Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters
NASA Astrophysics Data System (ADS)
Muhammad, Imran; Fayyaz, Hussain; Muhammad, Rashid; Muhammad, Ismail; Hafeez, Ullah; Yongqing, Cai; M Arshad, Javid; Ejaz, Ahmad; S, A. Ahmad
2016-07-01
Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters (hexamer and above), the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster, vacancy formation, filling, and shifting can be observed from the results.
Influence of the adatom diffusion on selective growth of GaN nanowire regular arrays
NASA Astrophysics Data System (ADS)
Gotschke, T.; Schumann, T.; Limbach, F.; Stoica, T.; Calarco, R.
2011-03-01
Molecular beam epitaxy (MBE) on patterned Si/AlN/Si(111) substrates was used to obtain regular arrays of uniform-size GaN nanowires (NWs). The silicon top layer has been patterned with e-beam lithography, resulting in uniform arrays of holes with different diameters (dh) and periods (P). While the NW length is almost insensitive to the array parameters, the diameter increases significantly with dh and P till it saturates at P values higher than 800 nm. A diffusion induced model was used to explain the experimental results with an effective diffusion length of the adatoms on the Si, estimated to be about 400 nm.
Influence of the adatom diffusion on selective growth of GaN nanowire regular arrays
Gotschke, T.; Schumann, T.; Limbach, F.; Calarco, R.; Stoica, T.
2011-03-07
Molecular beam epitaxy (MBE) on patterned Si/AlN/Si(111) substrates was used to obtain regular arrays of uniform-size GaN nanowires (NWs). The silicon top layer has been patterned with e-beam lithography, resulting in uniform arrays of holes with different diameters (d{sub h}) and periods (P). While the NW length is almost insensitive to the array parameters, the diameter increases significantly with d{sub h} and P till it saturates at P values higher than 800 nm. A diffusion induced model was used to explain the experimental results with an effective diffusion length of the adatoms on the Si, estimated to be about 400 nm.
Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces
NASA Astrophysics Data System (ADS)
Mińkowski, Marcin; Załuska-Kotur, Magdalena A.
2015-12-01
Diffusion of Cu adatoms and dimers on Cu(111) and Ag(111) surfaces is analyzed based on ab initio surface potentials. Single adatom diffusion is compared with dimer diffusion on both surfaces. Surface geometry makes the adatoms jump alternately between two states in the same way in both systems, whereas dimers undergo more complex diffusion process that combines translational and rotational motion. Small difference in the surface lattice constant between Cu and Ag crystals results in a completely different energy landscape for dimer jumps. As an effect the character of diffusion process changes. Homogeneous Cu dimer diffusion is more difficult and dimers rather rotate within single surface cell, whereas diffusion over Ag surface is faster and happens more smoothly. The temperature dependence of diffusion coefficient and its parameters: energy barrier and prefactor is calculated and compared for both surfaces.
NASA Astrophysics Data System (ADS)
Flötotto, D.; Wang, Z. M.; Jeurgens, L. P. H.; Bischoff, E.; Mittemeijer, E. J.
2012-08-01
The effect of the adatom surface diffusivity on the evolution of the microstructure and the intrinsic stress of thin metal films was investigated for the case of growth of polycrystalline Ag films on amorphous SiO2 (a-SiO2) and amorphous Ge (a-Ge) substrates, with high and low Ag adatom surface diffusivity, respectively. The surface diffusivity of the deposited Ag adatoms on the a-Ge substrate is suppressed also after coalescence of Ag islands due to the continuous (re)segregation of Ge at the surface of the growing film as evidenced by in-situ XPS. An assessment could be made of the role of adatom surface diffusivity on the microstructural development and the intrinsic stress evolution during film growth. As demonstrated by ex-situ TEM and ex-situ XRD, the Ag films grown on the a-SiO2 and a-Ge substrates possess strikingly different microstructures in terms of grain shape, grain size, and crystallographic texture. Nevertheless, the real-time in-situ stress measurements revealed a compressive → tensile → compressive stress evolution for the developing Ag films on both types of substrates, however on different time scales and with stress-component values of largely different magnitudes. It was concluded that (i) the microstructural development of metallic thin films is predominated by the surface diffusivity of the adatoms and (ii) the intrinsic stress evolution is largely controlled by the developing microstructure and the grain-boundary diffusivity.
Brownian Motion of 2D Vacancy Islands by Adatom Terrace Diffusion
Morgenstern, Karina; L {ae}gsgaard, Erik; Besenbacher, Flemming
2001-06-18
We have studied the Brownian motion of two-dimensional (2D) vacancy islands on Ag(110) at temperatures between 175 and 215K. While the detachment of adatoms from the island and their diffusion on the terrace are permitted in this temperature range, the periphery diffusion of single adatoms is prohibited. The present scanning tunneling microscopy results provide the first direct experimental proof that the Brownian motion of the islands follows a simple scaling law with terrace diffusion being the rate limiting process. The activation energy of the vacancy island motion is determined to 0.41eV.
A calculation of the diffusion energies for adatoms on surfaces of F.C.C. metals
NASA Technical Reports Server (NTRS)
Halicioglu, T.; Pound, G. M.
1979-01-01
The activation energies for diffusion were determined for gold, platinum and iridium adatoms on plane and plane PT surfaces and were found to be in good agreement with the measurements reported by Bassett and Webber. The Lennard-Jones pair potentials were used to model the interatomic forces, and relaxation of the substrate atoms in near proximity to the adatom was considered in detail. The present calculations clarify the mechanism of the observed two-dimensional diffusion of platinum and iridium atoms on a plane PT surface. The results are compared with those obtained using Morse potential functions and different relaxation techniques.
Diffusion of adatoms on face-centered cubic transition metal surfaces
Perkins, L.
1994-05-10
Mechanisms and associated energetics for adatom diffusion on the (100) and (110) surfaces of Ni, Cu, Rh, Pd, and Ag are investigated. Self-diffusion was studied on (100) and (I 10) surfaces of Ni, Cu, Pd and Ag using corrected effective medium method (CEM) and approximation to CEM used for molecular dynamics and Monte Carlo studies (MD/MC-CEM). Self-diffusion on Pd(100), Ag(100), Ni(110), Cu(110), Pd(110), and Ag(110) is accomplished by classical diffusion: the adatom hops from its equilibrium adsorption site over an intervening bridge site to an adjacent equilibrium site. Self-diffusion on Ni(100) and Cu(100) proceeds by atomic-exchange diffusion: the adatom on the surface displaces an atom in the first surface layer. Aside from explicit inclusion of the kinetic-exchange-correlation energy, it is critical to include enough movable atoms in the calculation to insure correct energetics. Distortions induced by these diffusion mechanisms, especially atomic exchange, are long ranged in surface plane, owing to small distortions of many atoms being energetically favored over large distortions of few atoms. Energetics and rates of heterogeneous adatom diffusion on the (100) surfaces of Ni, Cu, Rh, Pd, and Ag show that the final state energies differ due to variation of metallic bonding with coordination for different types of metal atoms. The surface energies of the 2 metals can be used to correlate the amount of energy gained or released when the adatom displaces a surface atom. This difference in energetic stability of final configurations determines whether bridge hopping diffusion or atomic displacement is the dominant kinetic process in these heterogeneous systems.
