Serro, Ana Paula; Saramago, Benilde; Colaço, Rogério; Chauhan, Anuj

2016-03-01

Symptoms of bacterial and fungal keratitis are typically treated through the frequent application of antibiotic and antifungal eye drops. The high frequency of half hourly or hourly eye drop administration required to treat these indications is tedious and could reduce compliance. Here, we combine in vitro experiments with a mathematical model to develop therapeutic soft contact lenses to cure keratitis by extended release of suitable drugs. We specifically focus on increasing the release duration of levofloxacin and chlorhexidine from 1-DAY ACUVUE(®) TrueEye™ and ACUVUE OASYS(®) contact lenses by incorporating vitamin E diffusion barriers. Results show that 20% of vitamin E loading in the contact lens increases the release duration of levofloxacin to 100 h and 50 h from 1-DAY ACUVUE(®) TrueEye™ and ACUVUE OASYS(®), respectively, which is a 3- and 6-fold increase, respectively, for the 2 lenses. For chlorhexidine, the increase is 2.5- and 10-fold, for the TrueEye™ and OASYS(®), respectively, to 130 h and 170 h. The mass of drug loaded in the lenses can be controlled to achieve a daily release comparable to the commonly prescribed eye drop therapy. The vitamin E-loaded lenses retain all critical properties for in vivo use. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Influence of Asymmetric Contact Form on Contact Resistance and Schottky Barrier, and Corresponding Applications of Diode.

PubMed

Zhao, Yudan; Xiao, Xiaoyang; Huo, Yujia; Wang, Yingcheng; Zhang, Tianfu; Jiang, Kaili; Wang, Jiaping; Fan, Shoushan; Li, Qunqing

2017-06-07

We have fabricated carbon nanotube and MoS 2 field-effect transistors with asymmetric contact forms of source-drain electrodes, from which we found the current directionality of the devices and different contact resistances under the two current directions. By designing various structures, we can conclude that the asymmetric electrical performance was caused by the difference in the effective Schottky barrier height (Φ SB ) caused by the different contact forms. A detailed temperature-dependent study was used to extract and compare the Φ SB for both contact forms of CNT and MoS 2 devices; we found that the Φ SB for the metal-on-semiconductor form was much lower than that of the semiconductor-on-metal form and is suitable for all p-type, n-type, or ambipolar semiconductors. This conclusion is meaningful with respect to the design and application of nanomaterial electronic devices. Additionally, using the difference in barrier height caused by the contact forms, we have also proposed and fabricated Schottky barrier diodes with a current ratio up to 10 4 ; rectifying circuits consisting of these diodes were able to work in a wide frequency range. This design avoided the use of complex chemical doping or heterojunction methods to achieve fundamental diodes that are relatively simple and use only a single material; these may be suitable for future application in nanoelectronic radio frequency or integrated circuits.

General Protein Diffusion Barriers create Compartments within Bacterial Cells

PubMed Central

Schlimpert, Susan; Klein, Eric A.; Briegel, Ariane; Hughes, Velocity; Kahnt, Jörg; Bolte, Kathrin; Maier, Uwe G.; Brun, Yves V.; Jensen, Grant J.; Gitai, Zemer; Thanbichler, Martin

2013-01-01

SUMMARY In eukaryotes, the differentiation of cellular extensions such as cilia or neuronal axons depends on the partitioning of proteins to distinct plasma membrane domains by specialized diffusion barriers. However, examples of this compartmentalization strategy are still missing for prokaryotes, although complex cellular architectures are widespread among this group of organisms. This study reveals the existence of a protein-mediated membrane diffusion barrier in the stalked bacterium Caulobacter crescentus. We show that the Caulobacter cell envelope is compartmentalized by macromolecular complexes that prevent the exchange of both membrane and soluble proteins between the polar stalk extension and the cell body. The barrier structures span the cross-sectional area of the stalk and comprise at least four proteins that assemble in a cell cycle-dependent manner. Their presence is critical for cellular fitness, as they minimize the effective cell volume, allowing faster adaptation to environmental changes that require de novo synthesis of envelope proteins. PMID:23201141

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

PubMed

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.

Solid state oxygen sensor

DOEpatents

Garzon, Fernando H.; Chung, Brandon W.; Raistrick, Ian D.; Brosha, Eric L.

1996-01-01

Solid state oxygen sensors are provided with a yttria-doped zirconia as an electrolyte and use the electrochemical oxygen pumping of the zirconia electrolyte. A linear relationship between oxygen concentration and the voltage arising at a current plateau occurs when oxygen accessing the electrolyte is limited by a diffusion barrier. A diffusion barrier is formed herein with a mixed electronic and oxygen ion-conducting membrane of lanthanum-containing perovskite or zirconia-containing fluorite. A heater may be used to maintain an adequate oxygen diffusion coefficient in the mixed conducting layer.

Crystalline silicon photovoltaics via low-temperature TiO 2/Si and PEDOT/Si heterojunctions

NASA Astrophysics Data System (ADS)

Nagamatsu, Ken Alfred

The most important goals in developing solar cell technology are to achieve high power conversion efficiencies and lower costs of manufacturing. Solar cells based on crystalline silicon currently dominate the market because they can achieve high efficiency. However, conventional p-n junction solar cells require high-temperature diffusions of dopants, and conventional heterojunction cells based on amorphous silicon require plasma-enhanced deposition, both of which can add manufacturing costs. This dissertation investigates an alternative approach, which is to form crystalline-silicon-based solar cells using heterojunctions with materials that are easily deposited at low temperatures and without plasma enhancement, such as organic semiconductors and metal oxides. We demonstrate a heterojunction between the organic polymer, poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT), and crystalline silicon, which acts as a hole-selective contact and an alternative to a diffused p-n junction. We also present the use of a heterojunction between titanium dioxide and crystalline silicon as a passivating electron-selective contact. The Si/TiO2 heterojunction is demonstrated for the first time as a back-surface field in a crystalline silicon solar cell, and is incorporated into a PEDOT/Si device. The resulting PEDOT/Si/TiO2 solar cell represents an alternative to conventional silicon solar cells that rely on thermally-diffused junctions or plasma-deposited heterojunctions. Finally, we investigate the merits of using conductive networks of silver nanowires to enhance the photovoltaic performance of PEDOT/Si solar cells. The investigation of these materials and devices contributes to the growing body of work regarding crystalline silicon solar cells made with selective contacts.

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

PubMed

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.

Laser process and corresponding structures for fabrication of solar cells with shunt prevention dielectric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harley, Gabriel; Smith, David D.; Dennis, Tim

Contact holes of solar cells are formed by laser ablation to accommodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thicknesses.

ICP-MS measurement of iodine diffusion in IG-110 graphite for HTGR/VHTR

NASA Astrophysics Data System (ADS)

Carter, L. M.; Brockman, J. D.; Robertson, J. D.; Loyalka, S. K.

2016-05-01

Graphite functions as a structural material and as a barrier to fission product release in HTGR/VHTR designs, and elucidation of transport parameters for fission products in reactor-grade graphite is thus required for reactor source terms calculations. We measured iodine diffusion in spheres of IG-110 graphite using a release method based on Fickain diffusion kinetics. Two sources of iodine were loaded into the graphite spheres; molecular iodine (I2) and cesium iodide (CsI). Measurements of the diffusion coefficient were made over a temperature range of 873-1293 K. We have obtained the following Arrhenius expressions for iodine diffusion:DI , CsI infused =(6 ×10-12 2/s) exp(30,000 J/mol RT) And,DI , I2 infused =(4 ×10-10 m2/s) exp(-11,000 J/mol RT ) The results indicate that iodine diffusion in IG-110 graphite is not well-described by Fickan diffusion kinetics. To our knowledge, these are the first measurements of iodine diffusion in IG-110 graphite.

Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes.

PubMed

Savoie, Brett M; Webb, Michael A; Miller, Thomas F

2017-02-02

Solid polymer electrolytes (SPEs) have the potential to increase both the energy density and stability of lithium-based batteries, but low Li + conductivity remains a barrier to technological viability. SPEs are designed to maximize Li + diffusivity relative to the anion while maintaining sufficient salt solubility. It is thus remarkable that poly(ethylene oxide) (PEO), the most widely used SPE, exhibits Li + diffusivity that is an order of magnitude smaller than that of typical counterions at moderate salt concentrations. We show that Lewis-basic polymers like PEO favor slow cation and rapid anion diffusion, while this relationship can be reversed in Lewis-acidic polymers. Using molecular dynamics, polyboranes are identified that achieve up to 10-fold increases in Li + diffusivities and significant decreases in anion diffusivities, relative to PEO in the dilute-ion regime. These results illustrate a general principle for increasing Li + diffusivity and transference number with chemistries that exhibit weaker cation and stronger anion coordination.

Exploring Homeowner Diffusion of Yard Care Knowledge as One Step Toward Improving Urban Ecosystems

NASA Astrophysics Data System (ADS)

Martini, Nicholas F.; Nelson, Kristen C.; Dahmus, Maria E.

2014-11-01

Urban ecosystems are increasingly influenced by residential yard care decisions. This had led researchers to focus on homeowner education programs when it comes to yard care. Typically, the success of programs designed to influence yard care is based on whether the target subject changes his or her behavior in a more environmentally conscious manner. This threshold, however, fails to consider if individuals share this information with their friends and neighbors, thus having a possible spillover effect. In this paper, we focus on the transmission of new lawn management information among neighbors and consider (1) if individuals discuss information they learned in a short-term educational program, (2) what factors are associated with diffusion, (3) what information individuals share, and (4) what barriers to transmission exist. In the Minneapolis-St. Paul metropolitan area, we used data from a mailed survey, group discussions, and mailed information exchanges. Results indicate that best management practices for yards can diffuse through the neighborhood (approximately 34 % shared information with their neighbors in a one-month period). In addition, factors such as (1) attending a group discussion, 2) individual social connectedness, (3) length of home ownership, and (4) the presence of children in the household were found to be positively related to increased sharing of information. Also, for lawns, the content of information shared tended to be about increasing grass height and reducing fertilizer applications. Finally, we find barriers to sharing ideas based on spatial, temporal, or perception factors but overcoming some of these barriers is possible.

Materials science and integration bases for fabrication of (BaxSr1-x)TiO3 thin film capacitors with layered Cu-based electrodes

NASA Astrophysics Data System (ADS)

Fan, W.; Kabius, B.; Hiller, J. M.; Saha, S.; Carlisle, J. A.; Auciello, O.; Chang, R. P. H.; Ramesh, R.

2003-11-01

The synthesis and fundamental material properties of layered TiAl/Cu/Ta electrodes were investigated to achieve the integration of Cu electrodes with high-dielectric constant (κ) oxide thin films for application to the fabrication of high-frequency devices. The Ta layer is an excellent diffusion barrier to inhibit deleterious Cu diffusion into the Si substrate, while the TiAl layer provides an excellent barrier against oxygen diffusion into the Cu layer to inhibit Cu oxidation during the growth of the high-κ layer in an oxygen atmosphere. Polycrystalline (BaxSr1-x)TiO3 (BST) thin films were grown on the Cu-based bottom electrode by rf magnetron sputtering at temperatures in the range 400-600 °C in oxygen, to investigate the performance of BST/Cu-based capacitors. Characterization of the Cu-based layered structure using surface analytical methods showed that two amorphous oxide layers were formed on both sides of the TiAl barrier, such that the oxide layer on the free surface of the TiAl layer correlates with TiAlOx, while the oxide layer at the TiAl/Cu interface is an Al2O3-rich layer. This double amorphous barrier layer structure effectively prevents oxygen penetration towards the underlying Cu and Ta layers. The TiAlOx interfacial layer, which has a relatively low dielectric constant compared with BST, reduced the total capacitance of the BST thin film capacitors. In addition, the layered electrode-oxide interface roughening observed during the growth of BST films at high temperature, due to copper grain growth, resulted in large dielectric loss on the fabricated BST capacitors. These problems were solved by growing the BST layer at 450 °C followed by a rapid thermal annealing at 700 °C. This process significantly reduced the thickness of the TiAlOx layer and interface roughness resulting in BST capacitors exhibiting properties suitable for the fabrication of high-performance high-frequency devices. In summary, relatively high dielectric constant (280), low dielectric loss (0.007), and low leakage current (<2×10-8 A/cm2 at 100 kV/cm) were achieved for BST thin film capacitors with Cu-based electrodes.

Correlation between the electrical properties and the interfacial microstructures of TiAl-based ohmic contacts to p-type 4H-SiC

NASA Astrophysics Data System (ADS)

Tsukimoto, S.; Nitta, K.; Sakai, T.; Moriyama, M.; Murakami, Masanori

2004-05-01

In order to understand a mechanism of TiAl-based ohmic contact formation for p-type 4H-SiC, the electrical properties and microstructures of Ti/Al and Ni/Ti/Al contacts, which provided the specific contact resistances of approximately 2×10-5 Ω-cm2 and 7×10-5 Ω-cm2 after annealing at 1000°C and 800°C, respectively, were investigated using x-ray diffraction (XRD) and high-resolution transmission electron microscopy (HRTEM). Ternary Ti3SiC2 carbide layers were observed to grow on the SiC surfaces in both the Ti/Al and the Ni/Ti/Al contacts when the contacts yielded low resistance. The Ti3SiC2 carbide layers with hexagonal structures had an epitaxial orientation relationship with the 4H-SiC substrates. The (0001)-oriented terraces were observed periodically at the interfaces between the carbide layers and the SiC, and the terraces were atomically flat. We believed the Ti3SiC2 carbide layers primarily reduced the high Schottky barrier height at the contact metal/p-SiC interface down to about 0.3 eV, and, thus, low contact resistances were obtained for p-type TiAl-based ohmic contacts.

Characterization of MgO Based Tunnel Barriers in Graphene Based Spin Valve Devices

NASA Astrophysics Data System (ADS)

Avsar, Ahmet; Balakrishnan, Jayakumar; Koon, Gavin; Ho, Yuda; Patra, Ajit; Bae, Sukang; Hong, Byung-Hee; Özyilmaz, Barbaros

2012-02-01

The low spin orbit coupling and hyperfine interaction in graphene allows a high spin relaxation length even at room temperature [1]. The demonstration of comparable spin transport properties in CVD synthesized single layer and bilayer graphene with its exfoliated counterparts raised hopes for the realization of possible room temperature spintronic applications [2]. To improve the spin transport properties of CVD Graphene based spin valves further, contact induced spin relaxation should be reduced by creating pin-hole free tunneling barriers. In this presentation, we will compare MgO barriers deposited under different conditions towards establishing pin-hole free barriers. We will discuss the effect of the substrate smoothness on the formation of high quality tunnel barriers by studying growth on different substrates. [4pt] [1] N. Tombros, C. Jozsa, M. Popinciuc, H. T. Jonkman, and B. J. van Wees, Nature 448, 571-574 (2007) [0pt] [2] A. Avsar, T. Yang, S. Bae, J. Balakrishnan, F. Volmer, M. Jaiswal, Z. Yi, S. R. Ali, G. Guntherodt, B. H. Hong, B. Beschoten, B. Ozyilmaz, Nano Lett. 10.10.1021/nl200714q (2011)

Silicone adhesive matrix of verapamil hydrochloride to provide pH-independent sustained release.

PubMed

Tolia, Gaurav; Li, S Kevin

2014-02-01

Providing pH-independent oral release of weakly basic drugs with conventional matrix tablets can be challenging because of the pH-dependent solubility characteristics of the drugs and the changing pH environment along the gastrointestinal tract. The aim of the present study was to use a hydrophobic polymer to overcome the issue of pH-dependent release of weakly basic model drug verapamil hydrochloride from matrix tablets without the use of organic buffers in the matrix formulations. Silicone pressure-sensitive adhesive (PSA) polymer was evaluated because of its unique properties of low surface energy, hydrophobicity, low glass transition temperature, high electrical resistance, and barrier to hydrogen ion diffusion. Drug release, hydrogen ion diffusion, tablet contact angle, and internal tablet microenvironment pH with matrix tablets prepared using PSA were compared with those using water-insoluble ethyl cellulose (EC). Silicone PSA films showed higher resistance to hydrogen ion diffusion compared with EC films. Verapamil hydrochloride tablets prepared using silicone PSA showed higher hydrophobicity and lower water uptake than EC tablets. Silicone PSA tablets also showed pH-independent release of verapamil and decreased in dimensions during drug dissolution. By contrast, verapamil hydrochloride tablets prepared using EC did not achieve pH-independent release.

Diffusion barriers in modified air brazes

DOEpatents

Weil, Kenneth Scott; Hardy, John S; Kim, Jin Yong; Choi, Jung-Pyung

2013-04-23

A method for joining two ceramic parts, or a ceramic part and a metal part, and the joint formed thereby. The method provides two or more parts, a braze consisting of a mixture of copper oxide and silver, a diffusion barrier, and then heats the braze for a time and at a temperature sufficient to form the braze into a bond holding the two or more parts together. The diffusion barrier is an oxidizable metal that forms either a homogeneous component of the braze, a heterogeneous component of the braze, a separate layer bordering the braze, or combinations thereof. The oxidizable metal is selected from the group Al, Mg, Cr, Si, Ni, Co, Mn, Ti, Zr, Hf, Pt, Pd, Au, lanthanides, and combinations thereof.

Diffusion barriers in modified air brazes

DOEpatents

Weil, Kenneth Scott [Richland, WA; Hardy, John S [Richland, WA; Kim, Jin Yong [Richland, WA; Choi, Jung-Pyung [Richland, WA

2010-04-06

A method for joining two ceramic parts, or a ceramic part and a metal part, and the joint formed thereby. The method provides two or more parts, a braze consisting of a mixture of copper oxide and silver, a diffusion barrier, and then heats the braze for a time and at a temperature sufficient to form the braze into a bond holding the two or more parts together. The diffusion barrier is an oxidizable metal that forms either a homogeneous component of the braze, a heterogeneous component of the braze, a separate layer bordering the braze, or combinations thereof. The oxidizable metal is selected from the group Al, Mg, Cr, Si, Ni, Co, Mn, Ti, Zr, Hf, Pt, Pd, Au, lanthanides, and combinations thereof.

Tunnel barrier design in donor nanostructures defined by hydrogen-resist lithography

NASA Astrophysics Data System (ADS)

Pascher, Nikola; Hennel, Szymon; Mueller, Susanne; Fuhrer, Andreas

2016-08-01

A four-terminal donor quantum dot (QD) is used to characterize potential barriers between degenerately doped nanoscale contacts. The QD is fabricated by hydrogen-resist lithography on Si(001) in combination with n-type doping by phosphine. The four contacts have different separations (d = 9, 12, 16 and 29 nm) to the central 6 nm × 6 nm QD island, leading to different tunnel and capacitive coupling. Cryogenic transport measurements in the Coulomb-blockade (CB) regime are used to characterize these tunnel barriers. We find that field enhancement near the apex of narrow dopant leads is an important effect that influences both barrier breakdown and the magnitude of the tunnel current in the CB transport regime. From CB-spectroscopy measurements, we extract the mutual capacitances between the QD and the four contacts, which scale inversely with the contact separation d. The capacitances are in excellent agreement with numerical values calculated from the pattern geometry in the hydrogen resist. Furthermore, we show that by engineering the source-drain tunnel barriers to be asymmetric, we obtain a much simpler excited-state spectrum of the QD, which can be directly linked to the orbital single-particle spectrum.

The Ponseti method in Latin America: initial impact and barriers to its diffusion and implementation.

PubMed

Boardman, Allison; Jayawardena, Asitha; Oprescu, Florin; Cook, Thomas; Morcuende, Jose A

2011-01-01

The Ponseti method for correcting clubfoot is a safe, effective, and minimally invasive treatment that has recently been implemented in Latin America. This study evaluates the initial impact and unique barriers to the diffusion of the Ponseti method throughout this region. Structured interviews were conducted with 30 physicians practicing the Ponseti method in three socioeconomically diverse countries: Chile, Peru and Guatemala. Since learning the Ponseti method, these physicians have treated approximately 1,740 clubfoot patients, with an estimated 1,705 (98%) patients treated using the Ponseti method, and 35 (2%) patients treated using surgical techniques. The barriers were classified into the following themes: physician education, health care system of the country, culture and beliefs of patients, physical distance and transport, financial barriers for patients, and parental compliance with the method. The results yielded several common barriers throughout Latin America including lack of physician education, physical distance to the treatment centers, and financial barriers for patients. Information from this study can be used to inform, and to implement and evaluate specific strategies to improve the diffusion of the Ponseti method for treating clubfoot throughout Latin America.

Interfacial strain effects on lithium diffusion pathways in the spinel solid electrolyte Li-doped MgAl2O4

NASA Astrophysics Data System (ADS)

O'Rourke, Conn; Morgan, Benjamin J.

2018-04-01

The (Li,Al)-codoped magnesium spinel (LixMg1 -2 xAl2 +xO4 ) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. The spinel structure means that interfaces with spinel electrodes, such as LiyMn2O4 and Li4 +3 zTi5O12 , may be lattice matched, with potentially low interfacial resistances. Small lattice parameter differences across a lattice-matched interface are unavoidable, causing residual epitaxial strain. This strain potentially modifies lithium diffusion near the electrolyte-electrode interface, contributing to interfacial resistance. Here, we report a density functional theory study of strain effects on lithium diffusion pathways for (Li,Al)-codoped magnesium spinel, for xLi=0.25 and xLi=0.5 . We have calculated diffusion profiles for the unstrained materials, and for isotropic and biaxial tensile strains of up to 6 % , corresponding to {100 } epitaxial interfaces with LiyMn2O4 and Li4 +3 zTi5O12 . We find that isotropic tensile strain reduces lithium diffusion barriers by as much as 0.32 eV , with typical barriers reduced by ˜0.1 eV. This effect is associated with increased volumes of transitional octahedral sites, and broadly follows qualitative changes in local electrostatic potentials. For biaxial (epitaxial) strain, which more closely approximates strain at a lattice-matched electrolyte-electrode interface, changes in octahedral site volumes and in lithium diffusion barriers are much smaller than under isotropic strain. Typical barriers are reduced by only ˜0.05 eV. Individual effects, however, depend on the pathway considered and the relative strain orientation. These results predict that isotropic strain strongly affects ionic conductivities in (Li,Al)-codoped magnesium spinel electrolytes, and that tensile strain is a potential route to enhanced lithium transport. For a lattice-matched interface with candidate spinel-structured electrodes, however, epitaxial strain has a small, but complex, effect on lithium diffusion barriers.

Molecular dynamics simulations of substitutional diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Xiaowang; Jones, Reese E.; Gruber, Jacob

2016-12-18

In atomistic simulations, diffusion energy barriers are usually calculated for each atomic jump path using a nudged elastic band method. Practical materials often involve thousands of distinct atomic jump paths that are not known a priori. Hence, it is often preferred to determine an overall diffusion energy barrier and an overall pre-exponential factor from the Arrhenius equation constructed through molecular dynamics simulations of mean square displacement of the diffusion species at different temperatures. This approach has been well established for interstitial diffusion, but not for substitutional diffusion at the same confidence. Using In 0.1 Ga 0.9 N as an example,more » we have identified conditions where molecular dynamics simulations can be used to calculate highly converged Arrhenius plots for substitutional alloys. As a result, this may enable many complex diffusion problems to be easily and reliably studied in the future using molecular dynamics, provided that moderate computing resources are available.« less

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Temperature- and composition-dependent hydrogen diffusivity in palladium from statistically-averaged molecular dynamics

DOE PAGES

Zhou, Xiaowang; Heo, Tae Wook; Wood, Brandon C.; ...

2018-03-09

Solid-state hydrogen storage materials undergo complex phase transformations whose kinetics is often limited by hydrogen diffusion. Among metal hydrides, palladium hydride undergoes a diffusional phase transformation upon hydrogen uptake, during which the hydrogen diffusivity varies with hydrogen composition and temperature. Here we perform robust statistically-averaged molecular dynamics simulations to obtain a well-converged analytical expression for hydrogen diffusivity in bulk palladium that is valid throughout all stages of the reaction. Our studies confirm significant dependence of the diffusivity on composition and temperature that elucidate key trends in the available experimental measurements. Whereas at low hydrogen compositions, a single process dominates, atmore » high hydrogen compositions, diffusion is found to exhibit behavior consistent with multiple hopping barriers. Further analysis, supported by nudged elastic band computations, suggests that the multi-barrier diffusion can be interpreted as two distinct mechanisms corresponding to hydrogen-rich and hydrogen-poor local environments.« less

Space water electrolysis: Space Station through advance missions

NASA Technical Reports Server (NTRS)

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.

Composites of cationic nanofibrillated cellulose and layered silicates: water vapor barrier and mechanical properties.

PubMed

Ho, Thao T T; Zimmermann, Tanja; Ohr, Steffen; Caseri, Walter R

2012-09-26

Composites of trimethylammonium-modified nanofibrillated cellulose and layered silicates (TMA-NFC/LS) were prepared by high-shear homogenization followed by pressure filtration and vacuum hot-pressing, which gave rise to particularly homogeneous dispersion of the silicate particles. Thirteen different clays and micas were employed. Water vapor barrier and mechanical properties (tensile strength, E-modulus, strain at break) of the composite films were investigated, considering the effects of layered silicate types and their concentration (in the range of 0 to 85 wt %). Good interactions between TMA-NFC and LS were obtained due to electrostatic attraction between cationic fibrils and anionic silicate layers, and even favored by high-shear homogenization process. Furthermore, oriented TMA-NFC/LS composite structure was achieved. Layered silicates exerted a pronounced influence on the water vapor barrier and mechanical properties; however, there was no common trend reflecting their types. The transport of water molecules through TMA-NFC/LS composites was studied considering both diffusion and adsorption mechanisms. As a result, diffusion pathways were proposed based on two new and one well-known models: the "native network", "covered fiber composite", and "fiber-brick composite" models. Importantly, it was found that the insertion of layered silicate particles did not improve automatically the barrier properties as indicated by the commonly used "fiber-brick composite" model. Mica R120 at a 50 wt % loading in composites with TMA-NFC matrix showed 30-fold improved water vapor permeability and 5-fold higher E-modulus compared to commercially used base paper.

Friendly-Sharing: Improving the Performance of City Sensoring through Contact-Based Messaging Applications.

PubMed

Herrera-Tapia, Jorge; Hernández-Orallo, Enrique; Tomás, Andrés; Manzoni, Pietro; Tavares Calafate, Carlos; Cano, Juan-Carlos

2016-09-18

Regular citizens equipped with smart devices are being increasingly used as "sensors" by Smart Cities applications. Using contacts among users, data in the form of messages is obtained and shared. Contact-based messaging applications are based on establishing a short-range communication directly between mobile devices, and on storing the messages in these devices for subsequent delivery to cloud-based services. An effective way to increase the number of messages that can be shared is to increase the contact duration. We thus introduce the Friendly-Sharing diffusion approach, where, during a contact, the users are aware of the time needed to interchange the messages stored in their buffers, and they can thus decide to wait more time in order to increase the message sharing probability. The performance of this approach is anyway closely related to the size of the buffer in the device. We therefore compare various policies either for the message selection at forwarding times and for message dropping when the buffer is full. We evaluate our proposal with a modified version of the Opportunistic Networking Environment (ONE) simulator and using real human mobility traces.

Anomalous diffusion of brain metabolites evidenced by diffusion-weighted magnetic resonance spectroscopy in vivo

PubMed Central

Marchadour, Charlotte; Brouillet, Emmanuel; Hantraye, Philippe; Lebon, Vincent; Valette, Julien

2012-01-01

Translational displacement of molecules within cells is a key process in cellular biology. Molecular motion potentially depends on many factors, including active transport, cytosol viscosity and molecular crowding, tortuosity resulting from cytoskeleton and organelles, and restriction barriers. However, the relative contribution of these factors to molecular motion in the cytoplasm remains poorly understood. In this work, we designed an original diffusion-weighted magnetic resonance spectroscopy strategy to probe molecular motion at subcellular scales in vivo. This led to the first observation of anomalous diffusion, that is, dependence of the apparent diffusion coefficient (ADC) on the diffusion time, for endogenous intracellular metabolites in the brain. The observed increase of the ADC at short diffusion time yields evidence that metabolite motion is characteristic of hindered random diffusion rather than active transport, for time scales up to the dozen milliseconds. Armed with this knowledge, data modeling based on geometrically constrained diffusion was performed. Results suggest that metabolite diffusion occurs in a low-viscosity cytosol hindered by ∼2-μm structures, which is consistent with known intracellular organization. PMID:22929443

Kinetic Monte Carlo Simulations of Diffusion in Environmental Barrier Coating Materials

NASA Technical Reports Server (NTRS)

Good, Brian

2017-01-01

Ceramic Matrix Components (CMC) components for use in turbine engines offer a number of advantages compared with current practice. However, such components are subject to degradation through a variety of mechanisms. In particular, in the hot environment inside a turbine in operation a considerable amount of water vapor is present, and this can lead to corrosion and recession. Environmental Barrier Coating (EBC) systems that limit the amount of oxygen and water reaching the component are required to reduce this degradation and extend component life. A number of silicate-based materials are under consideration for use in such coating systems, including Yttterbium and Yttrium di- and monosilicates. In this work, we present results of kinetic Monte Carlo computer simulations of oxygen diffusion in Yttrium disilicate, and compare with previous work on Yttterbium disilicate. Coatings may also exhibit cracking, and the cracks can provide a direct path for oxygen to reach the component. There is typically a bond coat between the coating and component surface, but the bond coat material is generally chosen for properties other than low oxygen diffusivity. Nevertheless, the degree to which the bond coat can inhibit oxygen diffusion is of interest, as it may form the final defense against oxygen impingement on the component. We have therefore performed similar simulations of oxygen diffusion through HfSiO4, a proposed bond coat material.

Diffusion barrier properties of single- and multilayered quasi-amorphous tantalum nitride thin films against copper penetration

NASA Astrophysics Data System (ADS)

Chen, G. S.; Chen, S. T.

2000-06-01

Tantalum-related thin films containing different amounts of nitrogen are sputter deposited at different argon-to-nitrogen flow rate ratios on (100) silicon substrates. Using x-ray diffractometry, transmission electron microscopy, composition and resistivity analyses, and bending-beam stress measurement technique, this work examines the impact of varying the nitrogen flow rate, particularly on the crystal structure, composition, resistivity, and residual intrinsic stress of the deposited Ta2N thin films. With an adequate amount of controlled, reactive nitrogen in the sputtering gas, thin films of the tantalum nitride of nominal formula Ta2N are predominantly amorphous and can exist over a range of nitrogen concentrations slightly deviated from stoichiometry. The single-layered quasi-amorphous Ta2N (a-Ta2N) thin films yield intrinsic compressive stresses in the range 3-5 GPa. In addition, the use of the 40-nm-thick a-Ta2N thin films with different nitrogen atomic concentrations (33% and 36%) and layering designs as diffusion barriers between silicon and copper are also evaluated. When subjected to high-temperature annealing, the single-layered a-Ta2N barrier layers degrade primarily by an amorphous-to-crystalline transition of the barrier layers. Crystallization of the single-layered stoichiometric a-Ta2N (Ta67N33) diffusion barriers occurs at temperatures as low as 450 °C. Doing so allows copper to preferentially penetrate through the grain boundaries or thermal-induced microcracks of the crystallized barriers and react with silicon, sequentially forming {111}-facetted pyramidal Cu3Si precipitates and TaSi2 Overdoping nitrogen into the amorphous matrix can dramatically increase the crystallization temperature to 600 °C. This temperature increase slows down the inward diffusion of copper and delays the formation of both silicides. The nitrogen overdoped Ta2N (Ta64N36) diffusion barriers can thus be significantly enhanced so as to yield a failure temperature 100 °C greater than that of the Ta67N33 diffusion barriers. Moreover, multilayered films, formed by alternately stacking the Ta67N33 and Ta64N36 layers with an optimized bilayer thickness (λ) of 10 nm, can dramatically reduce the intrinsic compressive stress to only 0.7 GPa and undergo high-temperature annealing without crystallization. Therefore, the Ta67N33/Ta64N36 multilayered films exhibit a much better barrier performance than the highly crystallization-resistant Ta64N36 single-layered films.

Threshold-based epidemic dynamics in systems with memory

NASA Astrophysics Data System (ADS)

Bodych, Marcin; Ganguly, Niloy; Krueger, Tyll; Mukherjee, Animesh; Siegmund-Schultze, Rainer; Sikdar, Sandipan

2016-11-01

In this article we analyze an epidemic dynamics model (SI) where we assume that there are k susceptible states, that is a node would require multiple (k) contacts before it gets infected. In specific, we provide a theoretical framework for studying diffusion rate in complete graphs and d-regular trees with extensions to dense random graphs. We observe that irrespective of the topology, the diffusion process could be divided into two distinct phases: i) the initial phase, where the diffusion process is slow, followed by ii) the residual phase where the diffusion rate increases manifold. In fact, the initial phase acts as an indicator for the total diffusion time in dense graphs. The most remarkable lesson from this investigation is that such a diffusion process could be controlled and even contained if acted upon within its initial phase.

Analysis of aging time dependent electrical characteristics of AuCu/n-Si/Ti Schottky type diode

NASA Astrophysics Data System (ADS)

Taser, Ahmet; Şenarslan, Elvan; Güzeldir, Betül; Saǧlam, Mustafa

2017-04-01

The purpose of this study is to fabricate AuCu/n-Si/Ti Schottky type diode and determine the effects of aging time on the diode parameters such as ideality factor, barrier height, series resistance, interface state density and rectification ratio. Gold and copper ratios in the gold-copper alloy used in making the Schottky contact were taken as equal. Schottky barrier contact using AuCu alloy and ohmic contact using Ti metal were made on n-Si by thermal evaporation. The electrical characterization of the AuCu/n-Si/Ti diode was made immediately based on the aging time at room temperature in dark conditions. The I-V measurements were also repeated 1, 7, 15, 30 and 90 days after fabrication of the diode in order to observe the effect of the aging time. The determined values of the ideality factor are in the range of 1,21 (for immediately)-1,075 (for 90 days). In the same way, values of the barrier height are also in the range of 0,566 eV (for immediately)-0,584 eV (for 90 days). From the I-V characteristics, it is seen that the diode appears to have a good rectification character.

Current-voltage characteristics of the semiconductor nanowires under the metal-semiconductor-metal structure

NASA Astrophysics Data System (ADS)

Wen, Jing; Zhang, Xitian; Gao, Hong; Wang, Mingjiao

2013-12-01

We present a method to calculate the I-V characteristics of semiconductor nanowires under the metal-semiconductor-metal (MSM) structure. The carrier concentration as an important parameter is introduced into the expression of the current. The subband structure of the nanowire has been considered for associating it with the position of the Fermi level and circumventing the uncertainties of the contact areas in the contacts. The tunneling and thermionic emission currents in the two Schottky barriers at the two metal-semiconductor contacts are discussed. We find that the two barriers have different influences on the I-V characteristics of the MSM structure, one of which under the forward bias plays the role of threshold voltage if its barrier height is large and the applied voltage is small, and the other under the reverse bias controls the shapes of I-V curves. Our calculations show that the shapes of the I-V curves for the MSM structure are mainly determined by the barrier heights of the contacts and the carrier concentration. The nearly identical I-V characteristics can be obtained by using different values of the barrier heights and carrier concentration, which means that the contact type conversion can be ascribed not only to the changes of the barrier heights but also that of the carrier concentration. We also discuss the mechanisms of the ohmic-Schottky conversions and clarify the ambiguity in the literature. The possibility about the variation of the carrier concentration under the applied fields has been confirmed by experimental results.

Reconfigurable Diodes Based on Vertical WSe2 Transistors with van der Waals Bonded Contacts.

PubMed

Avsar, Ahmet; Marinov, Kolyo; Marin, Enrique Gonzalez; Iannaccone, Giuseppe; Watanabe, Kenji; Taniguchi, Takashi; Fiori, Gianluca; Kis, Andras

2018-05-01

New device concepts can increase the functionality of scaled electronic devices, with reconfigurable diodes allowing the design of more compact logic gates being one of the examples. In recent years, there has been significant interest in creating reconfigurable diodes based on ultrathin transition metal dichalcogenide crystals due to their unique combination of gate-tunable charge carriers, high mobility, and sizeable band gap. Thanks to their large surface areas, these devices are constructed under planar geometry and the device characteristics are controlled by electrostatic gating through rather complex two independent local gates or ionic-liquid gating. In this work, similar reconfigurable diode action is demonstrated in a WSe 2 transistor by only utilizing van der Waals bonded graphene and Co/h-BN contacts. Toward this, first the charge injection efficiencies into WSe 2 by graphene and Co/h-BN contacts are characterized. While Co/h-BN contact results in nearly Schottky-barrier-free charge injection, graphene/WSe 2 interface has an average barrier height of ≈80 meV. By taking the advantage of the electrostatic transparency of graphene and the different work-function values of graphene and Co/h-BN, vertical devices are constructed where different gate-tunable diode actions are demonstrated. This architecture reveals the opportunities for exploring new device concepts. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Metal-semiconductor barrier modulation for high photoresponse in transition metal dichalcogenide field effect transistors.

PubMed

Li, Hua-Min; Lee, Dae-Yeong; Choi, Min Sup; Qu, Deshun; Liu, Xiaochi; Ra, Chang-Ho; Yoo, Won Jong

2014-02-10

A gate-controlled metal-semiconductor barrier modulation and its effect on carrier transport were investigated in two-dimensional (2D) transition metal dichalcogenide (TMDC) field effect transistors (FETs). A strong photoresponse was observed in both unipolar MoS2 and ambipolar WSe2 FETs (i) at the high drain voltage due to a high electric field along the channel for separating photo-excited charge carriers and (ii) at the certain gate voltage due to the optimized barriers for the collection of photo-excited charge carriers at metal contacts. The effective barrier height between Ti/Au and TMDCs was estimated by a low temperature measurement. An ohmic contact behavior and drain-induced barrier lowering (DIBL) were clearly observed in MoS2 FET. In contrast, a Schottky-to-ohmic contact transition was observed in WSe2 FET as the gate voltage increases, due to the change of majority carrier transport from holes to electrons. The gate-dependent barrier modulation effectively controls the carrier transport, demonstrating its great potential in 2D TMDCs for electronic and optoelectronic applications.