Liu, Li; Chen, Zheyuan; Wang, Lei; Polyakova Stolyarova, Elena; Taniguchi, Takashi; Watanabe, Kenji; Hone, James; Flynn, George W; Brus, Louis E
2013-04-25
We examine the nucleation kinetics of Au clusters on graphene and explore the relationship with layer number and underlying supporting substrate of graphene. Using the mean field theory of diffusion-limited aggregation, morphology patterns are semiquantitatively analyzed to obtain Au adatom effective diffusion constants and activation energies. Under specified assumptions, the Au adatom diffusion constant for single-layer graphene supported on SiO2 is ∼50 times smaller than that for hexagonal boron nitride (h-BN)-supported graphene and on the order of 800 times smaller than that for multilayer graphite. Bilayer graphene on SiO2 shows a Au adatom diffusion constant similar to single-layer graphene on h-BN. Scanning probe data show that single-layer graphene is far flatter on h-BN than on SiO2. Two factors are proposed as contributing to the observed lower diffusion constants on single-layer graphene: local surface roughness and homogeneous loss of dispersion/van der Waals electronic stability in multilayers. Graphene Raman spectroscopy shows little charge transfer between Au nanoparticles and graphene. PMID:23121443
Diffusion and growth of aluminum adatoms on magnesium clusters with hexahedral structure
NASA Astrophysics Data System (ADS)
Dai, Xiongying; Hu, Wangyu; Yang, Jianyu; Chen, Chuanpin
2015-02-01
The surface diffusion and growth of Al atoms on Mg clusters with hexahedral structure was investigated using molecular dynamics simulations. The diffusion pathways and the corresponding energy barriers were determined via the nudged elastic band method. Two diffusion paths from a (0001) facet to a neighboring (1 1 bar 01) facet and between two adjacent (1 1 bar 01) facets were considered. The energy barriers on the (1 1 bar 01) facets and between the two (1 1 bar 01) facets were remarkably increased. As such, the adatom's mobility became limited at low temperatures. The growth of small Al-Mg nanoclusters was modeled via the one-by-one atom deposition technique to form an anomalous core-shell structure. The Mg atoms with lower surface energy and larger atomic radius occupied the core and the Al atoms with higher surface energy and smaller atomic radius occupied the shell.
Effects of Thermal Electronic Excitations on the Diffusion of Oxygen Adatoms on Graphene.
Sun, Tao; Yao, Xinxin; Fabris, Stefano
2016-05-01
We conduct first-principles calculations to study oxygen diffusion on the graphene surface as a function of temperature up to 3000 K. The minimum energy migration path and the corresponding activation energy are determined by the nudged elastic band method with explicit inclusion of thermal electronic excitations. Below 1000 K the activation energy for epoxy oxygen to migrate remains close to its room temperature value (0.72 eV). Above 1000 K the activation energy decreases near linearly with temperature, from 0.70 eV at 1000 K to 0.47 eV at 3000 K. We show that this reduction originates from thermal electronic excitations. In particular, the effect is determined by the large contrasts in the electronic structures of the initial and transition states: the transition state exhibits much larger electronic density of states near the Fermi level and is more susceptible to thermal electronic excitations. The reduction in activation energy leads to appreciable enhancement in the diffusivity of oxygen adatoms. A moderate decrease in the vibrational prefactor, also caused by thermal electronic excitations, does not alter this trend. These findings may facilitate future works to accurately describe the dynamics of O adatoms on graphene at high T, which are critical for determining surface thermodynamic properties such as equilibrium coverage. PMID:27074529
Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.
2015-01-15
CdTe is one of the most promising semiconductor for thin-film based solar cells. Here we report a computational study of Cd and Te adatom diffusion on the CdTe (111) A-type (Cd terminated) and B-type (Te terminated) surfaces and their migration paths. The atomic and electronic structure calculations are performed under the DFT formalism and climbing Nudge Elastic Band (cNEB) method has been applied to evaluate the potential barrier of the Te and Cd diffusion. In general the minimum energy site on the surface is labeled as A{sub a} site. In case of Te and Cd on B-type surface, the sub-surface site (a site just below the top surface) is very close in energy to the A site. This is responsible for the subsurface accumulation of adatoms and therefore, expected to influence the defect formation during growth. The diffusion process of adatoms is considered from A{sub a} (occupied) to A{sub a} (empty) site at the nearest distance. We have explored three possible migration paths for the adatom diffusion. The adatom surface interaction is highly dependent on the type of the surface. Typically, Te interaction with both type (5.2 eV for A-type and 3.8 eV for B-type) is stronger than Cd interactions(2.4 eV for B-type and 0.39 eV for A-type). Cd interaction with the A-type surface is very weak. The distinct behavior of the A-type and B-type surfaces perceived in our study explain the need of maintaining the A-type surface during growth for smooth and stoichiometric growth.
Modelisation de la diffusion sur les surfaces metalliques: De l'adatome aux processus de croissance
NASA Astrophysics Data System (ADS)
Boisvert, Ghyslain
Cette these est consacree a l'etude des processus de diffusion en surface dans le but ultime de comprendre, et de modeliser, la croissance d'une couche mince. L'importance de bien mai triser la croissance est primordiale compte tenu de son role dans la miniaturisation des circuits electroniques. Nous etudions ici les surface des metaux nobles et de ceux de la fin de la serie de transition. Dans un premier temps, nous nous interessons a la diffusion d'un simple adatome sur une surface metallique. Nous avons, entre autres, mis en evidence l'apparition d'une correlation entre evenements successifs lorsque la temperature est comparable a la barriere de diffusion, i.e., la diffusion ne peut pas etre associee a une marche aleatoire. Nous proposons un modele phenomenologique simple qui reproduit bien les resultats des simulations. Ces calculs nous ont aussi permis de montrer que la diffusion obeit a la loi de Meyer-Neldel. Cette loi stipule que, pour un processus active, le prefacteur augmente exponentiellement avec la barriere. En plus, ce travail permet de clarifier l'origine physique de cette loi. En comparant les resultats dynamiques aux resultats statiques, on se rend compte que la barriere extraite des calculs dynamiques est essentiellement la meme que celle obtenue par une approche statique, beaucoup plus simple. On peut donc obtenir cette barriere a l'aide de methodes plus precises, i.e., ab initio, comme la theorie de la fonctionnelle de la densite, qui sont aussi malheureusement beaucoup plus lourdes. C'est ce que nous avons fait pour plusieurs systemes metalliques. Nos resultats avec cette derniere approche se comparent tres bien aux resultats experimentaux. Nous nous sommes attardes plus longuement a la surface (111) du platine. Cette surface regorge de particularites interessantes, comme la forme d'equilibre non-hexagonale des i lots et deux sites d'adsorption differents pour l'adatome. De plus, des calculs ab initio precedents n'ont pas reussi a confirmer la
Han, Yong; Evans, James W.
2015-10-28
Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C{sub 6}-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ∼0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. This in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001)
Han, Yong; Evans, James W.
2015-10-27
Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom inmore » the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).« less
Han, Yong; Evans, James W.
2015-10-27
Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).
NASA Astrophysics Data System (ADS)
Yang, Jianyu; Hu, Wangyu; Wu, Yurong; Dai, Xiongying
2012-06-01
The structure of nickel (Ni), iron (Fe), and magnesium (Mg) adatoms on the aluminum (Al) truncated octahedron is studied using molecular dynamics and the analytic embedded atom method. First, the energy barriers of several typical diffusion processes of Ni, Fe, and Mg adatoms on the Al truncated octahedral cluster were calculated using the nudged elastic band method. The calculated energy barriers were found to be related to the surface energy and atomic radius of the adatom and substrate atom. The result shows that the incorporation of Ni and Fe atoms into Al core easily occurs, and the Mg atom should segregate at the surface of the Al cluster. Thus, the growth of Ni, Fe and Mg on the Al truncated octahedron with 1289 atoms was simulated at several temperatures. In the Ni-Al and Fe-Al cases, the core-shell structure was not obtained. For the Mg-Al system, a good Mg shell on the Al core was found at lower temperatures, and an almost perfect truncated octahedron with more Al shells emerged with an increase in temperature.