Sub 20 meV Schottky barriers in metal/MoTe2 junctions

NASA Astrophysics Data System (ADS)

Townsend, Nicola J.; Amit, Iddo; Craciun, Monica F.; Russo, Saverio

2018-04-01

The newly emerging class of atomically-thin materials has shown a high potential for the realisation of novel electronic and optoelectronic components. Amongst this family, semiconducting transition metal dichalcogenides (TMDCs) are of particular interest. While their band gaps are compatible with those of conventional solid state devices, they present a wide range of exciting new properties that is bound to become a crucial ingredient in the future of electronics. To utilise these properties for the prospect of electronics in general, and long-wavelength-based photodetectors in particular, the Schottky barriers formed upon contact with a metal and the contact resistance that arises at these interfaces have to be measured and controlled. We present experimental evidence for the formation of Schottky barriers as low as 10 meV between MoTe2 and metal electrodes. By varying the electrode work functions, we demonstrate that Fermi level pinning due to metal induced gap states at the interfaces occurs at 0.14 eV above the valence band maximum. In this configuration, thermionic emission is observed for the first time at temperatures between 40 K and 75 K. Finally, we discuss the ability to tune the barrier height using a gate electrode.

Biomass drying in a pulsed fluidized bed without inert bed particles

DOE PAGES

Jia, Dening; Bi, Xiaotao; Lim, C. Jim; ...

2016-08-29

Batch drying was performed in the pulsed fluidized bed with various species of biomass particles as an indicator of gas–solid contact efficiency and mass transfer rate under different operating conditions including pulsation duty cycle and particle size distribution. The fluidization of cohesive biomass particles benefited from the shorter opening time of pulsed gas flow and increased peak pressure drop. The presence of fines enhanced gas–solid contact of large and irregular biomass particles, as well as the mass transfer efficiency. A drying model based on two-phase theory was proposed, from which effective diffusivity was calculated for various gas flow rates, temperaturemore » and pulsation frequency. Intricate relationship was discovered between pulsation frequency and effective diffusivity, as mass transfer was deeply connected with the hydrodynamics. Effective diffusivity was also found to be proportional to gas flow rate and drying temperature. In conclusion, operating near the natural frequency of the system also favored drying and mass transfer.« less

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

PubMed Central

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

Cell Based Metabolic Barriers to Glucose Diffusion: Macrophages and Continuous Glucose Monitoring

PubMed Central

Klueh, Ulrike; Frailey, Jackman; Qiao, Yi; Antar, Omar; Kreutzer, Donald L.

2014-01-01

It is assumed that MQ are central to glucose sensor bio-fouling and therefore have a major negative impact on continuous glucose monitoring (CGM) performance in vivo. However to our knowledge there is no data in the literature to directly support or refute this assumption. Since glucose and oxygen (O2) are key to glucose sensor function in vivo, understanding and controlling glucose and O2 metabolic activity of MQ is likely key to successful glucose sensor performance. We hypothesized that the accumulation of MQ at the glucose sensor-tissue interface will act as “Cell Based Metabolic Barriers” (CBMB) to glucose diffusing from the interstitial tissue compartment to the implanted glucose sensor and as such creating an artificially low sensor output, thereby compromising sensor function and CGM. Our studies demonstrated that 1) direct injections of MQ at in vivo sensor implantation sites dramatically decreased sensor output (measured in nA), 2) addition of MQ to glucose sensors in vitro resulted in a rapid and dramatic fall in sensor output and 3) lymphocytes did not affect sensor function in vitro or in vivo. These data support our hypothesis that MQ can act as metabolic barriers to glucose and O2 diffusion in vivo and in vitro. PMID:24461328

Microvillar Ca++ signaling: a new view of an old problem.

PubMed

Lange, K

1999-07-01

Proceeding from the recent finding that the main components of the Ca++ signal pathway are located in small membrane protrusions on the surface of differentiated cells, called microvilli, a novel concept of cellular Ca++ signaling was developed. The main features of this concept can be summarized as follows: Microvilli are formed on the cell surface of differentiating or resting cells from exocytic membrane domains, growing out from the cell surface by elongation of an internal bundle of actin filaments. The microvillar tip membranes contain all functional important proteins synthesized such as ion channels and transporters for energy-providing substrates and structural components, which are, in rapidly growing undifferentiated cells, distributed over the whole cell surface by lateral diffusion. The microvillar shaft structure, a bundle of actin filaments, forms a dense cytoskeletal matrix tightly covered by the microvillar lipid membrane and represents an effective diffusion barrier separating the microvillar tip compartment (entrance compartment) from the cytoplasm. This diffusion barrier prevents the passage of low molecular components such as Ca++ glucose and other relevant substrates from the entrance compartment into the cytoplasm. The effectiveness of the actin-based diffusion barrier is modulated by various signal pathways and effectors, most importantly, by the actin-depolymerizing/reorganizing activity of the phospholipase C (PLC)-coupled Ca++ signaling. Moreover, the microvillar bundle of actin filaments plays a dual role in Ca++ signaling. It combines the function of a diffusion barrier, preventing Ca++ influx into the resting cell, with that of a high-affinity, ATP-dependent, and IP3-sensitive Ca++ store. Activation of Ca++ signaling via PLC-coupled receptors simultaneously empties Ca++ stores and activates the influx of external Ca++. The presented concept of Ca++ signaling is compatible with all established data on Ca++ signaling. Properties of Ca++ signaling, that could not be reconciled with the basic principles of the current hypothesis, are intrinsic properties of the new concept. Quantal Ca++ release, Ca(++)-induced Ca++ release (CICR), the coupling phenomen between the filling state of the Ca++ store and the activity of the Ca++ influx pathway, as well as the various yet unexplained complex kinetics of Ca++ uptake and release can be explained on a common mechanistic basis.

Image-Based Measurement of H2O2 Reaction-Diffusion in Wounded Zebrafish Larvae.

PubMed

Jelcic, Mark; Enyedi, Balázs; Xavier, João B; Niethammer, Philipp

2017-05-09

Epithelial injury induces rapid recruitment of antimicrobial leukocytes to the wound site. In zebrafish larvae, activation of the epithelial NADPH oxidase Duox at the wound margin is required early during this response. Before injury, leukocytes are near the vascular region, that is, ∼100-300 μm away from the injury site. How Duox establishes long-range signaling to leukocytes is unclear. We conceived that extracellular hydrogen peroxide (H 2 O 2 ) generated by Duox diffuses through the tissue to directly regulate chemotactic signaling in these cells. But before it can oxidize cellular proteins, H 2 O 2 must get past the antioxidant barriers that protect the cellular proteome. To test whether, or on which length scales this occurs during physiological wound signaling, we developed a computational method based on reaction-diffusion principles that infers H 2 O 2 degradation rates from intravital H 2 O 2 -biosensor imaging data. Our results indicate that at high tissue H 2 O 2 levels the peroxiredoxin-thioredoxin antioxidant chain becomes overwhelmed, and H 2 O 2 degradation stalls or ceases. Although the wound H 2 O 2 gradient reaches deep into the tissue, it likely overcomes antioxidant barriers only within ∼30 μm of the wound margin. Thus, Duox-mediated long-range signaling may require other spatial relay mechanisms besides extracellular H 2 O 2 diffusion. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces

NASA Astrophysics Data System (ADS)

Hossain, Md I.; Maksud, M.; Palapati, N. K. R.; Subramanian, A.; Atulasimha, J.; Bandyopadhyay, S.

2016-07-01

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

Super-giant magnetoresistance at room-temperature in copper nanowires due to magnetic field modulation of potential barrier heights at nanowire-contact interfaces.

PubMed

Hossain, Md I; Maksud, M; Palapati, N K R; Subramanian, A; Atulasimha, J; Bandyopadhyay, S

2016-07-29

We have observed a super-giant (∼10 000 000%) negative magnetoresistance at 39 mT field in Cu nanowires contacted with Au contact pads. In these nanowires, potential barriers form at the two Cu/Au interfaces because of Cu oxidation that results in an ultrathin copper oxide layer forming between Cu and Au. Current flows when electrons tunnel through, and/or thermionically emit over, these barriers. A magnetic field applied transverse to the direction of current flow along the wire deflects electrons toward one edge of the wire because of the Lorentz force, causing electron accumulation at that edge and depletion at the other. This lowers the potential barrier at the accumulated edge and raises it at the depleted edge, causing a super-giant magnetoresistance at room temperature.

Diffusion of multiwall carbon nanotubes (MWCNTs) through a high density polyethylene (HDPE) geomembrane.

PubMed

Saheli, P T; Rowe, R K; Petersen, E J; O'Carroll, D M

2017-05-01

The new applications for carbon nanotubes (CNTs) in various fields and consequently their greater production volume have increased their potential release to the environment. Landfills are one of the major locations where carbon nanotubes are expected to be disposed and it is important to ensure that they can limit the release of CNTs. Diffusion of multiwall carbon nanotubes (MWCNTs) dispersed in an aqueous media through a high-density polyethylene (HDPE) geomembrane (as a part of the landfill barrier system) was examined. Based on the laboratory tests, the permeation coefficient was estimated to be less than 5.1×10 -15 m 2 /s. The potential performance of a HDPE geomembrane and geosynthetic clay liner (GCL) as parts of a composite liner in containing MWCNTs was modelled for six different scenarios. The results suggest that the low value of permeation coefficient of an HDPE geomembrane makes it an effective diffusive barrier for MWCNTs and by keeping the geomembrane defects to minimum during the construction (e.g., number of holes and length of wrinkles) a composite liner commonly used in municipal solid waste landfills will effectively contain MWCNTs.

Effects of sodium and potassium on the photovoltaic performance of CIGS solar cells

DOE PAGES

Raguse, John M.; Muzzillo, Christopher P.; Sites, James R.; ...

2016-11-17

Here, the deliberate introduction of K and Na into Cu(In, Ga)Se 2 (CIGS) absorbers was investigated by varying a combination of an SiO 2 diffusion barrier, coevaporation of KF with the CIGS absorber, and a KF postdeposition treatment (PDT). Devices made with no diffusion barrier and KF coevaporation treatment exhibited the highest photovoltaic conversion efficiency with the smallest overall distribution in key current density-voltage (J-V) performance metrics. Out-diffusion of Na and K from the substrate, KF coevaporation, and KF PDT all increased carrier concentration, open-circuit voltage, fill factor, and power conversion efficiency. Quantum-efficiency analysis of devices highlighted the greatest lossmore » in the short-circuit current density due to incomplete absorption and collection. Secondary ion mass spectrometry illustrated the efficacy of the SiO 2 film as a sodium and potassium diffusion barrier, as well as their relative concentration in the absorber. Introduction of KF appeared to enhance diffusion of Na from the substrate, in agreement with previous studies.« less

Chromium oxide as a metal diffusion barrier layer: An x-ray absorption fine structure spectroscopy study

NASA Astrophysics Data System (ADS)

Ahamad Mohiddon, Md.; Lakshun Naidu, K.; Ghanashyam Krishna, M.; Dalba, G.; Ahmed, S. I.; Rocca, F.

2014-01-01

The interaction at the interface between chromium and amorphous Silicon (a-Si) films in the presence of a sandwich layer of chromium oxide is investigated using X-ray absorption fine structure (XAFS) spectroscopy. The oxidized interface was created, in situ, prior to the deposition of a 400 nm tick a-Si layer over a 50 nm tick Cr layer. The entire stack of substrate/metallic Cr/Cr2O3/a-Si was then annealed at temperatures from 300 up to 700 °C. Analysis of the near edge and extended regions of each XAFS spectrum shows that only a small fraction of Cr is able to diffuse through the oxide layer up to 500 °C, while the remaining fraction is buried under the oxide layer in the form of metallic Cr. At higher temperatures, diffusion through the oxide layer is enhanced and the diffused metallic Cr reacts with a-Si to form CrSi2. At 700 °C, the film contains Cr2O3 and CrSi2 without evidence of unreacted metallic Cr. The activation energy and diffusion coefficient of Cr are quantitatively determined in the two temperature regions, one where the oxide acts as diffusion barrier and another where it is transparent to Cr diffusion. It is thus demonstrated that chromium oxide can be used as a diffusion barrier to prevent metal diffusion into a-Si.

Micro heat barrier

DOEpatents

Marshall, Albert C.; Kravitz, Stanley H.; Tigges, Chris P.; Vawter, Gregory A.

2003-08-12

A highly effective, micron-scale micro heat barrier structure and process for manufacturing a micro heat barrier based on semiconductor and/or MEMS fabrication techniques. The micro heat barrier has an array of non-metallic, freestanding microsupports with a height less than 100 microns, attached to a substrate. An infrared reflective membrane (e.g., 1 micron gold) can be supported by the array of microsupports to provide radiation shielding. The micro heat barrier can be evacuated to eliminate gas phase heat conduction and convection. Semi-isotropic, reactive ion plasma etching can be used to create a microspike having a cusp-like shape with a sharp, pointed tip (<0.1 micron), to minimize the tip's contact area. A heat source can be placed directly on the microspikes. The micro heat barrier can have an apparent thermal conductivity in the range of 10.sup.-6 to 10.sup.-7 W/m-K. Multiple layers of reflective membranes can be used to increase thermal resistance.

Back-junction back-contact n-type silicon solar cell with diffused boron emitter locally blocked by implanted phosphorus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller, Ralph, E-mail: ralph.mueller@ise.fraunhofer.de; Schrof, Julian; Reichel, Christian

2014-09-08

The highest energy conversion efficiencies in the field of silicon-based photovoltaics have been achieved with back-junction back-contact (BJBC) silicon solar cells by several companies and research groups. One of the most complex parts of this cell structure is the fabrication of the locally doped p- and n-type regions, both on the back side of the solar cell. In this work, we introduce a process sequence based on a synergistic use of ion implantation and furnace diffusion. This sequence enables the formation of all doped regions for a BJBC silicon solar cell in only three processing steps. We observed that implantedmore » phosphorus can block the diffusion of boron atoms into the silicon substrate by nearly three orders of magnitude. Thus, locally implanted phosphorus can be used as an in-situ mask for a subsequent boron diffusion which simultaneously anneals the implanted phosphorus and forms the boron emitter. BJBC silicon solar cells produced with such an easy-to-fabricate process achieved conversion efficiencies of up to 21.7%. An open-circuit voltage of 674 mV and a fill factor of 80.6% prove that there is no significant recombination at the sharp transition between the highly doped emitter and the highly doped back surface field at the device level.« less

Characteristics of WN{sub x}C{sub y} films deposited using remote plasma atomic layer deposition with ({sup Me}Cp)W(CO){sub 2}(NO) for Cu diffusion barrier

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Hyunjung; Park, Jingyu; Jeon, Heeyoung

Diffusion barrier characteristics of tungsten–nitride–carbide (WN{sub x}C{sub y}) thin films interposed between Cu and SiO{sub 2} layers were studied. The WN{sub x}C{sub y} films were deposited by remote plasma atomic layer deposition (RPALD) using a metal organic source, ({sup Me}Cp)W(CO){sub 2}(NO), and ammonia. Auger electron spectroscopy analysis indicated the WN{sub x}C{sub y} films consisted of tungsten, nitrogen, carbon, and oxygen. X-ray diffraction (XRD) analysis showed that the film deposited at 350 °C was nanocrystalline. The resistivity of WN{sub x}C{sub y} film deposited by RPALD was very low compared to that in previous research because of the lower nitrogen content and differentmore » crystal structures of the WN{sub x}C{sub y}. To verify the diffusion barrier characteristics of the WN{sub x}C{sub y} film, Cu films were deposited by physical vapor deposition after WN{sub x}C{sub y} film was formed by RPALD on Si substrate. The Cu/WN{sub x}C{sub y}/Si film stack was annealed in a vacuum by rapid thermal annealing at 500 °C. Cu diffusion through the barrier layer was verified by XRD. Stable film properties were observed up to 500 °C, confirming that WN{sub x}C{sub y} film is suitable as a Cu diffusion barrier in microelectronic circuits.« less

Comparison of nickel, cobalt, palladium, and tungsten Schottky contacts on n-4H-silicon carbide

NASA Astrophysics Data System (ADS)

Gora, V. E.; Chawanda, A.; Nyamhere, C.; Auret, F. D.; Mazunga, F.; Jaure, T.; Chibaya, B.; Omotoso, E.; Danga, H. T.; Tunhuma, S. M.

2018-04-01

We have investigated the current-voltage (I-V) characteristics of nickel (Ni), cobalt (Co), tungsten (W) and palladium (Pd) Schottky contacts on n-type 4H-SiC in the 300-800 K temperature range. Results extracted from I-V measurements of Schottky barrier diodes showed that barrier height (ФBo) and ideality factor (n) were strongly dependent on temperature. Schottky barrier heights for contacts of all the metals showed an increase with temperature between 300 K and 800 K. This was attributed to barrier inhomogeneities at the interface between the metal and the semiconductor, which resulted in a distribution of barrier heights at the interface. Ideality factors of Ni, Co and Pd decreased from 1.6 to 1.0 and for W the ideality factor decreased from 1.1 to 1.0 when the temperature was increased from 300 K to 800 K respectively. The device parameters were compared to assess advantages and disadvantages of the metals for envisaged applications.

Core-shell fuel cell electrodes

DOEpatents

Adzic, Radoslav; Bliznakov, Stoyan; Vukmirovic, Miomir

2017-07-25

Embodiments of the disclosure relate to electrocatalysts. The electrocatalyst may include at least one gas-diffusion layer having a first side and a second side, and particle cores adhered to at least one of the first and second sides of the at least one gas-diffusion layer. The particle cores includes surfaces adhered to the at least one of the first and second sides of the at least one gas-diffusion layer and surfaces not in contact with the at least one gas-diffusion layer. Furthermore, a thin layer of catalytically atoms may be adhered to the surfaces of the particle cores not in contact with the at least one gas-diffusion layer.

InAs-based Hterostructure Barrier Varactor Diodes with In0.3Al0.7As0.4Sb0.6 as the Barrier Material

DTIC Science & Technology

2008-08-01

discussed. 2. Device growth and fabrication HBV diode samples were grown by solid-source molecular beam epitaxy (MBE). The layer structure consisted of...defined simultaneously using optical lithography, and Ti:Pt:Au (100:50:2500 Å) unannealed, Ohmic contacts were depos- ited by e- beam evaporation. The diode...behavior of a doped-channel high-electron mobility transistor ( HEMT ). Device physics simula- tions of the 200 Å HBV (using ATLAS from Silvaco

DEMONSTRATION OF LEACHXS/ORCHESTRA CAPABILITIES BY SIMULATING CONSTITUENT RELEASE FROM A CEMENTITIOUS WASTE FORM IN A REINFORCED CONCRETE VAULT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Langton, C.; Meeussen, J.; Sloot, H.

2010-03-31

The objective of the work described in this report is to demonstrate the capabilities of the current version of LeachXS{trademark}/ORCHESTRA for simulating chemical behavior and constituent release processes in a range of applications that are relevant to the CBP. This report illustrates the use of LeachXS{trademark}/ORCHESTRA for the following applications: (1) Comparing model and experimental results for leaching tests for a range of cementitious materials including cement mortars, grout, stabilized waste, and concrete. The leaching test data includes liquid-solid partitioning as a function of pH and release rates based on laboratory column, monolith, and field testing. (2) Modeling chemical speciationmore » of constituents in cementitious materials, including liquid-solid partitioning and release rates. (3) Evaluating uncertainty in model predictions based on uncertainty in underlying composition, thermodynamic, and transport characteristics. (4) Generating predominance diagrams to evaluate predicted chemical changes as a result of material aging using the example of exposure to atmospheric conditions. (5) Modeling coupled geochemical speciation and diffusion in a three layer system consisting of a layer of Saltstone, a concrete barrier, and a layer of soil in contact with air. The simulations show developing concentration fronts over a time period of 1000 years. (6) Modeling sulfate attack and cracking due to ettringite formation. A detailed example for this case is provided in a separate article by the authors (Sarkar et al. 2010). Finally, based on the computed results, the sensitive input parameters for this type of modeling are identified and discussed. The chemical speciation behavior of substances is calculated for a batch system and also in combination with transport and within a three layer system. This includes release from a barrier to the surrounding soil as a function of time. As input for the simulations, the physical and chemical properties of the materials are used. The test cases used in this demonstration are taken from Reference Cases for Use in the Cementitious Barriers Partnership (Langton et al. 2009). Before it is possible to model the release of substances from stabilized waste or radioactive grout through a cement barrier into the engineered soil barrier or natural soil, the relevant characteristics of such materials must be known. Additional chemical characteristics are needed for mechanistic modeling to be undertaken, not just the physical properties relevant for modeling of transport. The minimum required properties for modeling are given in Section 5.0, 'Modeling the chemical speciation of a material'.« less

Solid state oxygen sensor

DOEpatents

Garzon, F.H.; Chung, B.W.; Raistrick, I.D.; Brosha, E.L.

1996-08-06

Solid state oxygen sensors are provided with a yttria-doped zirconia as an electrolyte and use the electrochemical oxygen pumping of the zirconia electrolyte. A linear relationship between oxygen concentration and the voltage arising at a current plateau occurs when oxygen accessing the electrolyte is limited by a diffusion barrier. A diffusion barrier is formed herein with a mixed electronic and oxygen ion-conducting membrane of lanthanum-containing perovskite or zirconia-containing fluorite. A heater may be used to maintain an adequate oxygen diffusion coefficient in the mixed conducting layer. 4 figs.

Ohmic contact mechanism for RF superimposed DC sputtered-ITO transparent p-electrodes with a variety of Sn2O3 content for GaN-based light-emitting diodes

NASA Astrophysics Data System (ADS)

Kim, Tae Kyoung; Yoon, Yeo Jin; Oh, Seung Kyu; Lee, Yu Lim; Cha, Yu-Jung; Kwak, Joon Seop

2018-02-01

The dependence of the electrical and optical properties of radio frequency (RF) superimposed direct current (DC) sputtered-indium tin oxide (ITO) on the tin oxide (Sn2O3) content of the ITO is investigated, in order to elucidate an ohmic contact mechanism for the sputtered-ITO transparent electrodes on p-type gallium nitride (p-GaN). Contact resistivity of the RF superimposed DC sputtered-ITO on p-GaN in LEDs decreased when Sn2O3 content was increased from 3 wt% to 7 wt% because of the reduced sheet resistance of the sputtered-ITO with the increasing Sn2O3 content. Further increases in Sn2O3 content from 7 wt% to 15 wt% resulted in deterioration of the contact resistivity, which can be attributed to reduction of the work function of the ITO with increasing Sn2O3 content, followed by increasing Schottky barrier height at the sputtered ITO/p-GaN interface. Temperature-dependent contact resistivity of the sputtered-ITO on p-GaN also revealed that the ITO contacts with 7 wt% Sn2O3 yielded the lowest effective barrier height of 0.039 eV. Based on these results, we devised sputtered-ITO transparent p-electrodes having dual compositions of Sn2O3 content (7/10 wt%). The radiant intensity of LEDs having sputtered-ITO transparent p-electrodes with the dual compositions (7/10 wt%) was enhanced by 13% compared to LEDs having ITO with Sn2O3 content of 7 wt% only.

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

NASA Astrophysics Data System (ADS)

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.

Activated dynamics in dense fluids of attractive nonspherical particles. II. Elasticity, barriers, relaxation, fragility, and self-diffusion

NASA Astrophysics Data System (ADS)

Tripathy, Mukta; Schweizer, Kenneth S.

2011-04-01

In paper II of this series we apply the center-of-mass version of Nonlinear Langevin Equation theory to study how short-range attractive interactions influence the elastic shear modulus, transient localization length, activated dynamics, and kinetic arrest of a variety of nonspherical particle dense fluids (and the spherical analog) as a function of volume fraction and attraction strength. The activation barrier (roughly the natural logarithm of the dimensionless relaxation time) is predicted to be a rich function of particle shape, volume fraction, and attraction strength, and the dynamic fragility varies significantly with particle shape. At fixed volume fraction, the barrier grows in a parabolic manner with inverse temperature nondimensionalized by an onset value, analogous to what has been established for thermal glass-forming liquids. Kinetic arrest boundaries lie at significantly higher volume fractions and attraction strengths relative to their dynamic crossover analogs, but their particle shape dependence remains the same. A limited universality of barrier heights is found based on the concept of an effective mean-square confining force. The mean hopping time and self-diffusion constant in the attractive glass region of the nonequilibrium phase diagram is predicted to vary nonmonotonically with attraction strength or inverse temperature, qualitatively consistent with recent computer simulations and colloid experiments.

Effect of hole transport on performance of infrared type-II superlattice light emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Youxi; Suchalkin, Sergey; Kipshidze, Gela

2015-04-28

The effect of hole transport on the performance of infrared light emitting diodes (LED) was investigated. The active area of the LEDs comprised two type-II superlattices with different periods and widths connected in series. Electroluminescence spectra of the devices with different positions of long wave and mid wave superlattice sections were mostly contributed by the superlattice closest to the p-contact. The experimental results indicate that due to suppressed vertical hole transport, the recombination of electrically injected electrons and holes in a type II superlattice LED active region takes place within a few superlattice periods near p-barrier. Possible reason for themore » effect is reduction of hole diffusion coefficient in an active area of a superlattice LED under bias.« less

Measurement of effective bulk and contact resistance of gas diffusion layer under inhomogeneous compression - Part II: Thermal conductivity

NASA Astrophysics Data System (ADS)

Roy Chowdhury, Prabudhya; Vikram, Ajit; Phillips, Ryan K.; Hoorfar, Mina

2016-07-01

The gas diffusion layer (GDL) is a thin porous layer sandwiched between a bipolar plate (BPP) and a catalyst coated membrane in a fuel cell. Besides providing passage for water and gas transport from and to the catalyst layer, it is responsible for electron and heat transfer from and to the BPP. In this paper, a method has been developed to measure the GDL bulk thermal conductivity and the contact resistance at the GDL/BPP interface under inhomogeneous compression occurring in an actual fuel cell assembly. Toray carbon paper GDL TGP-H-060 was tested under a range of compression pressure of 0.34 to 1.71 MPa. The results showed that the thermal contact resistance decreases non-linearly (from 3.8 × 10-4 to 1.17 × 10-4 Km2 W-1) with increasing pressure due to increase in microscopic contact area between the GDL and BPP; while the effective bulk thermal conductivity increases (from 0.56 to 1.42 Wm-1 K-1) with increasing the compression pressure. The thermal contact resistance was found to be greater (by a factor of 1.6-2.8) than the effective bulk thermal resistance for all compression pressure ranges applied here. This measurement technique can be used to identify optimum GDL based on minimum bulk and contact resistances measured under inhomogeneous compression.

Structural, Functional, and Metabolic Brain Markers Differentiate Collision versus Contact and Non-Contact Athletes

PubMed Central

Churchill, Nathan W.; Hutchison, Michael G.; Di Battista, Alex P.; Graham, Simon J.; Schweizer, Tom A.

2017-01-01

There is growing concern about how participation in contact sports affects the brain. Retrospective evidence suggests that contact sports are associated with long-term negative health outcomes. However, much of the research to date has focused on former athletes with significant health problems. Less is known about the health of current athletes in contact and collision sports who have not reported significant medical issues. In this cross-sectional study, advanced magnetic resonance imaging (MRI) was used to evaluate multiple aspects of brain physiology in three groups of athletes participating in non-contact sports (N = 20), contact sports (N = 22), and collision sports (N = 23). Diffusion tensor imaging was used to assess white matter microstructure based on measures of fractional anisotropy (FA) and mean diffusivity (MD); resting-state functional MRI was used to evaluate global functional connectivity; single-voxel spectroscopy was used to compare ratios of neural metabolites, including N-acetyl aspartate (NAA), creatine (Cr), choline, and myo-inositol. Multivariate analysis revealed structural, functional, and metabolic measures that reliably differentiated between sport groups. The collision group had significantly elevated FA and reduced MD in white matter, compared to both contact and non-contact groups. In contrast, the collision group showed significant reductions in functional connectivity and the NAA/Cr metabolite ratio, relative to only the non-contact group, while the contact group overlapped with both non-contact and collision groups. For brain regions associated with contact sport participation, athletes with a history of concussion also showed greater alterations in FA and functional connectivity, indicating a potential cumulative effect of both contact exposure and concussion history on brain physiology. These findings indicate persistent differences in brain physiology for athletes participating in contact and collision sports, which should be considered in future studies of concussion and subconcussive impacts. PMID:28878729

Formation and anisotropic magnetoresistance of Co/Pt nano-contacts through aluminum oxide barrier

NASA Astrophysics Data System (ADS)

Al-Mahdawi, Muftah; Sahashi, Masashi

2014-01-01

We report on the observation of anisotropic magnetoresistance (AMR) in vertical asymmetric nano-contacts (NCs) made through AlOx nano-oxide layer (NOL) formed by ion-assisted oxidation method in the film stack of Co/AlOx-NOL/Pt. Analysis of NC formation was based on in situ conductive atomic force microscopy and transmission electron microscopy. Depending on the purity of NCs from Al contamination, we observed up to 29% AMR ratio at room temperature.

The prospects for composites based on boron fibers

NASA Technical Reports Server (NTRS)

Naslain, R.

1978-01-01

The fabrication of boron filaments and the production of composite materials consisting of boron filaments and organic or metallic matrices are discussed. Problem involving the use of tungsten substrates in the filament fabrication process, the protection of boron fibers with diffusion barrier cladings, and the application of alloy additives in the matrix to lessen the effects of diffusion are considered. Data on the kinetics of the boron fiber/matrix interaction at high temperatures, and the influence of the fiber/matrix interaction on the mechanical properties of the composite are presented.

Diffusion and interactions of interstitials in hard-sphere interstitial solid solutions

NASA Astrophysics Data System (ADS)

van der Meer, Berend; Lathouwers, Emma; Smallenburg, Frank; Filion, Laura

2017-12-01

Using computer simulations, we study the dynamics and interactions of interstitial particles in hard-sphere interstitial solid solutions. We calculate the free-energy barriers associated with their diffusion for a range of size ratios and densities. By applying classical transition state theory to these free-energy barriers, we predict the diffusion coefficients, which we find to be in good agreement with diffusion coefficients as measured using event-driven molecular dynamics simulations. These results highlight that transition state theory can capture the interstitial dynamics in the hard-sphere model system. Additionally, we quantify the interactions between the interstitials. We find that, apart from excluded volume interactions, the interstitial-interstitial interactions are almost ideal in our system. Lastly, we show that the interstitial diffusivity can be inferred from the large-particle fluctuations alone, thus providing an empirical relationship between the large-particle fluctuations and the interstitial diffusivity.

Influence of cell shape, inhomogeneities and diffusion barriers in cell polarization models

NASA Astrophysics Data System (ADS)

Giese, Wolfgang; Eigel, Martin; Westerheide, Sebastian; Engwer, Christian; Klipp, Edda

2015-12-01

In silico experiments bear the potential for further understanding of biological transport processes by allowing a systematic modification of any spatial property and providing immediate simulation results. Cell polarization and spatial reorganization of membrane proteins are fundamental for cell division, chemotaxis and morphogenesis. We chose the yeast Saccharomyces cerevisiae as an exemplary model system which entails the shuttling of small Rho GTPases such as Cdc42 and Rho, between an active membrane-bound form and an inactive cytosolic form. We used partial differential equations to describe the membrane-cytosol shuttling of proteins. In this study, a consistent extension of a class of 1D reaction-diffusion systems into higher space dimensions is suggested. The membrane is modeled as a thin layer to allow for lateral diffusion and the cytosol is modeled as an enclosed volume. Two well-known polarization mechanisms were considered. One shows the classical Turing-instability patterns, the other exhibits wave-pinning dynamics. For both models, we investigated how cell shape and diffusion barriers like septin structures or bud scars influence the formation of signaling molecule clusters and subsequent polarization. An extensive set of in silico experiments with different modeling hypotheses illustrated the dependence of cell polarization models on local membrane curvature, cell size and inhomogeneities on the membrane and in the cytosol. In particular, the results of our computer simulations suggested that for both mechanisms, local diffusion barriers on the membrane facilitate Rho GTPase aggregation, while diffusion barriers in the cytosol and cell protrusions limit spontaneous molecule aggregations of active Rho GTPase locally.

Surface Properties of PEMFC Gas Diffusion Layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

WoodIII, David L; Rulison, Christopher; Borup, Rodney

2010-01-01

The wetting properties of PEMFC Gas Diffusion Layers (GDLs) were quantified by surface characterization measurements and modeling of material properties. Single-fiber contact-angle and surface energy (both Zisman and Owens-Wendt) data of a wide spectrum of GDL types is presented to delineate the effects of hydrophobic post-processing treatments. Modeling of the basic sessile-drop contact angle demonstrates that this value only gives a fraction of the total picture of interfacial wetting physics. Polar forces are shown to contribute 10-20 less than dispersive forces to the composite wetting of GDLs. Internal water contact angles obtained from Owens-Wendt analysis were measured at 13-19 highermore » than their single-fiber counterparts. An inverse relationship was found between internal contact angle and both Owens-Wendt surface energy and % polarity of the GDL. The most sophisticated PEMFC mathematical models use either experimentally measured capillary pressures or the standard Young-Laplace capillary-pressure equation. Based on the results of the Owens-Wendt analysis, an advancement to the Young-Laplace equation is proposed for use in these mathematical models, which utilizes only solid surface energies and fractional surface coverage of fluoropolymer. Capillary constants for the spectrum of analyzed GDLs are presented for the same purpose.« less

Experimental Study on the Interaction Between Contacting Barrier Materials for Containment of Radioactive Wastes

NASA Astrophysics Data System (ADS)

Huang, W. H.; Chang, H. C.

2017-12-01

The disposal of low- and intermediate-level radioactive wastes requires use of multi-barriers for isolation of the wastes from the biosphere. Typically, the engineered barriers are composed of a concrete vault, buffer and backfill materials. Zhishin clay and Black Hill bentonite were used as raw clay material in making buffer and backfill materials in this study. These clays were compacted to make buffer material, or mixed with Taitung area argillite to produce backfill material for potential application as barriers for the disposal of low- and intermediate-level radioactive wastes. The interaction between concrete barrier and the buffer/backfill material is simulated by an accelerated migration test to investigate the effect of contacting concrete on the expected functions of buffer/backfill material. The results show buffer material close to the contact with concrete exhibits significant change in the ratio of calcium/sodium exchange capacity, due to the move of calcium ions released from the concrete. The shorter the distance from the contacting interface, the ratio of the calcium/sodium concentration in buffer/backfill materials increases. The longer the distance from the interface, the effect of the contact on alteration in clays become less significant. Also, some decreases in swelling capacity in the buffer/backfill material near the concrete-backfill interface are noted. Finally, a comparison is made between Zhisin clay and Balck Hill bentonite on the interaction between concrete and the two clays. Black Hill bentonite was found to be influenced more by the interaction, because of the higher content of montmorillonite. On the other hand, being a mixture of clay and sand, backfill material is less affected by the decalsification of concrete at the contact than buffer material.

Dynamics of solid dispersions in oil during the lubrication of point contacts. Part 1: Graphite

NASA Technical Reports Server (NTRS)

Cusano, C.; Sliney, H. E.

1981-01-01

A Hertzian contact was lubricated with dispersed graphite in mineral oils under boundary lubrication conditions. The contact was optically observed under pure rolling, combined rolling and sliding, and pure sliding conditions. The contact was formed with a steel ball on the flat surface of a glass disk. Photomicrographs are presented which show the distribution of the graphite in and around the contact. Friction and surface damage are also shown for conditions when the base oils are used alone and when graphite is added to the base oils. Under pure rolling and combined rolling and sliding conditions, it is found that, for low speeds, a graphite film can form which will separate the contacting surfaces. Under pure sliding conditions, graphite accumulates at the inlet and sweeps around the contact, but very little of the graphite passes through the contact. The accumulated graphite appears to act as a barrier which reduces the supply of oil available to the contact for boundary lubrication. Friction data show no clear short term beneficial or detrimental effect caused by addition of graphite to the base oil. However, during pure sliding, more abrasion occurs on the polished balls lubricated with the dispersion than on those lubricated with the base oil alone. All observations were for the special case of a highly-polished ball on a glass surface and may not be applicable to other geometries and materials, or to rougher surfaces.

In vitro study of percutaneous absorption of aluminum from antiperspirants through human skin in the Franz™ diffusion cell.

PubMed

Pineau, Alain; Guillard, Olivier; Favreau, Frédéric; Marty, Marie-Hélène; Gaudin, Angeline; Vincent, Claire Marie; Marrauld, Annie; Fauconneau, Bernard; Marty, Jean-Paul

2012-05-01

Aluminum salts such as aluminum chlorohydrate (ACH) are known for use as an active antiperspirant agent that blocks the secretion of sweat. A local case report of hyperaluminemia in a woman using an aluminum-containing antiperspirant for 4 years raises the problem of transdermal absorption of aluminum (Al). Only a very limited number of studies have shown that the skin is an effective barrier to transdermal uptake of Al. In accordance with our analytical procedure, the aim of this study with an in vitro Franz™ diffusion cell was to measure aluminum uptake from three cosmetic formulations of antiperspirant: the base for an "aerosol" (38.5% of ACH), a "roll-on" emulsion (14.5% ACH), and a "stick" (21.2%), by samples of intact and stripped human skin (5 donors). The Al assays were performed by Zeeman Electrothermal Atomic Absorption Spectrophotometry (ZEAAS). Following contacts lasting 6, 12 and 24h, the Al assays showed only insignificant transdermal absorption of Al (≤0.07% of the quantity of Al deposited) and particularly low cutaneous quantities that varied according to the formulations (1.8 μg/cm² for "aerosol base" and "stick" - 0.5 μg/cm² for the "roll-on"). On stripped skin, for which only the "stick" formulation was tested, the measured uptake was significantly higher (11.50 μg/cm² versus 1.81 μg/cm² for normal skin). These results offer reassurance as regards to the use of antiperspirants for topical application of ACH-containing cosmetic formulations on healthy skin over a limited time span (24h). On the other hand, high transdermal Al uptake on stripped skin should compel antiperspirant manufacturers to proceed with the utmost caution. Copyright © 2012 Elsevier Inc. All rights reserved.

Core-shell fuel cell electrodes

DOEpatents

Adzic, Radoslav; Bliznakov, Stoyan; Vukmirovic, Miomir

2017-12-26

Embodiments of the disclosure relate to membrane electrode assemblies. The membrane electrode assembly may include at least one gas-diffusion layer having a first side and a second side, and particle cores adhered to at least one of the first and second sides of the at least one gas-diffusion layer. The particle cores includes surfaces adhered to the at least one of the first and second sides of the at least one gas-diffusion layer and surfaces not in contact with the at least one gas-diffusion layer. Furthermore, a thin layer of catalytically atoms may be adhered to the surfaces of the particle cores not in contact with the at least one gas-diffusion layer.

Efficacy of a Hand Regimen in Skin Barrier Protection in Individuals With Occupational Irritant Contact Dermatitis.