Karim, Altaf; Kara, Abdelkader; Trushin, Oleg; Rahman, Talat S
2011-11-23
The diffusion of two-dimensional adatom-islands (up to 100 atoms) on Cu(111) has been studied, using the self-learning kinetic Monte Carlo method (Trushin et al 2005 Phys. Rev. B 72 115401). A variety of multiple- and single-atom processes are revealed in the simulations, and the size dependences of the diffusion coefficients and effective diffusion barriers are calculated for each. From the tabulated frequencies of events found in the simulation, we show a crossover from diffusion due to the collective motion of the island to a regime in which the island diffuses through periphery-dominated mass transport. This crossover occurs for island sizes between 13 and 19 atoms. For islands containing 19-100 atoms the scaling exponent is 1.5, which is in good agreement with previous work. The diffusion of islands containing 2-13 atoms can be explained primarily on the basis of a linear increase of the barrier for the collective motion with the size of the island.
Diffusion length and solar cell efficiency
NASA Astrophysics Data System (ADS)
Huber, D.; Wahlich, R.; Bachmaier, A.
The diffusion length of the minority carriers of a solar cell defines the appropriate technology which should be applied for the solar cell fabrication. Back surface techniques only pay off if the diffusion length is long enough. Monocrystalline material with different lifetime killing defects was investigated and an experimental correlation between the diffusion length measured on the unprocessed wafer and the efficiency of the finished cell could be established.
NASA Astrophysics Data System (ADS)
Chen, Zhi-Hui; Yu, Zhong-Yuan; Lu, Peng-Fei; Liu, Yu-Min
2009-10-01
Depositions of Si, Ge and C atoms onto a preliminary Si (001) substrate at different temperatures are investigated by using the molecular dynamics method. The mechanism of atomic self-assembling occurring locally on the flat terraces between steps is suggested. Diffusion and arrangement patterns of adatoms at different temperatures are observed. At 900 K, the deposited atoms are more likely to form dimers in the perpendicular [110] direction due to the more favourable movement along the perpendicular [110] direction. C adatoms are more likely to break or reconstruct the dimers on the substrate surface and have larger diffusion distances than Ge and Si adatoms. Exchange between C adatoms and substrate atoms are obvious and the epitaxial thickness is small. Total potential energies of adatoms and substrate atoms involved in the simulation cell are computed. When a newly arrived adatom reaches the stable position, the potential energy of the system will decrease and the curves turns into a ladder-like shape. It is found that C adatoms can lead to more reduction of the system energy and the potential energy of the system will increase as temperature increases.
NASA Astrophysics Data System (ADS)
Bukas, Vanessa J.; Reuter, Karsten
2016-09-01
We augment ab initio molecular dynamics simulations with a quantitative account of phononic dissipation to study the hyperthermal adsorbate dynamics resulting from a noninstantaneous energy dissipation during exothermic surface chemical reactions. Comparing the hot adatom diffusion ensuing O2 dissociation over Pd(100) and Pd(111) we find experimentally accessible product end distances to form a rather misleading measure for the lifetime of this hyperthermal state. The lifetime is particularly long at Pd(111) where a random-walk-type diffusion leads only to small net displacements. A detailed phonon analysis rationalizes the slow equilibration through long-lived Rayleigh mode excitations that spatially confine the released energy within a nanoscopic "hot spot" around the impingement region.
Connecting molecular structure and exciton diffusion length in rubrene derivatives.
Mullenbach, Tyler K; McGarry, Kathryn A; Luhman, Wade A; Douglas, Christopher J; Holmes, Russell J
2013-07-19
Connecting molecular structure and exciton diffusion length in rubrene derivatives demonstrates how the diffusion length of rubrene can be enhanced through targeted functionalization aiming to enhance self-Förster energy transfer. Functionalization adds steric bulk, forcing the molecules farther apart on average, and leading to increased photoluminescence efficiency. A diffusion length enhancement greater than 50% is realized over unsubstituted rubrene. PMID:23754475
A novel method to evaluate spin diffusion length of Pt
NASA Astrophysics Data System (ADS)
Zhang, Yan-qing; Sun, Niu-yi; Che, Wen-ru; Shan, Rong; Zhu, Zhen-gang
2016-05-01
Spin diffusion length of Pt is evaluated via proximity effect of spin orbit coupling (SOC) and anomalous Hall effect (AHE) in Pt/Co2FeAl bilayers. By varying the thicknesses of Pt and Co2FeAl layer, the thickness dependences of AHE parameters can be obtained, which are theoretically predicted to be proportional to the square of the SOC strength. According to the physical image of the SOC proximity effect, the spin diffusion length of Pt can easily be identified from these thickness dependences. This work provides a novel method to evaluate spin diffusion length in a material with a small value.
Long Minority Carrier Diffusion Lengths in Bridged Silicon Nanowires
NASA Astrophysics Data System (ADS)
Yu, Dong; Triplett, Mark; Yang, Yiming; Leonard, Francois; Talin, Alec; Islam, Saif
2015-03-01
Nanowires have large surface areas which create new challenges for their optoelectronic applications. Lithographic processes involved in device fabrication and substrate interfaces can lead to surface defects and substantially reduce charge carrier lifetimes and diffusion lengths. Here, we show that using a bridging method to suspend pristine nanowires allows for circumventing detrimental fabrication steps and interfacial effects associated with planar device architectures. We report electron diffusion lengths up to 2.7 μm in bridged silicon nanowire devices, much longer than previously reported values for silicon nanowires with a diameter of 100 nm. Strikingly, electron diffusion lengths are reduced to only 45 nm in planar devices incorporating nanowires grown under the same conditions. The highly scalable and low-cost silicon nano-bridge devices with the demonstrated long diffusion lengths may find exciting applications in photovoltaics, image sensing and photodetectors. DMR-1310678, CMMI-1235592, DEAC01-94-AL85000.
Long minority carrier diffusion lengths in bridged silicon nanowires.
Triplett, M; Yang, Y; Léonard, F; Talin, A Alec; Islam, M Saif; Yu, D
2015-01-14
Nanowires have large surface areas that create new challenges for their optoelectronic applications. Lithographic processes involved in device fabrication and substrate interfaces can lead to surface defects and substantially reduce charge carrier lifetimes and diffusion lengths. Here, we show that using a bridging method to suspend pristine nanowires allows for circumventing detrimental fabrication steps and interfacial effects associated with planar device architectures. We report electron diffusion lengths up to 2.7 μm in bridged silicon nanowire devices, much longer than previously reported values for silicon nanowires with a diameter of 100 nm. Strikingly, electron diffusion lengths are reduced to only 45 nm in planar devices incorporating nanowires grown under the same conditions. The highly scalable silicon nanobridge devices with the demonstrated long diffusion lengths may find exciting applications in photovoltaics, sensing, and photodetectors.
Measurement of radon diffusion length in thin membranes.
Malki, A; Lavi, N; Moinester, M; Nassar, H; Neeman, E; Piasetzky, E; Steiner, V
2012-07-01
Building regulations in Israel require the insulating of buildings against radon (222)Rn penetration from soil. In radon-prone areas membranes stretched between the soil and the building foundation are used, together with sealing other possible penetration routes. Designing the radon mitigation procedure requires checking that all sealing materials are practically, radon tight, having a thickness of at least three times the radon diffusion length. In this work, a very simple technique to evaluate the radon diffusion length in thin membranes, using a radon source of known activity and an activated charcoal canister as radon detector is presented. The theoretical formalism and measurement results for polyethylene membranes of different densities obtained in a recent comparison exercise are presented. PMID:22232779
The Reactive-Diffusive Length of OH Radical in Squalane
NASA Astrophysics Data System (ADS)
Lee, L.; Wilson, K. R.