PubMed

Jordan, Laura

2016-11-01

Occupational irritant contact dermatitis (OICD) is a dif cult and hard to manage condition. It occurs more frequently in certain occupations where contact with harsh chemicals, use of alcohol-based disinfectants, and frequent hand washing heightens the risk. Treatment for OICD includes patient education in addition to physical, topical, and systemic therapies. To review the pathogenesis and treatment options for OICD and evaluate the ef cacy of a selective skin-care regimen involv- ing a hand protectant cream alone as well as combined with a repair cream and speci c cleanser. A single-center open study was performed comprising 42 healthy male and female adult volunteers prone to occupational irritant contact dermatitis due to frequent wet work or contact with detergents. Between day 0 and day 7, subjects applied a hand protectant cream as needed on both hands (at least twice daily). On days 7 to 14, subjects applied a hand protectant cream and cleanser as needed on both hands (at least twice daily) as well as a repair cream each evening. A diary log was given to each volunteer for application control and for a subjective evaluation of daily tolerability. In these subjects prone to occupational irritant contact dermatitis, the hand protectant cream applied during the initial 7-day period was effective in restoring the damaged skin barrier and improving the stratum corneum hydration. A regimen that combined the hand protectant and repair creams with a speci c cleanser during a further 7-day period allowed contin- ued improvement of skin hydration and additional clinical bene ts while respecting the skin barrier function. The results of this study support the use of a 3-step approach for patients who are at risk of repeated exposure to external irritants. J Drugs Dermatol. 2016;15(suppl 11):s81-85..

A study on male homosexual behavior.

PubMed

Ramachandran, R; Viswanath, Sudha; Elangovan, P; Saravanan, N

2015-01-01

Male homosexual behavior carries a high risk of transmitting sexually transmitted infections (STIs). Ignorance regarding the associated high risk, indulgence inspite of no natural homosexual orientation and not using protective barrier methods can affect the sexual health of adolescents and adults. (1) To assess the proportion of men who have sex with men (MSM) having a natural homosexual orientation compared to those who had acquired the homosexual behavior initially under various circumstances (such as due to certain misconceptions, fear of having heterosexual contact, peer pressure, and influence of alcohol). (2) To assess the level of awareness regarding increased risk of transmission of STIs associated with homosexual behavior and regarding protective barrier methods. After obtaining consent from the subjects, questionnaire - based interview used for obtaining data for this observational (cross-sectional) study. (1) Of the 50 subjects, only about 25% had interest in homosexual behavior prior to initial episode. (2) About 50% subjects indulged in homosexual behavior due to lack/fear of having heterosexual contact. (3) About 60% subjects believed that homosexual behavior carried relatively lower risk of acquiring STIs and 68% subjects have had unprotected contact. (4) About 70% subjects had only acquired this behavior and nearly 60% subjects were interested in heterosexual marriage and not interested in further homosexual behavior. (1) Homosexuality is a natural orientation in some and an acquired behavior in the rest. (2) If homosexual behavior is acquired, due to misconceptions, then imparting sex education and awareness regarding involved risks, and the importance of protective barrier methods will prevent ignorance driven behavior. For those with natural homosexual orientation, the importance of protective barrier methods in homosexual behavior needs emphasis.

Adsorption and diffusion of Au atoms on the (001) surface of Ti, Zr, Hf, V, Nb, Ta, and Mo carbides.

PubMed

Florez, Elizabeth; Viñes, Francesc; Rodriguez, Jose A; Illas, Francesc

2009-06-28

The adsorption of atomic Au on the (001) surface of TiC, ZrC, HfC, VC, NbC, TaC, and delta-MoC and the mechanism of diffusion of this adatom through the surface have been studied in terms of a periodic density functional theory based approach. In all the cases, the Au adsorption energies are in the range of 1.90-2.35 eV. The moderately large adsorption energies allow the Au diffusion before desorption could take place. For TiC(001), ZrC(001), and HfC(001), atomic Au is adsorbed directly on top of C atoms and diffusion takes place along the diagonal of the squares formed by M-C-M-C atoms with the transition state located above the hollow sites. For the rest of transition metal carbides the situation is less simple with the appearance of more than one stable adsorption site, as for NbC and TaC, of a small energy barrier for diffusion around the most stable adsorption site and of a more complex diffusion pathway. The small energy barrier for diffusion around the most stable site will result in a highly mobile Au species which could be observed in scanning tunnel microscope experiments. After depositing Au on metal-carbide surfaces, there is a noticeable charge transfer from the substrate to the adsorbed Au atom. The electronic perturbations on Au increase when going from TiC to ZrC or TaC. Our results indicate that metal carbides should be better supports for the chemical activation of Au than metal oxides.

Investigating the role of state permitting and agriculture agencies in addressing public health concerns related to industrial food animal production.

PubMed

Fry, Jillian P; Laestadius, Linnea I; Grechis, Clare; Nachman, Keeve E; Neff, Roni A

2014-01-01

Industrial food animal production (IFAP) operations adversely impact environmental public health through air, water, and soil contamination. We sought to determine how state permitting and agriculture agencies respond to these public health concerns. We conducted semi-structured qualitative interviews with staff at 12 state agencies in seven states, which were chosen based on high numbers or rapid increase of IFAP operations. The interviews served to gather information regarding agency involvement in regulating IFAP operations, the frequency and type of contacts received about public health concerns, how the agency responds to such contacts, and barriers to additional involvement. Permitting and agriculture agencies' responses to health-based IFAP concerns are constrained by significant barriers including narrow regulations, a lack of public health expertise within the agencies, and limited resources. State agencies with jurisdiction over IFAP operations are unable to adequately address relevant public health concerns due to multiple factors. Combining these results with previously published findings on barriers facing local and state health departments in the same states reveals significant gaps between these agencies regarding public health and IFAP. There is a clear need for regulations to protect public health and for public health professionals to provide complementary expertise to agencies responsible for regulating IFAP operations.

Regulation of Epithelial Cell Permeability by Nanostructured Thin Films

NASA Astrophysics Data System (ADS)

Stewart, Tarianna V.

Epithelia form barriers that regulate the movement of water, ions and molecules from one part of an organ to another. Facilitated transepithelial transport is important to enable drug delivery. Using human colon carcinoma (Caco-2) epithelial cells as a model, I found that contact with patterned nanostructured films (NSFs) enhanced the transepithelial transport of several different macromolecules without using chemical permeation agents. To determine the maximum paracellular permeability through tight junctions (TJs) I modified a calcium-"switch" model, as measured by the diffusion rate for all of the probes examined when media was changed from standard (20 mM) to low (10 microM) calcium. I then compared the permeability of Caco-2 cells in contact with NSFs to the maximum paracellular permeability of cells without NSFs at baseline. Caco-2 cells stimulated with NSFs showed an enhanced level of apical to basolateral transport for intact IgG compared to maximum paracellular permeability. However for the other probes examined, the paracellular permeability induced by NSFs was less than the maximum paracellular permeability of cells. These findings suggest that Caco-2 cells in contact with NSFs induce the specific, active transport of IgG from the apical to the basolateral cell surface of the epithelium. A series of experiments demonstrated the presence of so-called "neonatal" Fc receptors (FcRn) in Caco-2 cells and that these mediated the transcytosis of IgG across the cells. Moreover, contact with NSFs also enhanced paracellular transport, as determined by changes in TJ morphology and decreased transepithelial resistance (TER). To better understand the effects of NSFs on paracellular transport, we measured changes in matrix-metalloendoprotease (MMP) expression and activity was examined. MMP-2 and MMP-9 were upregulated by contact with NSFs. Roles for MMPs in regulating the effects of NSFs on epithelial cells are discussed. Thus, NSFs specifically enhance the transepithelial transport of agents in a substrate dependent manner utilizing both the transcellular and paracellular routes, suggesting that NSF-based devices are critical to developing a tunable drug delivery system.

On the Existence of Our Metals-Based Civilization: I. Phase Space Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

D.D. Macdonald

2005-06-22

The stability of the barrier layers of bilayer passive films that form on metal and alloy surfaces, when in contact with oxidizing aqueous environments, is explored within the framework of the Point Defect Model (PDM) using phase-space analysis (PSA), in which the rate of growth of the barrier layer into the metal, (dL{sup +}/dt), and the barrier layer dissolution rate, (dL{sup -}/dt), are plotted simultaneously against the barrier layer thickness. A point of intersection of dL{sup -}/dt with dL{sup +}/dt indicates the existence of a metastable barrier layer with a steady state thickness greater than zero. If dL{sup -}/dt >more » (dL{sup +}/dt){sub L=0}, where the latter quantity is the barrier layer growth rate at zero barrier layer thickness, the barrier layer cannot exist, even as a metastable phase, as the resulting thickness would be negative. Under these conditions, the surface is depassivated and the metal may corrode at a rapid rate. Depassivation may result from a change in the oxidation state of the cation upon dissolution of the barrier layer, such that the dissolution rate becomes highly potential dependent (as in the case of transpassive dissolution of chromium-containing alloys, for example, in which the reaction Cr{sub 2}O{sub 3} + 5H{sub 2}O {yields} 2CrO{sub 4}{sup 2-} + 10H {sup +} + 6e{sup -} results in the destruction of the film), or by the action of some solution-phase species (e.g., H{sup +}, Cl{sup -}) that enhances the dissolution rate to the extent that dL{sup -}/dt > (dL{sup +}/dt){sub L=0}. The boundaries for depassivation may be plotted in potential-pH space to develop Kinetic Stability Diagrams (KSDs) as alternatives to the classical Pourbaix diagrams for describing the conditions under which metals or alloys exist in contact with an aqueous environment. The advantage of KSDs is that they provide kinetic descriptions of the state of a metal or alloy that is in much closer concert with the kinetic phenomenon of passivity and depassivation than are equilibrium thermodynamic diagrams. Thus, KSDs more accurately account for the limits of passivity in highly acidic systems, where acid depassivation occurs, and at high potentials, where transition to the transpassive state may occur in some systems. In any event, phase space analysis of the PDM permits specification of the conditions over which reactive metals will remain passive in contact with aqueous systems and hence of the conditions that must be met for the existence of our metals-based civilization.« less

Modeling the long-term durability of concrete barriers in the context of low-activity waste storage

NASA Astrophysics Data System (ADS)

Protière, Y.; Samson, E.; Henocq, P.

2013-07-01

The paper investigates the long-term durability of concrete barriers in contact with a cementitious wasteform designed to immobilize low-activity nuclear waste. The high-pH pore solution of the wasteform contains high concentration level of sulfate, nitrate, nitrite and alkalis. The multilayer concrete/wasteform system was modeled using a multiionic reactive transport model accounting for coupling between species, dissolution/ precipitation reactions, and feedback effect. One of the primary objectives was to investigate the risk associated with the presence of sulfate in the wasteform on the durability of concrete. Simulation results showed that formation of expansive phases, such as gypsum and ettringite, into the concrete barrier was not extensive. Based on those results, it was not possible to conclude that concrete would be severely damaged, even after 5,000 years. Lab work was performed to provide data to validate the modeling results. Paste samples were immersed in sulfate contact solutions and analyzed to measure the impact of the aggressive environment on the material. The results obtained so far tend to confirm the numerical simulations.

Chemical vapor deposition of W-Si-N and W-B-N

DOEpatents

Fleming, James G.; Roherty-Osmun, Elizabeth Lynn; Smith, Paul M.; Custer, Jonathan S.; Jones, Ronald V.; Nicolet, Marc-A.; Madar, Roland; Bernard, Claude

1999-01-01

A method of depositing a ternary, refractory based thin film on a substrate by chemical vapor deposition employing precursor sources of tungsten comprising WF.sub.6, either silicon or boron, and nitrogen. The result is a W--Si--N or W--B--N thin film useful for diffusion barrier and micromachining applications.

CVD-Based Valence-Mending Passivation for Crystalline-Si Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tao, Meng

2015-03-01

The objective of this project is to investigate a new surface passivation technique, valence-mending passivation, for its applications in crystalline-Si solar cells to achieve significant efficiency improvement and cost reduction. As the enabling technique, the project includes the development of chemical vapor deposition recipes to passivate textured Si(100) and multicrystalline-Si surfaces by sulfur and the characterization of the passivated Si surfaces, including thermal stability, Schottky barrier height, contact resistance and surface recombination. One important application is to replace the Ag finger electrode in Si cells with Al to reduce cost, by ~$0.1/Wp, and allow terawatt-scale deployment of crystalline-Si solar cells.more » These all-Al Si cells require a low-temperature metallization process for the Al electrode, to be compatible with valence-mending passivation and to prevent Al diffusion into n-type Si. Another application is to explore valence-mending passivation of grain boundaries in multicrystalline Si by diffusing sulfur into grain boundaries, to reduce the efficiency gas between monocrystalline-Si solar cells and multicrystalline-Si cells. The major accomplishments of this project include: 1) Demonstration of chemical vapor deposition processes for valence-mending passivation of both monocrystalline Si(100) and multicrystalline Si surfaces. Record Schottky barriers have been demonstrated, with the new record-low barrier of less than 0.08 eV between Al and sulfur-passivated n-type Si(100) and the new record-high barrier of 1.14 eV between Al and sulfur-passivated p-type Si(100). On the textured p-type monocrystalline Si(100) surface, the highest barrier with Al is 0.85 eV by valence-mending passivation. 2) Demonstration of a low-temperature metallization process for Al in crystalline-Si solar cells. The new metallization process is based on electroplating of Al in a room-temperature ionic liquid. The resistivity of the electroplated Al is ~7×10–6 ohm-cm, similar to that of screen-printed Ag. 3) Demonstration of two all-Al, Ag-free Si solar cells, with an electroplated Al front electrode and a screen-printed Al back electrode. One cell is an industrial p-type front-emitter cell, and the other is an n-type back-emitter cell. The efficiency of the p-type cell is close to 15%. This is an industrial cell and its efficiency is capped at ~18%. 4) Demonstration of grain boundary passivation by both hydrogen and sulfur using hydrogen sulfide (H2S). When the new grain boundary passivation is combined with Al2O3 surface passivation and post-annealing, the minority carrier lifetime in the p-type multicrystalline Si samples shows a significant improvement up to 68 fold. 5) In a side project, a simple green process is developed which is capable of recycling over 90% of the Si material in end-of-life crystalline-Si solar cells. The recycled Si meets the specifications for solar-grade Si and can be used as a new poly-Si feedstock for ingot growth.« less

Melting Point Depression and Fast Diffusion in Nanostructured Brazing Fillers Confined Between Barrier Nanolayers

NASA Astrophysics Data System (ADS)

Kaptay, G.; Janczak-Rusch, J.; Jeurgens, L. P. H.

2016-08-01

Successful brazing using Cu-based nanostructured brazing fillers at temperatures much below the bulk melting temperature of Cu was recently demonstrated (Lehmert et al. in, Mater Trans 56:1015-1018, 2015). The Cu-based nano-fillers are composed of alternating nanolayers of Cu and a permeable, non-wetted AlN barrier. In this study, a thermodynamic model is derived to estimate the melting point depression (MPD) in such Cu/AlN nano-multilayers (NMLs) as function of the Cu nanolayer thickness. Depending on the melting route, the model predicts a MPD range of 238-609 K for Cu10nm/AlN10nm NMLs, which suggests a heterogeneous pre-melting temperature range of 750-1147 K (476-874 °C), which is consistent with experimental observations. As suggested by basic kinetic considerations, the observed Cu outflow to the NML surface at the temperatures of 723-1023 K (450-750 °C) can also be partially rationalized by fast solid-state diffusion of Cu along internal interfaces, especially for the higher temperatures.

Schottky Barrier Height Engineering for Electrical Contacts of Multilayered MoS2 Transistors with Reduction of Metal-Induced Gap States.

PubMed

Kim, Gwang-Sik; Kim, Seung-Hwan; Park, June; Han, Kyu Hyun; Kim, Jiyoung; Yu, Hyun-Yong

2018-06-06

The difficulty in Schottky barrier height (SBH) control arising from Fermi-level pinning (FLP) at electrical contacts is a bottleneck in designing high-performance nanoscale electronics and optoelectronics based on molybdenum disulfide (MoS 2 ). For electrical contacts of multilayered MoS 2 , the Fermi level on the metal side is strongly pinned near the conduction-band edge of MoS 2 , which makes most MoS 2 -channel field-effect transistors (MoS 2 FETs) exhibit n-type transfer characteristics regardless of their source/drain (S/D) contact metals. In this work, SBH engineering is conducted to control the SBH of electrical top contacts of multilayered MoS 2 by introducing a metal-interlayer-semiconductor (MIS) structure which induces the Fermi-level unpinning by a reduction of metal-induced gap states (MIGS). An ultrathin titanium dioxide (TiO 2 ) interlayer is inserted between the metal contact and the multilayered MoS 2 to alleviate FLP and tune the SBH at the S/D contacts of multilayered MoS 2 FETs. A significant alleviation of FLP is demonstrated as MIS structures with 1 nm thick TiO 2 interlayers are introduced into the S/D contacts. Consequently, the pinning factor ( S) increases from 0.02 for metal-semiconductor (MS) contacts to 0.24 for MIS contacts, and the controllable SBH range is widened from 37 meV (50-87 meV) to 344 meV (107-451 meV). Furthermore, the Fermi-level unpinning effect is reinforced as the interlayer becomes thicker. This work widens the scope for modifying electrical characteristics of contacts by providing a platform to control the SBH through a simple process as well as understanding of the FLP at the electrical top contacts of multilayered MoS 2 .

Diffusion of One-Dimensional Crystals in Channels of Single-Walled Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Zhigalina, V. G.; Kumskov, A. S.; Falaleev, N. S.; Vasiliev, A. L.; Kiselev, N. A.

2018-05-01

The transport of one-dimensional CuI crystals in channels of single-walled carbon nanotubes (SWCNTs) has been studied by high resolution electron microscopy. The diffusion kinetics has been investigated by counting the number of CuI atoms escaping from the nanotube channel. The diffusivity is calculated to be 6.8 × 10-21 m2/s, which corresponds to an activation-barrier height of 1 eV/atom. A comparison with the theoretically estimated height of the energy barrier for molecular transport through a graphene layer is indicative of mass transfer through vacancy defects in graphene.

An audit of chronic hepatitis B contact tracing in metropolitan Western Australia.

PubMed

Mascarenhas, Lester; Mak, Donna B

2014-03-01

People with chronic hepatitis B (CHB) are a source of transmission and those in contact with them are a national priority population for hepatitis B testing and vaccination. This audit examined contact tracing success rate and barriers. Success was defined as contacts tested and vaccinated if required. An online survey of 26 general practitioners (GPs), and computer-assisted telephone interviews of 40 patients with CHB notified between 1 September 2011 and 1 September 2012. Half of the patients with CHB (16/31) were asked to take responsibility for informing contacts; contacts of five patients were traced by doctors and those of three patients were traced by nurses. The overall success rate was 75%. Contact tracing by nurses was 100% successful; after excluding nurse contact tracing from the analysis, the success rate was 57%. GPs reported 'insufficient resources' as the most frequent doctor-related barrier to contact tracing and 58% of doctors reported that public health units should be responsible for contact tracing. Increasing contact tracing by nurses could improve success rates. Public health unit assistance for contact tracing of complex cases should continue.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Govind, Niranjan; Andersen, Amity

2016-03-16

Atomistic on-lattice self-learning kinetic Monte Carlo (SLKMC) method was used to examine the vacancy-mediated diffusion of an Al atom in pure hcp Mg. Local atomic environment dependent activation barriers for vacancy-atom exchange processes were calculated on-the-fly using climbing image nudged-elastic band method (CI-NEB) and using a Mg-Al binary modified embedded-atom method (MEAM) interatomic potential. Diffusivities of vacancy and Al atom in pure Mg were obtained from SLKMC simulations and are compared with values available in the literature that are obtained from experiments and first-principle calculations. Al Diffusivities obtained from SLKMC simulations are lower, due to larger activation barriers and lowermore » diffusivity prefactors, than those available in the literature but have same order of magnitude. We present all vacancy-Mg and vacancy-Al atom exchange processes and their activation barriers that were identified in SLKMC simulations. We will describe a simple mapping scheme to map a hcp lattice on to a simple cubic lattice that would enable hcp lattices to be simulated in an on-lattice KMC framework. We also present the pattern recognition scheme used in SLKMC simulations.« less

Diffusion and solubility coefficients determined by permeation and immersion experiments for organic solvents in HDPE geomembrane.

PubMed

Chao, Keh-Ping; Wang, Ping; Wang, Ya-Ting

2007-04-02

The chemical resistance of eight organic solvents in high density polyethylene (HDPE) geomembrane has been investigated using the ASTM F739 permeation method and the immersion test at different temperatures. The diffusion of the experimental organic solvents in HDPE geomembrane was non-Fickian kinetic, and the solubility coefficients can be consistent with the solubility parameter theory. The diffusion coefficients and solubility coefficients determined by the ASTM F739 method were significantly correlated to the immersion tests (p<0.001). The steady state permeation rates also showed a good agreement between ASTM F739 and immersion experiments (r(2)=0.973, p<0.001). Using a one-dimensional diffusion equation based on Fick's second law, the diffusion and solubility coefficients obtained by immersion test resulted in over estimates of the ASTM F739 permeation results. The modeling results indicated that the diffusion and solubility coefficients should be obtained using ASTM F739 method which closely simulates the practical application of HDPE as barriers in the field.

Fast enhancement on hydrophobicity of poplar wood surface using low-pressure dielectric barrier discharges (DBD) plasma

NASA Astrophysics Data System (ADS)

Chen, Weimin; Zhou, Xiaoyan; Zhang, Xiaotao; Bian, Jie; Shi, Shukai; Nguyen, Thiphuong; Chen, Minzhi; Wan, Jinglin

2017-06-01

The hydrophilicity of woody products leads to deformation and cracks, which greatly limits its applications. Low-pressure dielectric barrier discharge (DBD) plasma using hexamethyldisiloxane was applied in poplar wood surface to enhance the hydrophobicity. The chemical properties, micro-morphology, and contact angles of poplar wood surface before and after plasma treatment were investigated by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), x-ray photoelectron spectroscopy (XPS), scanning electron microscope and energy dispersive analysis of X-ray (SEM-EDX), atomic force microscopy (AFM), and optical contact angle measurement (OCA). Moreover, tinfoil film was used as the base to reveal the enhancement mechanism. The results showed that hexamethyldisiloxane monomer is first broken into several fragments with active sites and hydrophobic chemical groups. Meanwhile, plasma treatment results in the formation of free radicals and active sites in the poplar wood surface. Then, the fragments are reacted with free radicals and incorporated into the active sites to form a network structure based on the linkages of Si-O-Si and Sisbnd Osbnd C. Plasma treatment also leads to the formation of acicular nano-structure in poplar wood surface. These facts synergistically enhance the hydrophobicity of poplar wood surface, demonstrating the dramatically increase in the equilibrium contact angle by 330%.

Differential diffusion effects on buoyancy-driven instabilities of acid-base fronts: the case of a color indicator.

PubMed

Kuster, S; Riolfo, L A; Zalts, A; El Hasi, C; Almarcha, C; Trevelyan, P M J; De Wit, A; D'Onofrio, A

2011-10-14

Buoyancy-driven hydrodynamic instabilities of acid-base fronts are studied both experimentally and theoretically in the case where an aqueous solution of a strong acid is put above a denser aqueous solution of a color indicator in the gravity field. The neutralization reaction between the acid and the color indicator as well as their differential diffusion modifies the initially stable density profile in the system and can trigger convective motions both above and below the initial contact line. The type of patterns observed as well as their wavelength and the speed of the reaction front are shown to depend on the value of the initial concentrations of the acid and of the color indicator and on their ratio. A reaction-diffusion model based on charge balances and ion pair mobility explains how the instability scenarios change when the concentration of the reactants are varied.

Electrical Contacts in Monolayer Arsenene Devices.

PubMed

Wang, Yangyang; Ye, Meng; Weng, Mouyi; Li, Jingzhen; Zhang, Xiuying; Zhang, Han; Guo, Ying; Pan, Yuanyuan; Xiao, Lin; Liu, Junku; Pan, Feng; Lu, Jing

2017-08-30

Arsenene, arsenic analogue of graphene, as an emerging member of two-dimensional semiconductors (2DSCs), is quite promising in next-generation electronic and optoelectronic applications. The metal electrical contacts play a vital role in the charge transport and photoresponse processes of nanoscale 2DSC devices and even can mask the intrinsic properties of 2DSCs. Here, we present a first comprehensive study of the electrical contact properties of monolayer (ML) arsenene with different electrodes by using ab initio electronic calculations and quantum transport simulations. Schottky barrier is always formed with bulk metal contacts owing to the Fermi level pinning (pinning factor S = 0.33), with electron Schottky barrier height (SBH) of 0.12, 0.21, 0.25, 0.35, and 0.50 eV for Sc, Ti, Ag, Cu, and Au contacts and hole SBH of 0.75 and 0.78 eV for Pd and Pt contacts, respectively. However, by contact with 2D graphene, the Fermi level pinning effect can be reduced due to the suppression of metal-induced gap states. Remarkably, a barrier free hole injection is realized in ML arsenene device with graphene-Pt hybrid electrode, suggestive of a high device performance in such a ML arsenene device. Our study provides a theoretical foundation for the selection of favorable electrodes in future ML arsenene devices.

Electronic Devices With Diffusion Barrier and Process for Making Same

DTIC Science & Technology

2000-05-03

components. Diffusion is also a problem with other high 10 conductivity metallization materials such as gold , silver, and platinum. As can be...those of subgroup IB of the Periodic Table (i.e., copper, silver, gold ), as well as platinum. These metals are highly attractive 10 for...the metal halide molecules of the desired thickness, is formed upon the monolayer portion of the barrier -7- material. The monolayer ( monoatomic

Processes for producing low cost, high efficiency silicon solar cells

DOEpatents

Rohatgi, Ajeet; Doshi, Parag; Tate, John Keith; Mejia, Jose; Chen, Zhizhang

1998-06-16

Processes which utilize rapid thermal processing (RTP) are provided for inexpensively producing high efficiency silicon solar cells. The RTP processes preserve minority carrier bulk lifetime .tau. and permit selective adjustment of the depth of the diffused regions, including emitter and back surface field (bsf), within the silicon substrate. In a first RTP process, an RTP step is utilized to simultaneously diffuse phosphorus and aluminum into the front and back surfaces, respectively, of a silicon substrate. Moreover, an in situ controlled cooling procedure preserves the carrier bulk lifetime .tau. and permits selective adjustment of the depth of the diffused regions. In a second RTP process, both simultaneous diffusion of the phosphorus and aluminum as well as annealing of the front and back contacts are accomplished during the RTP step. In a third RTP process, the RTP step accomplishes simultaneous diffusion of the phosphorus and aluminum, annealing of the contacts, and annealing of a double-layer antireflection/passivation coating SiN/SiO.sub.x. In a fourth RTP process, the process of applying front and back contacts is broken up into two separate respective steps, which enhances the efficiency of the cells, at a slight time expense. In a fifth RTP process, a second RTP step is utilized to fire and adhere the screen printed or evaporated contacts to the structure.

Friendly-Sharing: Improving the Performance of City Sensoring through Contact-Based Messaging Applications

PubMed Central

Herrera-Tapia, Jorge; Hernández-Orallo, Enrique; Tomás, Andrés; Manzoni, Pietro; Tavares Calafate, Carlos; Cano, Juan-Carlos

2016-01-01

Regular citizens equipped with smart devices are being increasingly used as “sensors” by Smart Cities applications. Using contacts among users, data in the form of messages is obtained and shared. Contact-based messaging applications are based on establishing a short-range communication directly between mobile devices, and on storing the messages in these devices for subsequent delivery to cloud-based services. An effective way to increase the number of messages that can be shared is to increase the contact duration. We thus introduce the Friendly-Sharing diffusion approach, where, during a contact, the users are aware of the time needed to interchange the messages stored in their buffers, and they can thus decide to wait more time in order to increase the message sharing probability. The performance of this approach is anyway closely related to the size of the buffer in the device. We therefore compare various policies either for the message selection at forwarding times and for message dropping when the buffer is full. We evaluate our proposal with a modified version of the Opportunistic Networking Environment (ONE) simulator and using real human mobility traces. PMID:27649209

Principles of diffusion kurtosis imaging and its role in early diagnosis of neurodegenerative disorders.

PubMed

Arab, Anas; Wojna-Pelczar, Anna; Khairnar, Amit; Szabó, Nikoletta; Ruda-Kucerova, Jana

2018-05-01

Pathology of neurodegenerative diseases can be correlated with intra-neuronal as well as extracellular changes which lead to neuronal degeneration. The central nervous system (CNS) is a complex structure comprising of many biological barriers. These microstructural barriers might be affected by a variety of pathological processes. Specifically, changes in the brain tissue's microstructure affect the diffusion of water which can be assessed non-invasively by diffusion weighted (DW) magnetic resonance imaging (MRI) techniques. Diffusion tensor imaging (DTI) is a diffusion MRI technique that considers diffusivity as a Gaussian process, i.e. does not account for any diffusion hindrance. However, environment of the brain tissues is characterized by a non-Gaussian diffusion. Therefore, diffusion kurtosis imaging (DKI) was developed as an extension of DTI method in order to quantify the non-Gaussian distribution of water diffusion. This technique represents a promising approach for early diagnosis of neurodegenerative diseases when the neurodegenerative process starts. Hence, the purpose of this article is to summarize the ongoing clinical and preclinical research on Parkinson's, Alzheimer's and Huntington diseases, using DKI and to discuss the role of this technique as an early stage biomarker of neurodegenerative conditions. Copyright © 2018 Elsevier Inc. All rights reserved.

Anomalous Temperature Dependence in Metal-Black Phosphorus Contact.

PubMed

Li, Xuefei; Grassi, Roberto; Li, Sichao; Li, Tiaoyang; Xiong, Xiong; Low, Tony; Wu, Yanqing

2018-01-10

Metal-semiconductor contact has been the performance limiting problem for electronic devices and also dictates the scaling potential for future generation devices based on novel channel materials. Two-dimensional semiconductors beyond graphene, particularly few layer black phosphorus, have attracted much attention due to their exceptional electronic properties such as anisotropy and high mobility. However, due to its ultrathin body nature, few layer black phosphorus-metal contact behaves differently than conventional Schottky barrier (SB) junctions, and the mechanisms of its carrier transport across such a barrier remain elusive. In this work, we examine the transport characteristic of metal-black phosphorus contact under varying temperature. We elucidated the origin of apparent negative SB heights extracted from classical thermionic emission model and also the phenomenon of metal-insulator transition observed in the current-temperature transistor characteristic. In essence, we found that the SB height can be modulated by the back-gate voltage, which beyond a certain critical point becomes so low that the injected carrier can no longer be described by the conventional thermionic emission theory. The transition from transport dominated by a Maxwell-Boltzmann distribution for the high energy tail states, to that of a Fermi distribution by low energy Fermi sea electrons, is the physical origin of the observed metal-insulator transition. We identified two distinctive tunneling limited transport regimes in the contact: vertical and longitudinal tunneling.

Giant Acceleration of Diffusion Observed in a Single-Molecule Experiment on F(1)-ATPase.

PubMed

Hayashi, Ryunosuke; Sasaki, Kazuo; Nakamura, Shuichi; Kudo, Seishi; Inoue, Yuichi; Noji, Hiroyuki; Hayashi, Kumiko

2015-06-19

The giant acceleration (GA) of diffusion is a universal phenomenon predicted by the theoretical analysis given by Reimann et al. [Phys. Rev. Lett. 87, 010602 (2001)]. Here we apply the theory of the GA of diffusion to a single-molecule experiment on a rotary motor protein, F(1), which is a component of F(o)F(1) adenosine triphosphate synthase. We discuss the energetic properties of F(1) and identify a high energy barrier of the rotary potential to be 20k(B)T, with the condition that the adenosine diphosphates are tightly bound to the F(1) catalytic sites. To conclude, the GA of diffusion is useful for measuring energy barriers in nonequilibrium and single-molecule experiments.

Giant Acceleration of Diffusion Observed in a Single-Molecule Experiment on F1-ATPase

NASA Astrophysics Data System (ADS)

Hayashi, Ryunosuke; Sasaki, Kazuo; Nakamura, Shuichi; Kudo, Seishi; Inoue, Yuichi; Noji, Hiroyuki; Hayashi, Kumiko

2015-06-01

The giant acceleration (GA) of diffusion is a universal phenomenon predicted by the theoretical analysis given by Reimann et al. [Phys. Rev. Lett. 87, 010602 (2001)]. Here we apply the theory of the GA of diffusion to a single-molecule experiment on a rotary motor protein, F1 , which is a component of Fo F1 adenosine triphosphate synthase. We discuss the energetic properties of F1 and identify a high energy barrier of the rotary potential to be 20 kBT , with the condition that the adenosine diphosphates are tightly bound to the F1 catalytic sites. To conclude, the GA of diffusion is useful for measuring energy barriers in nonequilibrium and single-molecule experiments.

Gradient complex protective coatings for single-crystal turbine blades of high-heat gas turbine engines

NASA Astrophysics Data System (ADS)

Kuznetsov, V. P.; Lesnikov, V. P.; Muboyadzhyan, S. A.; Repina, O. V.

2007-05-01

Complex diffusion-condensation protective coatings characterized by gradient distribution of alloying elements over the thickness due to formation of a diffusion barrier layer on the surface of blades followed by deposition of condensation alloyed layers based on the Ni-Co-Cr-Al-Y system and an external layer based on a NiAl alloyed β-phase and a ZrO2: Y2O3 ceramics are presented. A complex gradient coating possessing unique protective properties at t = 1100-1200°C for single-crystal blades from alloy ZhS36VI for advanced gas turbine engines with gas temperature of 1550°C at the inlet to the turbine is described.

Using landscape epidemiological models to understand the distribution of chronic wasting disease in the Midwestern USA

USGS Publications Warehouse

Robinson, Stacie J.; Samuel, Michael D.; Rolley, Robert E.; Shelton, Paul

2013-01-01

Animal movement across the landscape plays a critical role in the ecology of infectious wildlife diseases. Dispersing animals can spread pathogens between infected areas and naïve populations. While tracking free-ranging animals over the geographic scales relevant to landscape-level disease management is challenging, landscape features that influence gene flow among wildlife populations may also influence the contact rates and disease spread between populations. We used spatial diffusion and barriers to white-tailed deer gene flow, identified through landscape genetics, to model the distribution of chronic wasting disease (CWD) in the infected region of southern Wisconsin and northern Illinois, USA. Our generalized linear model showed that risk of CWD infection declined exponentially with distance from current outbreaks, and inclusion of gene flow barriers dramatically improved fit and predictive power of the model. Our results indicate that CWD is spreading across the Midwestern landscape from these two endemic foci, but spread is strongly influenced by highways and rivers that also reduce deer gene flow. We used our model to plot a risk map, providing important information for CWD management by identifying likely routes of disease spread and providing a tool for prioritizing disease monitoring and containment efforts. The current analysis may serve as a framework for modeling future disease risk drawing on genetic information to investigate barriers to spread and extending management and monitoring beyond currently affected regions.

Impact of Tunnel-Barrier Strength on Magnetoresistance in Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Morgan, Caitlin; Misiorny, Maciej; Metten, Dominik; Heedt, Sebastian; Schäpers, Thomas; Schneider, Claus M.; Meyer, Carola

2016-05-01

We investigate magnetoresistance in spin valves involving CoPd-contacted carbon nanotubes. Both the temperature and bias-voltage dependence clearly indicate tunneling magnetoresistance as the origin. We show that this effect is significantly affected by the tunnel-barrier strength, which appears to be one reason for the variation between devices previously detected in similar structures. Modeling the data by means of the scattering matrix approach, we find a nontrivial dependence of the magnetoresistance on the barrier strength. Furthermore, an analysis of the spin precession observed in a nonlocal Hanle measurement yields a spin lifetime of τs=1.1 ns , a value comparable with those found in silicon- or graphene-based spin-valve devices.

Analysis of Molecular Movement Reveals Latticelike Obstructions to Diffusion in Heart Muscle Cells

PubMed Central

Illaste, Ardo; Laasmaa, Martin; Peterson, Pearu; Vendelin, Marko

2012-01-01

Intracellular diffusion in muscle cells is known to be restricted. Although characteristics and localization of these restrictions is yet to be elucidated, it has been established that ischemia-reperfusion injury reduces the overall diffusion restriction. Here we apply an extended version of raster image correlation spectroscopy to determine directional anisotropy and coefficients of diffusion in rat cardiomyocytes. Our experimental results indicate that diffusion of a smaller molecule (1127 MW fluorescently labeled ATTO633-ATP) is restricted more than that of a larger one (10,000 MW Alexa647-dextran), when comparing diffusion in cardiomyocytes to that in solution. We attempt to provide a resolution to this counterintuitive result by applying a quantitative stochastic model of diffusion. Modeling results suggest the presence of periodic intracellular barriers situated ∼1 μm apart having very low permeabilities and a small effect of molecular crowding in volumes between the barriers. Such intracellular structuring could restrict diffusion of molecules of energy metabolism, reactive oxygen species, and apoptotic signals, enacting a significant role in normally functioning cardiomyocytes as well as in pathological conditions of the heart. PMID:22385844

77 FR 39677 - Performance Review Board Membership

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-05

... ARCHITECTURAL AND TRANSPORTATION BARRIERS COMPLIANCE BOARD Performance Review Board Membership AGENCY: Architectural and Transportation Barriers Compliance Board. ACTION: Notice. SUMMARY: Notice is... Transportation Barriers Compliance Board (Access Board). FOR FURTHER INFORMATION CONTACT: David M. Capozzi...

Manifestation of plasmonic response in the detection of sub-terahertz radiation by graphene-based devices.

PubMed

Gayduchenko, I A; Fedorov, G E; Moskotin, M V; Yagodkin, D I; Seliverstov, S V; Goltsman, G N; Yu Kuntsevich, A; Rybin, M G; Obraztsova, E D; Leiman, V G; Shur, M S; Otsuji, T; Ryzhii, V I

2018-06-15

We report on the sub-terahertz (THz) (129-450 GHz) photoresponse of devices based on single layer graphene and graphene nanoribbons with asymmetric source and drain (vanadium and gold) contacts. Vanadium forms a barrier at the graphene interface, while gold forms an Ohmic contact. We find that at low temperatures (77 K) the detector responsivity rises with the increasing frequency of the incident sub-THz radiation. We interpret this result as a manifestation of a plasmonic effect in the devices with the relatively long plasmonic wavelengths. Graphene nanoribbon devices display a similar pattern, albeit with a lower responsivity.