2015-12-01
With the technique of core-shell particle configuration, we have measured the radical penetration length in a reactive matrix by observing the transmission efficiency of OH radical through squalane shell of various thickness ranging from 0 nm (without coating) to 16 nm. The result indicates a penetration depth of 2.2 nm. Our data suggest that the OH concentration profile in squalane as a function of the distance from the squalane/air interface can be satisfactorily described by the analytical solution to diffusion equation with an added chemical loss term experienced by the OH radical. This allowed an almost unambiguous determination of either OH diffusivity or OH reactivity given that one of the value is known in systems where radical chain propagation is not a significant factor and can shed new lights on the lifetime alteration of particulate matters in the atmosphere where possible coating processes are abundant.
Long Spin Diffusion Length in Few-Layer Graphene Flakes
NASA Astrophysics Data System (ADS)
Yan, W.; Phillips, L. C.; Barbone, M.; Hämäläinen, S. J.; Lombardo, A.; Ghidini, M.; Moya, X.; Maccherozzi, F.; van Dijken, S.; Dhesi, S. S.; Ferrari, A. C.; Mathur, N. D.
2016-09-01
We report a spin valve with a few-layer graphene flake bridging highly spin-polarized La0.67Sr0.33MnO3 electrodes, whose surfaces are kept clean during lithographic definition. Sharp magnetic switching is verified using photoemission electron microscopy with x-ray magnetic circular dichroism contrast. A naturally occurring high interfacial resistance ˜12 M Ω facilitates spin injection, and a large resistive switching (0.8 M Ω at 10 K) implies a 70 - 130 μ m spin diffusion length that exceeds previous values obtained with sharp-switching electrodes.
NASA Astrophysics Data System (ADS)
Lunt, Richard R.; Giebink, Noel C.; Belak, Anna A.; Benziger, Jay B.; Forrest, Stephen R.
2009-03-01
We demonstrate spectrally resolved photoluminescence quenching as a means to determine the exciton diffusion length of several archetype organic semiconductors used in thin film devices. We show that aggregation and crystal orientation influence the anisotropy of the diffusion length for vacuum-deposited polycrystalline films. The measurement of the singlet diffusion lengths is found to be in agreement with diffusion by Förster transfer, whereas triplet diffusion occurs primarily via Dexter transfer.
Metal intercalation-induced selective adatom mass transport on graphene
Liu, Xiaojie; Wang, Cai -Zhuang; Hupalo, Myron; Lin, Hai -Qing; Ho, Kai -Ming; Thiel, Patricia A.; Tringides, Michael C.
2016-03-29
Recent experiments indicate that metal intercalation is a very effective method to manipulate the graphene-adatom interaction and control metal nanostructure formation on graphene. A key question is mass transport, i.e., how atoms deposited uniformly on graphene populate different areas depending on the local intercalation. Using first-principles calculations, we show that partially intercalated graphene, with a mixture of intercalated and pristine areas, can induce an alternating electric field because of the spatial variations in electron doping, and thus, an oscillatory electrostatic potential. As a result, this alternating field can change normal stochastic adatom diffusion to biased diffusion, leading to selective massmore » transport and consequent nucleation, on either the intercalated or pristine areas, depending on the charge state of the adatoms.« less
NASA Astrophysics Data System (ADS)
Sathiyanarayanan, Rajesh; Einstein, T. L.
2009-08-01
We have parameterized the various interactions between Cu adatoms on Cu(1 1 0) using density-functional theory based ab-initio calculations. Our results indicate that in addition to pair interactions, 3-adatom and 4-adatom interactions of significant strengths are present in this system. This further stresses the importance of multi-site interactions in constructing a complete lattice-gas picture. Even though adding these multi-site interactions leads to good convergence in interaction energies, we find that some multi-site interactions are very sensitive to adatom relaxations. This makes the application of a simple lattice-gas picture inadequate for such surfaces. We also parameterize adatom interactions on this surface using the recently developed connector model. The connector model parameterization is as efficient as the parameterization using lattice-gas model. Further, we present diffusion barriers for nearest-neighbor (NN) and next-nearest-neighbor (NNN) hops on this surface.
Diffusion length in nanoporous TiO{sub 2} films under above-band-gap illumination
Park, J. D.; Son, B. H.; Park, J. K.; Kim, Sang Yong; Park, Ji-Yong; Lee, Soonil; Ahn, Y. H.
2014-06-15
We determined the carrier diffusion lengths in TiO{sub 2} nanoporous layers of dye-sensitized solar cells by using scanning photocurrent microscopy using an ultraviolet laser. Here, we excited the carrier directly in the nanoporous layers where the diffusion lengths were found to 140 μm as compared to that of visible illumination measured at 90 μm. The diffusion length decreased with increasing laser modulation frequency, in which we determined the electron lifetimes and the diffusion coefficients for both visible and UV illuminations. The diffusion lengths have been studied in terms of the sintering temperatures for both cells with and without binding molecules. We found a strong correlation between the diffusion length and the overall light-to-current conversion efficiency, proving that improving the diffusion length and hence the interparticle connections, is key to improving cell efficiency.
Mechanism of acoustically induced diffusional structuring of surface adatoms
Wu, Chengping; Zhigilei, Leonid V.; Zaitsev, Vladimir Yu.
2013-11-25
Physical mechanisms of time-averaged structuring of adatoms induced by a standing surface acoustic wave (SAW) on a solid substrate are studied. Despite some similarity with conventional mechanisms based on averaging of fast oscillation-type motion or radiation-pressure effects, we demonstrate that, for diffusional (i.e., strongly damped) adatom motion, the origin of time-averaged structuring is essentially different. The proposed analytical model and kinetic Monte–Carlo (kMC) simulations reveal several distinct structuring regimes and directly relate them to the transient modification of diffusion barriers and adiabatic temperature variations induced by SAW strains.
Scale Length of Mantle Heterogeneities: Helium Diffusion Constraints
NASA Astrophysics Data System (ADS)
Hart, S.; Kurz, M.; Wang, Z.
2007-12-01
will be >20 Ra. In essence, slabs may lose their He signature by diffusion, but it will remain recorded in the surrounding mantle; i.e. veins may run but they can't hide! For both enriched and depleted upper mantle slabs, sampled along a spreading ridge, the 3/4He variability on 10-20 km scale lengths would be easily observed; even massive along-axis melt mixing (50-100 km) would not hide these signatures. We have evaluated 3 extant ridge-crest data sets in this context (MAR 0-47S; EPR 19-23S; SWIR 16- 24E), with a view to defining scale-lengths of He isotope variability. The average 3/4He variability for these 3 areas is 0.47, 0.19 and 0.21 Ra (±1 sigma); a well-sampled sub-area on the MAR (25.7-26.5S) is 0.13 Ra. There is a monotonic variation along the SWIR, from 6.6 to 7.3 Ra; variability about a best fit line is 0.09 Ra (maximum deviation is only 0.20 Ra). At the smallest scale, a single 20 km EPR flow field shows similar variability (0.29 Ra) to the above examples. Since these ridges range from slow to very fast-spreading, the variability in size of along- axis magma chambers will lead inevitably to various scales of melt averaging. We conclude that these ridge areas are not sampling mantle that contains enriched veins or recycled oceanic crust slabs of any significant size. This is especially clear for the 500 km domain on the SWIR, where very small He variability is observed, superimposed on a large scale He gradient. In particular, the view of the upper mantle as a ubiquitous mixture of veins and depleted matrix, with MORB always representing an averaging of this mixture, appears untenable.