Manifestation of plasmonic response in the detection of sub-terahertz radiation by graphene-based devices

NASA Astrophysics Data System (ADS)

Gayduchenko, I. A.; Fedorov, G. E.; Moskotin, M. V.; Yagodkin, D. I.; Seliverstov, S. V.; Goltsman, G. N.; Kuntsevich, A. Yu; Rybin, M. G.; Obraztsova, E. D.; Leiman, V. G.; Shur, M. S.; Otsuji, T.; Ryzhii, V. I.

2018-06-01

We report on the sub-terahertz (THz) (129–450 GHz) photoresponse of devices based on single layer graphene and graphene nanoribbons with asymmetric source and drain (vanadium and gold) contacts. Vanadium forms a barrier at the graphene interface, while gold forms an Ohmic contact. We find that at low temperatures (77 K) the detector responsivity rises with the increasing frequency of the incident sub-THz radiation. We interpret this result as a manifestation of a plasmonic effect in the devices with the relatively long plasmonic wavelengths. Graphene nanoribbon devices display a similar pattern, albeit with a lower responsivity.

Antibacterial properties of aged dental cements evaluated by direct-contact and agar diffusion tests.

PubMed

Lewinstein, Israel; Matalon, Shlomo; Slutzkey, Shimshon; Weiss, Ervin I

2005-04-01

Since failure of fixed partial dentures is most frequently caused by caries, it would be advantageous if cements possessed antibacterial properties. The purpose of this study was to evaluate the antibacterial properties of 3 dental cements using the direct-contact test and agar diffusion test. For the direct-contact test, wells (n = 4) of microtiter plates were coated with the tested cements (Harvard cement, Duralon, and Ketac-Cem) while Streptococcus mutans suspension was placed directly on the cements. Bacterial growth was evaluated by a temperature-controlled microplate spectrophotometer. Eight wells of bacteria without the tested cements served as the positive control. Six wells of the tested cement without bacteria served as the negative control. For the agar diffusion test, triplicate specimens of freshly mixed cements were poured into uniform wells (5 mm in diameter) punched in the agar plates inoculated with Streptococcus mutans . After incubation at 37 degrees C for 24 hours, the agar plates were examined for bacterial growth and the diameter of the halo formed in the bacterial lawn was measured. In both tests, each cement was mixed in 2 different powder/liquid ratios. For the direct-contact test, data were initially recorded after 1 hour of incubation. Additional experiments were performed on specimens that were aged for 24 hours, 1 week, 1 month, and 3 months before assessment by either direct-contact test or agar diffusion test. The data were subjected to 1-way ANOVA with the Tukey post hoc test (alpha=.05). Compared with the control group, Duralon and Harvard cements demonstrated antibacterial properties even after 3 months with the direct-contact test (P <.002), while Ketac-Cem exhibited no antibacterial properties. In the agar diffusion test, no antibacterial activity was observed for any of the tested cements. The different powder/liquid ratios had a negligible effect on the antibacterial properties of the tested cements. Within the limitations of this study, Duralon and Harvard cements possessed prolonged antibacterial properties, while Ketac-Cem exhibited no antibacterial activity. The direct-contact test may be a more suitable test than the agar diffusion test to evaluate antibacterial properties of definitive cements.

Unexpected Solubility Enhancement of Drug Bases in the Presence of a Dimethylaminoethyl Methacrylate Copolymer.

PubMed

Saal, Wiebke; Ross, Alfred; Wyttenbach, Nicole; Alsenz, Jochem; Kuentz, Martin

2018-01-02

The methacrylate copolymer Eudragit EPO (EPO) has previously shown to greatly enhance solubilization of acidic drugs via ionic interactions and by multiple hydrophobic contacts with polymeric side chains. The latter type of interaction could also play a role for solubilization of other compounds than acids. The aim of this study was therefore to investigate the solubility of six poorly soluble bases in presence and absence of EPO by quantitative ultrapressure liquid chromatography with concomitant X-ray powder diffraction analysis of the solid state. For a better mechanistic understanding, spectra and diffusion data were obtained by 1 H nuclear magnetic resonance (NMR) spectroscopy. Unexpected high solubility enhancement (up to 360-fold) was evidenced in the presence of EPO despite the fact that bases and polymer were both carrying positive charges. This exceptional and unexpected solubilization was not due to a change in the crystalline solid state. NMR spectra and measured diffusion coefficients indicated both strong drug-polymer interactions in the bulk solution, and diffusion data suggested conformational changes of the polymer in solution. Such conformational changes may have increased the accessibility and extent of hydrophobic contacts thereby leading to increased overall molecular interactions. These initially surprising solubilization results demonstrate that excipient selection should not be based solely on simple considerations of, for example, opposite charges of drug and excipient, but it requires a more refined molecular view. Different solution NMR techniques are especially promising tools to gain such mechanistic insights.

Properties of perpendicular-anisotropy magnetic tunnel junctions fabricated over the bottom electrode contact

NASA Astrophysics Data System (ADS)

Miura, Sadahiko; Honjo, Hiroaki; Kinoshita, Keizo; Tokutome, Keiichi; Koike, Hiroaki; Ikeda, Shoji; Endoh, Tetsuo; Ohno, Hideo

2015-04-01

Perpendicular-anisotropy magnetic tunnel junctions (MTJs) were prepared on four substrate geometries, i.e., directly on the axis of the bottom electrode contact, directly off the axis of the bottom electrode contact, on the axis of the bottom electrode contact with a polished bottom electrode, and off the axis of the bottom electrode contact with a polished bottom electrode. Electrical shorts were observed for direct on-axis geometry at a certain extent, whereas there were no electrical shorts for the other three geometries. The MR ratio/σR, JC0, and thermal stability factor of the devices for polish on-axis geometry were almost the same as those for polish off-axis geometry. From TEM observations of the polish on-axis device, the interface between the bottom contact and the base electrode was determined to be rough, whereas the MgO barrier layer was determined to be smooth, indicating that the polish process was effective for smooth magnetic tunnel junction fabrication over the bottom contact. MTJs for polish on-axis geometry eliminated the base electrode resistance and increased the magnetoresistance ratio. This technology contributes to the higher density of spin transfer torque magnetic random access memory.

New GaN Schottky barrier diode employing a trench on AlGaN/GaN heterostructure

NASA Astrophysics Data System (ADS)

Ha, Min-Woo; Lee, Seung-Chul; Choi, Young-Hwan; Kim, Soo-Seong; Yun, Chong-Man; Han, Min-Koo

2006-10-01

A new GaN Schottky barrier diode employing a trench structure, which is proposed and fabricated, successfully decreases a forward voltage drop without sacrificing any other electric characteristics. The trench is located in the middle of Schottky contact during a mesa etch. The Schottky metal of Pt/Mo/Ti/Au is e-gun evaporated on the 300 nm-deep trench as well as the surface of the proposed GaN Schottky barrier diode. The trench forms the vertical Au Schottky contact and lateral Pt Schottky contact due to the evaporation sequence of Schottky metal. The forward voltage drops of the proposed diode and conventional one are 0.73 V and 1.25 V respectively because the metal work function (5.15 eV) of the vertical Au Schottky contact is considerably less than that of the lateral Pt Schottky contact (5.65 eV). The proposed diode exhibits the low on-resistance of 1.58 mΩ cm 2 while the conventional one exhibits 8.20 mΩ cm 2 due to the decrease of a forward voltage drop.

Developing Infrared (IR) Transparent Conductive Electrode Technology for Multi-Functional Infrared (IR) Sensing

DTIC Science & Technology

2011-07-13

Expected I-V curve of the CNT- metal Schottky barrier; (c), Band diagrams of Aluminum and the p-type doped CNT film; (d) – (f), The band diagrams of the Al...I-V Characteristics of the CNT- metal Schottky barrier. The CNT- metal Schottky diode turns on at ~ 0.5V. The Fermi-level of the CNF film is...Figure 9. Simplified energy band diagrams of the CNT and metal interface: (a) before contact; (b) after contact. A barrier V0 is formed between the

The Lattice and Thermal Radiation Conductivity of Thermal Barrier Coatings: Models and Experiments

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Spuckler, Charles M.

2010-01-01

The lattice and radiation conductivity of ZrO2-Y2O3 thermal barrier coatings was evaluated using a laser heat flux approach. A diffusion model has been established to correlate the coating apparent thermal conductivity to the lattice and radiation conductivity. The radiation conductivity component can be expressed as a function of temperature, coating material scattering, and absorption properties. High temperature scattering and absorption of the coating systems can be also derived based on the testing results using the modeling approach. A comparison has been made for the gray and nongray coating models in the plasma-sprayed thermal barrier coatings. The model prediction is found to have a good agreement with experimental observations.

An artificial nonlinear diffusivity method for supersonic reacting flows with shocks

NASA Astrophysics Data System (ADS)

Fiorina, B.; Lele, S. K.

2007-03-01

A computational approach for modeling interactions between shocks waves, contact discontinuities and reactions zones with a high-order compact scheme is investigated. To prevent the formation of spurious oscillations around shocks, artificial nonlinear viscosity [A.W. Cook, W.H. Cabot, A high-wavenumber viscosity for high resolution numerical method, J. Comput. Phys. 195 (2004) 594-601] based on high-order derivative of the strain rate tensor is used. To capture temperature and species discontinuities a nonlinear diffusivity based on the entropy gradient is added. It is shown that the damping of 'wiggles' is controlled by the model constants and is largely independent of the mesh size and the shock strength. The same holds for the numerical shock thickness and allows a determination of the L2 error. In the shock tube problem, with fluids of different initial entropy separated by the diaphragm, an artificial diffusivity is required to accurately capture the contact surface. Finally, the method is applied to a shock wave propagating into a medium with non-uniform density/entropy and to a CJ detonation wave. Multi-dimensional formulation of the model is presented and is illustrated by a 2D oblique wave reflection from an inviscid wall, by a 2D supersonic blunt body flow and by a Mach reflection problem.

InAs-based Heterostructure Barrier Varactor Diodes with the In0.3Al0.7As0.4Sb0.6 as the Barrier Material

DTIC Science & Technology

2008-08-01

discussed. 2. Device growth and fabrication HBV diode samples were grown by solid-source molecular beam epitaxy (MBE). The layer structure consisted of...defined simultaneously using optical lithography, and Ti:Pt:Au (100:50:2500 Å) unannealed, Ohmic contacts were depos- ited by e- beam evaporation. The diode...behavior of a doped-channel high-electron mobility transistor ( HEMT ). Device physics simula- tions of the 200 Å HBV (using ATLAS from Silvaco

Designing solid-liquid interphases for sodium batteries.

PubMed

Choudhury, Snehashis; Wei, Shuya; Ozhabes, Yalcin; Gunceler, Deniz; Zachman, Michael J; Tu, Zhengyuan; Shin, Jung Hwan; Nath, Pooja; Agrawal, Akanksha; Kourkoutis, Lena F; Arias, Tomas A; Archer, Lynden A

2017-10-12

Secondary batteries based on earth-abundant sodium metal anodes are desirable for both stationary and portable electrical energy storage. Room-temperature sodium metal batteries are impractical today because morphological instability during recharge drives rough, dendritic electrodeposition. Chemical instability of liquid electrolytes also leads to premature cell failure as a result of parasitic reactions with the anode. Here we use joint density-functional theoretical analysis to show that the surface diffusion barrier for sodium ion transport is a sensitive function of the chemistry of solid-electrolyte interphase. In particular, we find that a sodium bromide interphase presents an exceptionally low energy barrier to ion transport, comparable to that of metallic magnesium. We evaluate this prediction by means of electrochemical measurements and direct visualization studies. These experiments reveal an approximately three-fold reduction in activation energy for ion transport at a sodium bromide interphase. Direct visualization of sodium electrodeposition confirms large improvements in stability of sodium deposition at sodium bromide-rich interphases.The chemistry at the interface between electrolyte and electrode plays a critical role in determining battery performance. Here, the authors show that a NaBr enriched solid-electrolyte interphase can lower the surface diffusion barrier for sodium ions, enabling stable electrodeposition.

Regulatory Promotion of Emergent CCS Technology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davies, Lincoln; Uchitel, Kirsten; Johnson, David

2014-01-01

Despite the growing inevitability of climate change and the attendant need for mitigation strategies, carbon capture and sequestration (CCS) has yet to gain much traction in the United States. Recent regulatory proposals by the U.S. Environmental Protection Agency (EPA), limited in scope to new-build power plants, represent the only significant policy initiative intended to mandate diffusion of CCS technology. Phase I of this Project assessed barriers to CCS deployment as prioritized by the CCS community. That research concluded that there were four primary barriers: (1) cost, (2) lack of a carbon price, (3) liability, and (4) lack of a comprehensivemore » regulatory regime. Phase II of this Project, as presented in this Report, assesses potential regulatory models for CCS and examines where those models address the hurdles to diffusing CCS technology identified in Phase I. It concludes (1) that a CCS-specific but flexible standard, such as a technology performance standard or a very particular type of market-based regulation, likely will promote CCS diffusion, and (2) that these policies cannot work alone, but rather, should be combined with other measures, such as liability limits and a comprehensive CCS regulatory regime.« less

Diffusion of multiwall carbon nanotubes (MWCNTs) through a high density polyethylene (HDPE) geomembrane

PubMed Central

Saheli, P. T.; Rowe, R. K.; Petersen, E. J.; O’Carroll, D. M.

2017-01-01

The new applications for carbon nanotubes (CNTs) in various fields and consequently their greater production volume have increased their potential release to the environment. Landfills are one of the major locations where carbon nanotubes are expected to be disposed and it is important to ensure that they can limit the release of CNTs. Diffusion of multiwall carbon nanotubes (MWCNTs) dispersed in an aqueous media through a high-density polyethylene (HDPE) geomembrane (as a part of the landfill barrier system) was examined. Based on the laboratory tests, the permeation coefficient was estimated to be less than 5.1×10−15 m2/s. The potential performance of a HDPE geomembrane and geosynthetic clay liner (GCL) as parts of a composite liner in containing MWCNTs was modelled for six different scenarios. The results suggest that the low value of permeation coefficient of an HDPE geomembrane makes it an effective diffusive barrier for MWCNTs and by keeping the geomembrane defects to minimum during the construction (e.g., number of holes and length of wrinkles) a composite liner commonly used in municipal solid waste landfills will effectively contain MWCNTs. PMID:28740357

First principles investigation of the initial stage of H-induced missing-row reconstruction of Pd(110) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Padama, Allan Abraham B.; Kasai, Hideaki, E-mail: kasai@dyn.ap.eng.osaka-u.ac.jp; Center for Atomic and Molecular Technologies, Osaka University, Suita, Osaka 565-0871

2014-06-28

The pathway of H diffusion that will induce the migration of Pd atom is investigated by employing first principles calculations based on density functional theory to explain the origin of missing-row reconstruction of Pd(110).The calculated activation barrier and the H-induced reconstruction energy reveal that the long bridge-to-tetrahedral configuration is the energetically favored process for the initial stage of reconstruction phenomenon. While the H diffusion triggers the migration of Pd atom, it is the latter process that significantly contributes to the activated missing-row reconstruction of Pd(110). Nonetheless, the strong interaction between the diffusing H and the Pd atoms dictates the occurrencemore » of reconstructed surface.« less

Investigation of the thermal annealing effect on electrical properties of Ni/Au, Ni/Mo/Au and Mo/Au Schottky barriers on AlGaN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Sleptsov, E. V.; Chernykh, A. V.; Chernykh, S. V.; Dorofeev, A. A.; Gladysheva, N. B.; Kondakov, M. N.; Sleptsova, A. A.; Panichkin, A. V.; Konovalov, M. P.; Didenko, S. I.

2017-03-01

Investigation of the thermal annealing effect on Schottky barrier parameters and the leakage current of Ni/Au, Ni/Mo/Au and Mo/Au Schottky barriers on AlGaN/GaN heterostructures has been performed. Improvement of Schottky barrier parameters after annealing of the investigated metallization schemes was observed. Ni/Au and Mo/Au contacts drastically degrade after annealing at the temperatures higher than 400 °C, whereas the Ni/Mo/Au contact exhibits excellent parameters after 500 °C annealing (qϕb = 1.00 eV, n = 1.13 и Ileak = 5 μA).

High Operating Temperature Barrier Infrared Detector with Tailorable Cutoff Wavelength

NASA Technical Reports Server (NTRS)

Ting, David Z. (Inventor); Hill, Cory J. (Inventor); Seibel, Alexander (Inventor); Bandara, Sumith Y. (Inventor); Gunapala, Sarath D. (Inventor)

2015-01-01

A barrier infrared detector with absorber materials having selectable cutoff wavelengths and its method of manufacture is described. A GaInAsSb absorber layer may be grown on a GaSb substrate layer formed by mixing GaSb and InAsSb by an absorber mixing ratio. A GaAlAsSb barrier layer may then be grown on the barrier layer formed by mixing GaSb and AlSbAs by a barrier mixing ratio. The absorber mixing ratio may be selected to adjust a band gap of the absorber layer and thereby determine a cutoff wavelength for the barrier infrared detector. The absorber mixing ratio may vary along an absorber layer growth direction. Various contact layer architectures may be used. In addition, a top contact layer may be isolated into an array of elements electrically isolated as individual functional detectors that may be used in a detector array, imaging array, or focal plane array.

Efficacy of Tantalum Tungsten Alloys for Diffusion Barrier Applications

NASA Astrophysics Data System (ADS)

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.

Methods for fabricating a micro heat barrier

DOEpatents

Marshall, Albert C.; Kravitz, Stanley H.; Tigges, Chris P.; Vawter, Gregory A.

2004-01-06

Methods for fabricating a highly effective, micron-scale micro heat barrier structure and process for manufacturing a micro heat barrier based on semiconductor and/or MEMS fabrication techniques. The micro heat barrier has an array of non-metallic, freestanding microsupports with a height less than 100 microns, attached to a substrate. An infrared reflective membrane (e.g., 1 micron gold) can be supported by the array of microsupports to provide radiation shielding. The micro heat barrier can be evacuated to eliminate gas phase heat conduction and convection. Semi-isotropic, reactive ion plasma etching can be used to create a microspike having a cusp-like shape with a sharp, pointed tip (<0.1 micron), to minimize the tip's contact area. A heat source can be placed directly on the microspikes. The micro heat barrier can have an apparent thermal conductivity in the range of 10.sup.-6 to 10.sup.-7 W/m-K. Multiple layers of reflective membranes can be used to increase thermal resistance.

The effects of gas diffusion layers structure on water transportation using X-ray computed tomography based Lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Jinuntuya, Fontip; Whiteley, Michael; Chen, Rui; Fly, Ashley

2018-02-01

The Gas Diffusion Layer (GDL) of a Polymer Electrolyte Membrane Fuel Cell (PEMFC) plays a crucial role in overall cell performance. It is responsible for the dissemination of reactant gasses from the gas supply channels to the reactant sites at the Catalyst Layer (CL), and the adequate removal of product water from reactant sites back to the gas channels. Existing research into water transport in GDLs has been simplified to 2D estimations of GDL structures or use virtual stochastic models. This work uses X-ray computed tomography (XCT) to reconstruct three types of GDL in a model. These models are then analysed via Lattice Boltzmann methods to understand the water transport behaviours under differing contact angles and pressure differences. In this study, the three GDL samples were tested over the contact angles of 60°, 80°, 90°, 100°, 120° and 140° under applied pressure differences of 5 kPa, 10 kPa and 15 kPa. By varying the contact angle and pressure difference, it was found that the transition between stable displacement and capillary fingering is not a gradual process. Hydrophilic contact angles in the region of 60°<θ < 90° showed stable displacement properties, whereas contact angles in the region of 100°<θ < 140° displayed capillary fingering characteristics.