Studies of minority carrier diffusion length increase in p-type ZnO:Sb
Lopatiuk-Tirpak, O.; Chernyak, L.; Xiu, F. X.; Liu, J. L.; Jang, S.; Ren, F.; Pearton, S. J.; Gartsman, K.; Feldman, Y.; Osinsky, A.; Chow, P.
2006-10-15
Minority electron diffusion length was measured in p-type, Sb-doped ZnO as a function of temperature using the electron beam induced current technique. A thermally induced increase of electron diffusion length was determined to have an activation energy of 184{+-}10 meV. Irradiation with a low energy (5 kV) electron beam also resulted in an increase of diffusion length with a similar activation energy (219{+-}8 meV). Both phenomena are suggested to involve a Sb{sub Zn}-2V{sub Zn} acceptor complex. Saturation and relaxation dynamics of minority carrier diffusion length are explored. Details of a possible mechanism for diffusion length increase are presented.
Fossil rocks of slow earthquake detected by thermal diffusion length
NASA Astrophysics Data System (ADS)
Hashimoto, Yoshitaka; Morita, Kiyohiko; Okubo, Makoto; Hamada, Yohei; Lin, Weiren; Hirose, Takehiro; Kitamura, Manami
2016-04-01
Fault motion has been estimated by diffusion pattern of frictional heating recorded in geology (e.g., Fulton et al., 2012). The same record in deeper subduction plate interface can be observed from micro-faults in an exhumed accretionary complex. In this study, we focused on a micro-fault within the Cretaceous Shimanto Belt, SW Japan to estimate fault motion from the frictional heating diffusion pattern. A carbonaceous material concentrated layer (CMCL) with ~2m of thickness is observed in study area. Some micro-faults cut the CMCL. Thickness of a fault is about 3.7mm. Injection veins and dilatant fractures were observed in thin sections, suggesting that the high fluid pressure was existed. Samples with 10cm long were collected to measure distribution of vitrinite reflectance (Ro) as a function of distance from the center of micro-fault. Ro of host rock was ~1.0%. Diffusion pattern was detected decreasing in Ro from ~1.2%-~1.1%. Characteristic diffusion distance is ~4-~9cm. We conducted grid search to find the optimal frictional heat generation per unit area per second (Q (J/m^2/s), the product of friction coefficient, normal stress and slip velocity) and slip duration (t(s)) to fit the diffusion pattern. Thermal diffusivity (0.98*10^8m^2/s) and thermal conductivity (2.0 w/mK) were measured. In the result, 2000-2500J/m^2/s of Q and 63000-126000s of t were estimated. Moment magnitudes (M0) of slow earthquakes (slow EQs) follow a scaling law with slip duration and its dimension is different from that for normal earthquakes (normal EQ) (Ide et al., 2007). The slip duration estimated in this study (~10^4-~10^5s) consistent with 4-5 of M0, never fit to the scaling law for normal EQ. Heat generation can be inverted from 4-5 of M0, corresponding with ~10^8-~10^11J, which is consistent with rupture area of 10^5-10^8m2 in this study. The comparisons in heat generation and slip duration between geological measurements and geophysical remote observations give us the
Measurement of minority carrier diffusion lengths in GaAs nanowires by a nanoprobe technique
NASA Astrophysics Data System (ADS)
Darbandi, A.; Watkins, S. P.
2016-07-01
Minority carrier diffusion lengths in both p-type and n-type GaAs nanowires were studied using electron beam induced current by means of a nanoprobe technique without lithographic processing. The diffusion lengths were determined for Au/GaAs rectifying junctions as well as axial p-n junctions. By incorporating a thin lattice-matched InGaP passivating shell, a 2-fold enhancement in the minority carrier diffusion lengths and one order of magnitude reduction in the surface recombination velocity were achieved.
Cudzinovic, M; Sopori, B
1995-11-01
As was noted in the cover letter that accompanied the samples, the eleven bare silicon samples were from various manufacturers. Table I lists the codes for the samples and the manufacturer of each sample. It also notes if the sample was single or poly-crystalline. The samples had been polished on one side before being sent out for measurements, but no further processing was done. The participants of the study were asked to measure either the lifetime or diffusion length of each of the samples using their standard procedure. Table II shows the experimental conditions used by the groups who measured diffusion length. All the diffusion length measurements were performed using the Surface Photovoltage method (SPV). Table M shows the experimental conditions for the lifetime measurements. All the lifetime measurements were made using the Photoconductance Decay method (PCD) under low level injection. These tables show the diameter of the spot size used during the measurement (the effective sampling area), the locations where measurements were taken, and the number of measurements taken at each location. Table N shows the results of the measurements. The table is divided into diffusion length and lifetime measurements for each sample. The values listed are the average values reported by each group. One of the immediate artifacts seen in the data is the large variation in the lifetime measurements. The values from MIT and Mobil are generally close. However, the measurements from NCSU are typically an order of magnitude lower.
Mason, Daniel R.; Gramotnev, Dmitri K.; Gramotnev, Galina
2008-09-15
We conduct the detailed numerical investigation of a nanomanipulation and nanofabrication technique--thermal tweezers with dynamic evolution of surface temperature, caused by absorption of interfering laser pulses in a thin metal film or any other absorbing surface. This technique uses random Brownian forces in the presence of strong temperature modulation (surface thermophoresis) for effective manipulation of particles/adatoms with nanoscale resolution. Substantial redistribution of particles on the surface is shown to occur with the typical size of the obtained pattern elements of {approx}100 nm, which is significantly smaller than the wavelength of the incident pulses used (532 nm). It is also demonstrated that thermal tweezers based on surface thermophoresis of particles/adatoms are much more effective in achieving permanent high maximum-to-minimum concentration ratios than bulk thermophoresis, which is explained by the interaction of diffusing particles with the periodic lattice potential on the surface. Typically required pulse regimes including pulse lengths and energies are also determined. The approach is applicable for reproducing any holographically achievable surface patterns, and can thus be used for engineering properties of surfaces including nanopatterning and design of surface metamaterials.
Estimation and calibration of the water isotope differential diffusion length in ice core records
NASA Astrophysics Data System (ADS)
van der Wel, G.; Fischer, H.; Oerter, H.; Meyer, H.; Meijer, H. A. J.
2015-08-01
Palaeoclimatic information can be retrieved from the diffusion of the stable water isotope signal during firnification of snow. The diffusion length, a measure for the amount of diffusion a layer has experienced, depends on the firn temperature and the accumulation rate. We show that the estimation of the diffusion length using power spectral densities (PSDs) of the record of a single isotope species can be biased by uncertainties in spectral properties of the isotope signal prior to diffusion. By using a second water isotope and calculating the difference in diffusion lengths between the two isotopes, this problem is circumvented. We study the PSD method applied to two isotopes in detail and additionally present a new forward diffusion method for retrieving the differential diffusion length based on the Pearson correlation between the two isotope signals. The two methods are discussed and extensively tested on synthetic data which are generated in a Monte Carlo manner. We show that calibration of the PSD method with this synthetic data is necessary to be able to objectively determine the differential diffusion length. The correlation-based method proves to be a good alternative for the PSD method as it yields precision equal to or somewhat higher than the PSD method. The use of synthetic data also allows us to estimate the accuracy and precision of the two methods and to choose the best sampling strategy to obtain past temperatures with the required precision. In addition to application to synthetic data the two methods are tested on stable-isotope records from the EPICA (European Project for Ice Coring in Antarctica) ice core drilled in Dronning Maud Land, Antarctica, showing that reliable firn temperatures can be reconstructed with a typical uncertainty of 1.5 and 2 °C for the Holocene period and 2 and 2.5 °C for the last glacial period for the correlation and PSD method, respectively.
The Reactive-Diffusive Length of OH and Ozone in Model Organic Aerosols.
Lee, Lance; Wilson, Kevin
2016-09-01
A key step in the heterogeneous oxidation of atmospheric aerosols is the reaction of ozone (O3) and hydroxyl radicals (OH) at the gas-particle interface. The formation of reaction products and free radical intermediates and their spatial distribution inside the particle is a sensitive function of the length over which these oxidants diffuse prior to reaction. The reactive-diffusive length of OH and ozone at organic aerosol interfaces is determined by observing the change in the effective uptake coefficient for size-selected model aerosols comprising a reactive core and a thin nanometer-sized (0-12 nm) organic shell. The core and shell materials are selected so that they are immiscible and adopt an assumed core-shell configuration. The results indicate a reactive-diffusive length of 1.4 nm for hydroxyl (OH) radicals in squalane and 1.0 nm for ozone in squalene. Measurements for a purely diffusive system allow for an estimate for diffusion constant (1.6 × 10(-6) cm(2)/s) of ozone in squalane to be determined. The reactive-diffusive length offers a simple first order estimate of how shielding of aerosols by immiscible layers can alter estimates of oxidative lifetimes of aerosols in the atmosphere. PMID:27509443
The Reactive-Diffusive Length of OH and Ozone in Model Organic Aerosols.
Lee, Lance; Wilson, Kevin
2016-09-01
A key step in the heterogeneous oxidation of atmospheric aerosols is the reaction of ozone (O3) and hydroxyl radicals (OH) at the gas-particle interface. The formation of reaction products and free radical intermediates and their spatial distribution inside the particle is a sensitive function of the length over which these oxidants diffuse prior to reaction. The reactive-diffusive length of OH and ozone at organic aerosol interfaces is determined by observing the change in the effective uptake coefficient for size-selected model aerosols comprising a reactive core and a thin nanometer-sized (0-12 nm) organic shell. The core and shell materials are selected so that they are immiscible and adopt an assumed core-shell configuration. The results indicate a reactive-diffusive length of 1.4 nm for hydroxyl (OH) radicals in squalane and 1.0 nm for ozone in squalene. Measurements for a purely diffusive system allow for an estimate for diffusion constant (1.6 × 10(-6) cm(2)/s) of ozone in squalane to be determined. The reactive-diffusive length offers a simple first order estimate of how shielding of aerosols by immiscible layers can alter estimates of oxidative lifetimes of aerosols in the atmosphere.
Diffusion length and resistivity distribution characteristics of silicon wafer by photoluminescence
Baek, Dohyun; Lee, Jaehyeong; Choi, Byoungdeog
2014-10-15
Highlights: • Analytical photoluminescence efficiency calculation and PL intensity ratio method are developed. • Wafer resistivity and diffusion length characteristics are investigated by PL intensity ratio. • PL intensity is well correlated with resistivity, diffusion length or defect density on wafer measurement. - Abstract: Photoluminescence is a convenient, contactless method to characterize semiconductors. Its use for room-temperature silicon characterization has only recently been implemented. We have developed the PL efficiency theory as a function of substrate doping densities, bulk trap density, photon flux density, and reflectance and compared it with experimental data initially for bulk Si wafers. New developed PL intensity ratio method is able to predict the silicon wafer properties, such as doping densities, minority carrier diffusion length and bulk trap density.
Lifetime and diffusion length measurements on silicon material and solar cells
NASA Technical Reports Server (NTRS)
Othmer, S.; Chen, S. C.
1978-01-01
Experimental methods were evaluated for the determination of lifetime and diffusion length in silicon intentionally doped with potentially lifetime-degrading impurities found in metallurgical grade silicon, impurities which may be residual in low-cost silicon intended for use in terrestrial flat-plate arrays. Lifetime measurements were made using a steady-state photoconductivity method. Diffusion length determinations were made using short-circuit current measurements under penetrating illumination. Mutual consistency among all experimental methods was verified, but steady-state photoconductivity was found preferable to photoconductivity decay at short lifetimes and in the presence of traps. The effects of a number of impurities on lifetime in bulk material, and on diffusion length in cells fabricated from this material, were determined. Results are compared with those obtained using different techniques. General agreement was found in terms of the hierarchy of impurities which degrade the lifetime.
Laser interferometric method for determining the carrier diffusion length in semiconductors
Manukhov, V. V.; Fedortsov, A. B.; Ivanov, A. S.
2015-09-15
A new laser interferometric method for measuring the carrier diffusion length in semiconductors is proposed. The method is based on the interference–absorption interaction of two laser radiations in a semiconductor. Injected radiation generates additional carriers in a semiconductor, which causes a change in the material’s optical constants and modulation of the probing radiation passed through the sample. When changing the distance between carrier generation and probing points, a decrease in the carrier concentration, which depends on the diffusion length, is recorded. The diffusion length is determined by comparing the experimental and theoretical dependences of the probe signal on the divergence of the injector and probe beams. The method is successfully tested on semiconductor samples with different thicknesses and surface states and can be used in scientific research and the electronics industry.
Probing sub-alveolar length scales with hyperpolarized-gas diffusion NMR
NASA Astrophysics Data System (ADS)
Miller, Wilson; Carl, Michael; Mooney, Karen; Mugler, John; Cates, Gordon
2009-05-01
Diffusion MRI of the lung is a promising technique for detecting alterations of normal lung microstructure in diseases such as emphysema. The length scale being probed using this technique is related to the time scale over which the helium-3 or xenon-129 diffusion is observed. We have developed new MR pulse sequence methods for making diffusivity measurements at sub-millisecond diffusion times, allowing one to probe smaller length scales than previously possible in-vivo, and opening the possibility of making quantitative measurements of the ratio of surface area to volume (S/V) in the lung airspaces. The quantitative accuracy of simulated and experimental measurements in microstructure phantoms will be discussed, and preliminary in-vivo results will be presented.
Si-adatom kinetics in defect mediated growth of multilayer epitaxial graphene films on 6H-SiC
NASA Astrophysics Data System (ADS)
Shetu, Shamaita S.; Omar, S. U.; Daniels, K. M.; Daas, B.; Andrews, J.; Ma, S.; Sudarshan, T. S.; Chandrashekhar, M. V. S.
2013-10-01
We present a quantitative study on the growth of multilayer epitaxial graphene (EG) by solid-state decomposition of SiC on polar (c-plane Si and C-face) and non-polar (a and m planes) 6H-SiC faces, with distinctly different defect profiles. The growth rates are slower than expected from a mechanism that involves Si loss from an open and free surface, and much faster than expected for the nucleation of a defect-free EG layer, implying that defects in the EG play a critical role in determining the growth kinetics. We show that a Deal-Grove growth model, which assumes vertical diffusion of Si through these defects as the limiting factor for EG growth, is unsuitable for describing multilayer growth. Instead, we introduce a lateral "adatom" diffusion mechanism for Si out-diffusion, based on a modified Burton, Cabrera, and Frank model. In this model, defects in epitaxial graphene serve as sinks for Si desorption loss, taking the place of reactive sites, such as step edges for nucleation and growth of crystals produced with external precursors. This analysis shows that the surface diffusion of Si atoms to the grain boundaries of EG limits the growth on c-plane C-face and non-polar faces, rather than the purely vertical diffusion of Si through the grain boundaries described in the Deal-Grove model. However, for Si-face c-plane growth, diffusion of Si to the defects, as well as desorption of Si at the grain boundaries are both relevant, leading to a different temperature trend compared with the other faces. This distinct qualitative difference is ascribed to point-defects in Si-face growth, as contrasted with line defects/grain boundaries on the other faces. The size of the EG grains correlates with the surface diffusion length extracted from this model. The longer a Si adatom diffuses, the higher the quality of the grown EG film, an insight that provides valuable information on Si adatom kinetics for optimizing EG growth. We discuss the applicability of this model to
NASA Astrophysics Data System (ADS)
Rinaldi, C.; Bertoli, S.; Asa, M.; Baldrati, L.; Manzoni, C.; Marangoni, M.; Cerullo, G.; Bianchi, M.; Sordan, R.; Bertacco, R.; Cantoni, M.