Determination of radiolysis products in gamma-irradiated multilayer barrier food packaging films containing a middle layer of recycled LDPE

NASA Astrophysics Data System (ADS)

Chytiri, Stavroula; Goulas, Antonios E.; Badeka, Anastasia; Riganakos, Kyriakos A.; Petridis, Dimitrios; Kontominas, Michael G.

2008-09-01

Volatile and non-volatile radiolysis products and sensory changes of five-layer food packaging films have been determined after gamma irradiation (5-60 kGy). Barrier films were based on polyamide (PA) and low-density polyethylene (LDPE). Each film contained a middle buried layer of recycled LDPE or 100% virgin LDPE (control samples). Data showed that a large number of radiolysis products were produced such as hydrocarbons, alcohols, carbonyl compounds, carboxylic acid. These compounds were detected in the food simulant after contact with all films even at the lower absorbed doses of 5 and 10 kGy. The type and concentration of radiolysis products increased progressively with radiation dose, while no new compounds were detected as a result of the presence of recycled LDPE. In addition, irradiation dose appears to influence the sensory properties of table water in contact with films.

The effect of a combination of 0.1% octenidine dihydrochloride and 2% 2-phenoxyethanol (octenisept) on wound healing in pigs in vivo and its in vitro percutaneous permeation through intact and barrier disrupted porcine skin.

PubMed

Stahl, Jessica; Braun, Michael; Siebert, Joerg; Kietzmann, Manfred

2010-02-01

A combination of 0.1% octenidine dihydrochloride and 2% 2-phenoxyethanol (octenisept) is a commonly used disinfectant in human medicine. As porcine skin represents an adequate model for human skin, the effect of octenidine dihydrochloride and phenoxyethanol on wound healing is studied in pigs. Furthermore, the in vitro percutaneous permeation of the test substances is studied. The impact of the test formulations on wound healing is examined (A) under non occlusive conditions and (B) in comparison to another disinfectant based on povidone-iodine under occlusive conditions, while wounds are treated daily with the test substances. The percutaneous permeation of octenidine dihydrochloride and phenoxyethanol is studied in Franz-type diffusion cells with intact skin as well as barrier disrupted after tape stripping. Compared with povidone-iodine or vehicle treatment as well as untreated control wounds the treatment of wounds with the test formulation has no influence on the healing rate in pigs and does not induce retardation of wound healing. The in vitro diffusion experiment reveals that octenidine dihydrochloride is only detectable in the acceptor chamber of three-barrier disrupted skin samples. Phenoxyethanol permeates through intact porcine skin in amounts of 11.3% and through barrier disrupted skin in amounts of 43.9%

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

NASA Astrophysics Data System (ADS)

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.

Ion Exchange Method - Diffusion Barrier Investigations

NASA Astrophysics Data System (ADS)

Pielak, G.; Szustakowski, M.; Kiezun, A.

1990-01-01

Ion exchange method is used to GRIN-rod lenses manufacturing. In this process the ion exchange occurs between bulk glass (rod) and a molten salt. It was find that diffusion barrier exists on a border of glass surface and molten salt. The investigations of this barrier show that it value varies with ion exchange time and process temperature. It was find that in the case when thalium glass rod was treated in KNO3, bath, the minimum of the potential after 24 h was in temperature of 407°C, after 48 h in 422°C, after 72 h in 438°C and so on. So there are the possibility to keep the minimum of diffusion barrier by changing the temperature of the process and then the effectiveness of ion exchange process is the most effective. The time needed to obtain suitable refractive index distribution in a process when temperature was linearly changed from 400°C to 460°C was shorter of about 30% compare with the process in which temperature was constant and equal 450°C.

Au/Ti resistors used for Nb/Pb-alloy Josephson junctions. II. Thermal stability

NASA Astrophysics Data System (ADS)

Murakami, Masanori; Kim, K. K.

1984-10-01

In the preceding paper bilayered Au/Ti resistors were found to have excellent electrical stability during storage at room temperature after preannealing at an elevated temperature, which is essential to design logic and memory circuits of Nb/Pb-alloy Josephson junction devices. The resistors could contact directly with the Pb-alloy control lines in which Pb and In atoms which are known to intermix easily with Au atoms are contained. Since Pb and In atoms in the control lines are separated from Au atoms of the resistors by thin Ti layers, thermal stability at the contacts is a major concern for use of the Au/Ti resistor material in the Josephson devices. In the present study, surface morphology change and diffusion mechanism at the resistor/control-line contacts were studied using x-ray diffraction and scanning electron microscopy for square-shaped Au/Ti resistors covered by Pb-In layers. The samples were isothermally annealed at temperatures ranging from 353 to 423 K. The diffusion did not occur immediately after annealing at these temperatures. After the incubation period, the interdiffusion was observed to initiate at the edges of the resistors facing to the center of the cathode. Significant amounts of the In atoms in the Pb-In layers were observed to diffuse into the Au layers of the resistors, forming AuIn2 compounds under the Ti layers. By measuring growth rates of the AuIn2 layers, the diffusion coefficients and the activation energy for the layer growth were determined. Also, by analyzing changes in the In concentration in the Pb-In layers during annealing, interdiffusion coefficients of In atoms in the Pb-In layers were determined using a computer simulation technique. The activation energy was about 1.1 eV. Since these diffusion coefficients were found to be very close to those determined previously in bulk materials, the diffusion kinetics is believed to be controlled by the lattice diffusion. Based on the present results, several methods to reduce the interdiffusion between Pb-alloy and Au/Ti resistors were proposed.

Imaging and quantification of trans-membrane protein diffusion in living bacteria.

PubMed

Oswald, Felix; L M Bank, Ernst; Bollen, Yves J M; Peterman, Erwin J G

2014-07-07

The cytoplasmic membrane forms the barrier between any cell's interior and the outside world. It contains many proteins that enable essential processes such as the transmission of signals, the uptake of nutrients, and cell division. In the case of prokaryotes, which do not contain intracellular membranes, the cytoplasmic membrane also contains proteins for respiration and protein folding. Mutual interactions and specific localization of these proteins depend on two-dimensional diffusion driven by thermal fluctuations. The experimental investigation of membrane-protein diffusion in bacteria is challenging due to their small size, only a few times larger than the resolution of an optical microscope. Here, we review fluorescence microscopy-based methods to study diffusion of membrane proteins in living bacteria. The main focus is on data-analysis tools to extract diffusion coefficients from single-particle tracking data obtained by single-molecule fluorescence microscopy. We introduce a novel approach, IPODD (inverse projection of displacement distributions), to obtain diffusion coefficients from the usually obtained 2-D projected diffusion trajectories of the highly 3-D curved bacterial membrane. This method provides, in contrast to traditional mean-squared-displacement methods, correct diffusion coefficients and allows unravelling of heterogeneously diffusing populations.

A study on the electronic and interfacial structures of monolayer ReS2-metal contacts.

PubMed

Wang, Jin; Yang, Guofeng; Sun, Rui; Yan, Pengfei; Lu, Yanan; Xue, Junjun; Chen, Guoqing

2017-10-11

In this paper, we perform a systematic and rigorous study to evaluate the Ohmic nature of the top-contact formed by the monolayer ReS 2 (mReS 2 ) and metals (gold, silver, platinum, nickel, titanium, and scandium) by means of first-principles density functional theory calculations. We investigate the potential barrier, charge transfer and atomic orbital overlap at the mReS 2 -metal interface in consideration of van der Waals forces to understand how efficiently carriers could be injected from the metal contact to the mReS 2 channel. ReS 2 is physisorbed on Au and Ag, which leads to little perturbation of its electronic structures and forms a larger Schottky contact and a higher tunnel barrier at the interface. ReS 2 is chemisorbed on Ti and Sc, where the bonding strongly perturbs the electronic structures and is found to be purely Ohmic. The bonding of ReS 2 on Pt and Ni lies between these two extreme cases, demonstrating an intermediate behavior. These findings not only provide an insight into the mReS 2 -metal interfaces but may also prove to be instrumental in the future design of ReS 2 -based devices with good performance.

Chemical and Topographical Modification of Polycarbonate Surfaces through Diffusion/Photocuring Processes of Hydrogel Precursors Based on Vinylpyrrolidone.

PubMed

Gallardo, Alberto; Lujan, Noelia; Reinecke, Helmut; García, Carolina; Campo, Adolfo Del; Rodriguez-Hernandez, Juan

2017-02-21

Facile procedures capable of simultaneously conferring hydrophilicity and tailored topography to surfaces of hydrophobic supports, such as polycarbonate (PC), are very attractive but rare. In this work, we describe a simple methodology to wrinkle PC surfaces after a process of (a) contacting with a photopolymerizable vinylic solution, (b) UV curing of such solutions, and (c) detachment of the formed polymer network, upon swelling in ethanol. The influence of different parameters such as contact lag time between the PC surface and the polymerizable solution, the monomer concentration and type of solvents, as well as the cross-linking degree on the formation of wrinkles, has been studied. The dimensions of the wrinkles can be tailored to some extent by altering the different parameters. Surface chemistry has been analyzed by contact angle measurements and by confocal Raman microscopy. The results are consistent with a chemical alteration of the surface and the formation of an outer hydrogel layer, which is interpenetrated into the PC structure. A mechanism of monomer diffusion and PC swelling that produces surface instabilities and wrinkling is proposed.

Superconducting MgB2 wires with vanadium diffusion barrier

NASA Astrophysics Data System (ADS)

Hušek, I.; Kováč, P.; Melišek, T.; Kulich, M.; Rosová, A.; Kopera, L.; Szundiová, B.

2017-10-01

Single-core MgB2 wires with a vanadium barrier and Cu stabilization have been made by the in situ powder-in-tube (PIT) and internal magnesium diffusion (IMD) into boron processes. Heat treatment of PIT wires was done at the temperature range of 650 °C-850 °C/30 min. Critical currents of differently treated MgB2/V/Cu wires have been measured and related with the structure of MgB2. It was found that critical current density of MgB2/V wire annealed above 700 °C decreases rapidly. The obtained results clearly show that vanadium is a well formable metal and can be applied as an effective diffusion barrier for MgB2 wires heat-treated at temperatures ≤700 °C. This temperature limit is well applicable for MgB2 wires with high current densities made by PIT and also by the IMD process.

Application of diffusion barriers to the refractory fibers of tungsten, columbium, carbon and aluminum oxide

NASA Technical Reports Server (NTRS)

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

1973-01-01

A radio frequency powered ion-plating system was used to plate protective layers of refractory oxides and carbide onto high strength fiber substrates. Subsequent overplating of these combinations with nickel and titanium was made to determine the effectiveness of such barrier layers in preventing diffusion of the overcoat metal into the fibers with consequent loss of fiber strength. Four substrates, five coatings, and two metal matrix materials were employed for a total of forty material combinations. The substrates were tungsten, niobium, NASA-Hough carbon, and Tyco sapphire. The diffusion-barrier coatings were aluminum oxide, yttrium oxide, titanium carbide, tungsten carbide with 14% cobalt addition, and zirconium carbide. The metal matrix materials were IN 600 nickel and Ti 6/4 titanium. Adhesion of the coatings to all substrates was good except for the NASA-Hough carbon, where flaking off of the oxide coatings in particular was observed.

Hydrogenated amorphous carbon coatings on implants drastically reduce biofilm formation and water permeation

NASA Astrophysics Data System (ADS)

Bernsmann, Falk; Laube, Norbert; Baldsiefen, Gerhard; Castellucci, Mattia

2014-11-01

Inflammations and crystalline bacterial biofilms (encrustations) remain a major complication in long-term artificial urinary tract drainage. To solve this problem we present urological implants with coatings made of amorphous hydrogenated carbon (a-C:H) that show excellent protection from encrustation in-vitro as well as in-vivo. Part of the success of a-C:H coatings is attributed to their ability to act as a diffusion barrier between an implant and the body, which prevents leaching of solvents from polymeric implants. To further enhance their barrier properties a-C:H coatings are combined with parylene coatings to develop diffusion-barrier multilayer coatings with a total thickness between 0.2 μm and 0.8 μm. The combination of the two types of coatings leads to a reduction of water diffusion by a factor of up to ten with respect to uncoated 25 μm thick polyimide sub-strates. The diffusion of water vapour from a controlled atmospheric pressure chamber through coated foils to a vacuum chamber is measured in a custom-built device.

Nanoscopic compartmentalization of membrane protein motion at the axon initial segment.

PubMed

Albrecht, David; Winterflood, Christian M; Sadeghi, Mohsen; Tschager, Thomas; Noé, Frank; Ewers, Helge

2016-10-10

The axon initial segment (AIS) is enriched in specific adaptor, cytoskeletal, and transmembrane molecules. During AIS establishment, a membrane diffusion barrier is formed between the axonal and somatodendritic domains. Recently, an axonal periodic pattern of actin, spectrin, and ankyrin forming 190-nm-spaced, ring-like structures has been discovered. However, whether this structure is related to the diffusion barrier function is unclear. Here, we performed single-particle tracking time-course experiments on hippocampal neurons during AIS development. We analyzed the mobility of lipid-anchored molecules by high-speed single-particle tracking and correlated positions of membrane molecules with the nanoscopic organization of the AIS cytoskeleton. We observe a strong reduction in mobility early in AIS development. Membrane protein motion in the AIS plasma membrane is confined to a repetitive pattern of ∼190-nm-spaced segments along the AIS axis as early as day in vitro 4, and this pattern alternates with actin rings. Mathematical modeling shows that diffusion barriers between the segments significantly reduce lateral diffusion along the axon. © 2016 Albrecht et al.

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

NASA Astrophysics Data System (ADS)

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.

Global diffusive fluxes of methane in marine sediments

NASA Astrophysics Data System (ADS)

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 (<200 m water depth). Using anaerobic oxidation as a nearly quantitative sink for 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.

Ultrathin Cr added Ru film as a seedless Cu diffusion barrier for advanced Cu interconnects

NASA Astrophysics Data System (ADS)

Hsu, Kuo-Chung; Perng, Dung-Ching; Yeh, Jia-Bin; Wang, Yi-Chun

2012-07-01

A 5 nm thick Cr added Ru film has been extensively investigated as a seedless Cu diffusion barrier. High-resolution transmission electron microscopy micrograph, X-ray diffraction (XRD) pattern and Fourier transform-electron diffraction pattern reveal that a Cr contained Ru (RuCr) film has a glassy microstructure and is an amorphous-like film. XRD patterns and sheet resistance data show that the RuCr film is stable up to 650 °C, which is approximately a 200 °C improvement in thermal stability as compared to that of the pure Ru film. X-ray photoelectron spectroscopy depth profiles show that the RuCr film can successfully block Cu diffusion, even after a 30-min 650 °C annealing. The leakage current of the Cu/5 nm RuCr/porous SiOCH/Si stacked structure is about two orders of magnitude lower than that of a pristine Ru sample for electric field below 1 MV/cm. The RuCr film can be a promising Cu diffusion barrier for advanced Cu metallization.

Conceptual techniques for reducing parasitic current gain of lateral pnp transistors

NASA Technical Reports Server (NTRS)

Gallagher, R. C.; Scott, J. M.

1969-01-01

Two techniques have been conceptually proposed as possible means of reducing parasitic beta in lateral p-n-p transistors. One method uses a degenerate substrate and high concentration P /plus/ guard-ring diffusion, another places the base contact at the center of an annular ring structure.

Perpendicular transport in superlattice bipolar transistors (SBT)

NASA Astrophysics Data System (ADS)

Sibille, A.; Palmier, J. F.; Minot, C.; Harmand, J. C.; Dubon-Chevallier, C.

Diffusion-limited electron transport in superlattices is studied by gain measurements on heterojunction bipolar transistors with a {GaAs}/{GaAlAs} superlattice base. In the case of thin barriers, Bloch conduction is observed, while hopping between localized levels prevails for large barriers. A transition occurs between these two regimes, localization being achieved when the energy broadening induced by the electron-phonon coupling added to the disorder due to imperfect growth is of the order of the miniband width. This interpretation is supported by temperature dependence measurements of the perpendicular mobilities in relation with theoretical calculations of these mobilities.

The Lattice and Thermal Radiation Conductivity of Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Spuckler, Charles M.

2008-01-01

The lattice and radiation conductivity of thermal barrier coatings was evaluated using a laser heat flux approach. A diffusion model has been established to correlate the apparent thermal conductivity of the coating to the lattice and radiation conductivity. The radiation conductivity component can be expressed as a function of temperature and the scattering and absorption properties of the coating material. High temperature scattering and absorption of the coating systems can also be derived based on the testing results using the modeling approach. The model prediction is found to have good agreement with experimental observations.

Diffusion of gas mixtures in the sI hydrate structure

NASA Astrophysics Data System (ADS)

Waage, Magnus H.; Trinh, Thuat T.; van Erp, Titus S.

2018-06-01

Replacing methane with carbon dioxide in gas hydrates has been suggested as a way of harvesting methane, while at the same time storing carbon dioxide. Experimental evidence suggests that this process is facilitated if gas mixtures are used instead of pure carbon dioxide. We studied the free energy barriers for diffusion of methane, carbon dioxide, nitrogen, and hydrogen in the sI hydrate structure using molecular simulation techniques. Cage hops between neighboring cages were considered with and without a water vacancy and with a potential inclusion of an additional gas molecule in either the initial or final cage. Our results give little evidence for enhanced methane and carbon dioxide diffusion if nitrogen is present as well. However, the inclusion of hydrogen seems to have a substantial effect as it diffuses rapidly and can easily enter occupied cages, which reduces the barriers of diffusion for the gas molecules that co-occupy a cage with hydrogen.

Evaporation kinetics of sessile water droplets on micropillared superhydrophobic surfaces.

PubMed

Xu, Wei; Leeladhar, Rajesh; Kang, Yong Tae; Choi, Chang-Hwan

2013-05-21

Evaporation modes and kinetics of sessile droplets of water on micropillared superhydrophobic surfaces are experimentally investigated. The results show that a constant contact radius (CCR) mode and a constant contact angle (CCA) mode are two dominating evaporation modes during droplet evaporation on the superhydrophobic surfaces. With the decrease in the solid fraction of the superhydrophobic surfaces, the duration of a CCR mode is reduced and that of a CCA mode is increased. Compared to Rowan's kinetic model, which is based on the vapor diffusion across the droplet boundary, the change in a contact angle in a CCR (pinned) mode shows a remarkable deviation, decreasing at a slower rate on the superhydrophobic surfaces with less-solid fractions. In a CCA (receding) mode, the change in a contact radius agrees well with the theoretical expectation, and the receding speed is slower on the superhydrophobic surfaces with lower solid fractions. The discrepancy between experimental results and Rowan's model is attributed to the initial large contact angle of a droplet on superhydrophobic surfaces. The droplet geometry with a large contact angle results in a narrow wedge region of air along the contact boundary, where the liquid-vapor diffusion is significantly restricted. Such an effect becomes minor as the evaporation proceeds with the decrease in a contact angle. In both the CCR and CCA modes, the evaporative mass transfer shows the linear relationship between mass(2/3) and evaporation time. However, the evaporation rate is slower on the superhydrophobic surfaces, which is more significant on the surfaces with lower solid fractions. As a result, the superhydrophobic surfaces slow down the drying process of a sessile droplet on them.