2016-10-01
The measurement of the spin diffusion length and/or lifetime in semiconductors is a key issue for the realisation of spintronic devices, exploiting the spin degree of freedom of carriers for storing and manipulating information. In this paper, we address such parameters in germanium (0 0 1) at room temperature (RT) by three different measurement methods. Exploiting optical spin orientation in the semiconductor and spin filtering across an insulating MgO barrier, the dependence of the resistivity on the spin of photo-excited carriers in Fe/MgO/Ge spin photodiodes (spin-PDs) was electrically detected. A spin diffusion length of 0.9 ± 0.2 µm was obtained by fitting the photon energy dependence of the spin signal by a mathematical model. Electrical techniques, comprising non-local four-terminal and Hanle measurements performed on CoFeB/MgO/Ge lateral devices, led to spin diffusion lengths of 1.3 ± 0.2 µm and 1.3 ± 0.08 µm, respectively. Despite minor differences due to experimental details, the order of magnitude of the spin diffusion length is the same for the three techniques. Although standard electrical methods are the most employed in semiconductor spintronics for spin diffusion length measurements, here we demonstrate optical spin orientation as a viable alternative for the determination of the spin diffusion length in semiconductors allowing for optical spin orientation.
NASA Astrophysics Data System (ADS)
Bjorgaard, Josiah A.; Köse, Muhammet E.
2013-05-01
A new method for measuring exciton diffusion length in nanoparticles (NPs) of conjugated materials is presented. Cationic acceptor dyes are used to quench the photoluminescence in NPs of the prototypical conjugated polymer poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV). Amplified quenching of MEH-PPV emission is observed with an initial Stern-Volmer constant in excess of 105 M-1. Stern-Volmer plots are nonlinear with two distinct quenching regimes, hinting saturation of NP surfaces with acceptor molecules at some point during titration experiments. Using an assumption that highly efficient quenching of excitons occurs after saturation with acceptors at the NP surfaces, the amount of maximum emission quenching can be compared with a model of exciton diffusion to determine exciton diffusion length. By assuming quenching efficiency above 80%, the measured three dimensional exciton diffusion length is estimated to be 12 ± 1 nm. This result is in the lower region of reported values ranging from 10 to 25 nm in MEH-PPV thin films. Both the derived model and the experimental methodology allow robust measurement of exciton diffusion length for any luminescent conjugated material from which NPs can be prepared.
The length distribution function of semiconductor filamentary nanocrystals
NASA Astrophysics Data System (ADS)
Dubrovskii, V. G.
2016-07-01
The length distribution function of semiconductor filamentary nanocrystals is analyzed based on the adsorption-diffusion growth model. It is demonstrated that the asymptotic distribution has a Gaussian shape. If the diffusion flux to the apex comes from the entire lateral surface, the average length increases exponentially with time, and the mean-square deviation is proportional to the average length (exponential growth regime). If the diffusion collection of adatoms is limited to the top of the crystal, the average length increases linearly and the mean-square deviation equals the square root of average length (linear Poisson growth regime). In real-world systems, transition from exponential to Poisson growth occurs at lengths of the order of the diffusion length of adatoms. The dispersion of the distribution is actually defined at the exponential stage. The general classification of length distributions of various crystals is given. It is demonstrated that self-induced GaN- and Ga-catalytic III-V filamentary nanocrystals should be more homogeneous than Au-catalytic ones.
NASA Technical Reports Server (NTRS)
Luke, K. L.; Von Roos, O.; Cheng, L.-J.
1985-01-01
A systematic and quantitative analysis is carried out to investigate the effects of the shape (point, cube, Gaussian) and size of the generation volume, the surface recombination velocity, and the diffusion length on the electron-beam-induced current (EBIC) and its derivative (DEIC). Thick homogeneously doped samples exhibiting diffusion lengths in the low micron and submicron range are considered. The results are presented in computed EBIC curves as a function of scanning distance and of the ratio true diffusion length/effective diffusion length. Shown using these curves are: (1) a simple and yet rigorous method for the determination of the true diffusion length, taking into consideration all of the factors cited above, (2) a method for the rapid determination of the surface recombination velocity, (3) the condition under which the source shape becomes insignificant, and (4) a new value for the lower limit of the diffusion length which can be determined by the EBOC technique.
Diffusion length measurements in solar cells: An analysis and comparison of techniques
NASA Technical Reports Server (NTRS)
Woollam, J. A.; Khan, A. A.; Soukup, R. J.; Hermann, A. M.
1982-01-01
A brief review of the major techniques for measuring minority carrier diffusion lengths in solar cells is given. Emphasis is placed on comparing limits of applicability for each method, especially as applied to silicon cells or to gallium arsenide cells, including the effects of radiation damage.
Zhu, Tong; Wan, Yan; Guo, Zhi; Johnson, Justin; Huang, Libai
2016-09-01
By direct imaging of singlet and triplet populations with ultrafast microscopy, it is shown that the triplet diffusion length and singlet fission yield can be simultaneously optimized for tetracene and its derivatives, making them ideal structures for application in bilayer solar cells. PMID:27348847
Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC
Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; Kucheyev, S. O.
2016-04-14
Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ~10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. Lastly, these results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.
Effective defect diffusion lengths in Ar-ion bombarded 3C-SiC
NASA Astrophysics Data System (ADS)
Bayu Aji, L. B.; Wallace, J. B.; Shao, L.; Kucheyev, S. O.
2016-05-01
Above room temperature, SiC exhibits pronounced processes of diffusion and interaction of radiation-generated point defects. Here, we use the recently developed pulsed ion beam method to measure effective defect diffusion lengths in 3C-SiC bombarded in the temperature range of 25–200 °C with 500 keV Ar ions. Results reveal a diffusion length of ∼10 nm, which exhibits a weak temperature dependence, changing from 9 to 13 nm with increasing temperature. These results have important implications for understanding and predicting radiation damage in SiC and for the development of radiation-resistant materials via interface-mediated defect reactions.
Length of intact plasma membrane determines the diffusion properties of cellular water
Eida, Sato; Van Cauteren, Marc; Hotokezaka, Yuka; Katayama, Ikuo; Sasaki, Miho; Obara, Makoto; Okuaki, Tomoyuki; Sumi, Misa; Nakamura, Takashi
2016-01-01
Molecular diffusion in a boundary-free medium depends only on the molecular size, the temperature, and medium viscosity. However, the critical determinant of the molecular diffusion property in inhomogeneous biological tissues has not been identified. Here, using an in vitro system and a high-resolution MR imaging technique, we show that the length of the intact plasma membrane is a major determinant of water diffusion in a controlled cellular environment and that the cell perimeter length (CPL) is sufficient to estimate the apparent diffusion coefficient (ADC) of water in any cellular environment in our experimental system (ADC = −0.21 × CPL + 1.10). We used this finding to further explain the different diffusion kinetics of cells that are dying via apoptotic or non-apoptotic cell death pathways exhibiting characteristic changes in size, nuclear and cytoplasmic architectures, and membrane integrity. These results suggest that the ADC value can be used as a potential biomarker for cell death. PMID:26750342
Heavy adatoms and Anderson localization in graphene
NASA Astrophysics Data System (ADS)
Garcia Aguilar, Jose H.; Uchoa, Bruno; Covaci, Lucian; Rappoport, Tatiana G.
2014-03-01
We analyze electronic localization in a graphene layer doped with adatoms sitting in the center of the honeycomb hexagon, as happens with the heaviest adatoms. In this configuration, the hybridization between the adatom orbitals and its neighboring carbon atoms mediate hopping processes that connect all six vertices of the honeycomb hexagon around the impurity. The amplitudes of the hopping depend on the symmetry of the orbital that hybridizes with graphene, leading to an orbital-dependent ``plaquette disorder''. To capture the physics of localization, we propose an effective graphene-only Hamiltonian that preserves the associated orbital symmetries and conduct a scaling analysis of the local density of states (LDOS) for large system sizes. We show that adatoms that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms for which Anderson localization is suppressed, leading to an exotic quantum critical metallic state with large charge puddles, that localizes only at the Dirac point.
Yang, Yiming; Li, Jiao; Wu, Hengkui; Oh, Eunsoon; Yu, Dong
2012-11-14
We report a simple, controlled doping method for achieving n-type, intrinsic, and p-type lead sulfide (PbS) nanowires (NWs) grown by chemical vapor deposition without introducing any impurities. A wide range of carrier concentrations is realized by adjusting the ratio between the Pb and S precursors. The field effect electron mobility of n-type PbS NWs is up to 660 cm(2)/(V s) at room temperature, in agreement with a long minority carrier diffusion length measured by scanning photocurrent microscopy (SPCM). Interestingly, we have observed a strong dependence of minority carrier diffusion length on gate voltage, which can be understood by considering a carrier concentration dependent recombination lifetime. The demonstrated ambipolar doping of high quality PbS NWs opens up exciting avenues for their applications in photodetectors and photovoltaics.
Ompong, David; Singh, Jai
2015-04-27
We derived new expressions for the diffusion length of singlet and triplet excitons by using the Föster and Dexter transfer mechanisms, respectively, and have found that the diffusion lengths of singlet and triplet excitons are comparable. By using the Langevin recombination theory, we derived the rate of recombination of dissociated free charges into their excitonic states. We found that in some organic polymers the probabilities of recombination of free charge carriers back into the singlet and triplet states are approximately 65.6 and 34.4 %, respectively, indicating that Langevin-type recombination into triplet excitons in organic semiconductors is less likely. This implies that the creation of triplet excitons may be advantageous in organic solar cells, because this may lead to dissociated free charge carriers that can be collected at their respective electrodes, which should result in better conversion efficiency.
Minority carrier diffusion length and edge surface-recombination velocity in InP
NASA Technical Reports Server (NTRS)
Hakimzadeh, Roshanak; Bailey, Sheila G.
1993-01-01
A scanning electron microscope was used to obtain the electron-beam-induced current (EBIC) profiles in InP specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure the edge surface-recombination velocity. These values were used in a fit of the experimental EBIC data with a theoretical expression for normalized EBIC (Donolato, 1982) to obtain the electron (minority carrier) diffusion length.
Effects of Coaxial Air on Nitrogen-Diluted Hydrogen Jet Diffusion Flame Length and NOx Emission
Weiland, N.T.; Chen, R.-H.; Strakey, P.A.
2007-10-01
Turbulent nitrogen-diluted hydrogen jet diffusion flames with high velocity coaxial air flows are investigated for their NOx emission levels. This study is motivated by the DOE turbine program’s goal of achieving 2 ppm dry low NOx from turbine combustors running on nitrogen-diluted high-hydrogen fuels. In this study, effects of coaxial air velocity and momentum are varied while maintaining low overall equivalence ratios to eliminate the effects of recirculation of combustion products on flame lengths, flame temperatures, and resulting NOx emission levels. The nature of flame length and NOx emission scaling relationships are found to vary, depending on whether the combined fuel and coaxial air jet is fuel-rich or fuel-lean. In the absence of differential diffusion effects, flame lengths agree well with predicted trends, and NOx emissions levels are shown to decrease with increasing coaxial air velocity, as expected. Normalizing the NOx emission index with a flame residence time reveals some interesting trends, and indicates that a global flame strain based on the difference between the fuel and coaxial air velocities, as is traditionally used, is not a viable parameter for scaling the normalized NOx emissions of coaxial air jet diffusion flames.
Method and apparatus for determining minority carrier diffusion length in semiconductors
Goldstein, Bernard; Dresner, Joseph; Szostak, Daniel J.
1983-07-12
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. An unmodulated illumination 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. A vibrating Kelvin method-type probe electrode couples the SPV to a measurement system. The operating optical wavelength of an adjustable monochromator to compensate for the wavelength dependent sensitivity of a photodetector is selected to measure the illumination intensity (photon flux) on the silicon. Measurements of the relative photon flux for a plurality of wavelengths are plotted against the reciprocal of the optical absorption coefficient of the material. A linear plot of the data points is extrapolated to zero intensity. The negative intercept value on the reciprocal optical coefficient axis of the extrapolated linear plot is the diffusion length of the minority carriers.
Improvement of carrier diffusion length in silicon nanowire arrays using atomic layer deposition.
Kato, Shinya; Kurokawa, Yasuyoshi; Miyajima, Shinsuke; Watanabe, Yuya; Yamada, Akira; Ohta, Yoshimi; Niwa, Yusuke; Hirota, Masaki
2013-01-01
To achieve a high-efficiency silicon nanowire (SiNW) solar cell, surface passivation technique is very important because a SiNW array has a large surface area. We successfully prepared by atomic layer deposition (ALD) high-quality aluminum oxide (Al2O3) film for passivation on the whole surface of the SiNW arrays. The minority carrier lifetime of the Al2O3-depositedSiNW arrays with bulk silicon substrate was improved to 27 μs at the optimum annealing condition. To remove the effect of bulk silicon, the effective diffusion length of minority carriers in the SiNW array was estimated by simple equations and a device simulator. As a result, it was revealed that the effective diffusion length in the SiNW arrays increased from 3.25 to 13.5 μm by depositing Al2O3 and post-annealing at 400°C. This improvement of the diffusion length is very important for application to solar cells, and Al2O3 deposited by ALD is a promising passivation material for a structure with high aspect ratio such as SiNW arrays. PMID:23968156
Metals on graphene: correlation between adatom adsorption behavior and growth morphology
Liu, Xiaojie; Wang, Cai-Zhuang; Hupalo, Myron; Lu, Wencai; Tringides, Michael C.; Yao, Yongxin; Ho, Kai-Ming
2012-05-19
We present a systematic study of metal adatom adsorption on graphene by ab initio calculations. The calculations cover alkali metals, sp-simple metals, 3d and group 10 transition metals, noble metals, as well as rare earth metals. The correlation between the adatom adsorption properties and the growth morphology of the metals on graphene is also investigated. We show that the growth morphology is related to the ratio of the metal adsorption energy to its bulk cohesive energy (E(a)/E(c)) and the diffusion barrier (ΔE) of the metal adatom on graphene. Charge transfer, electric dipole and magnetic moments, and graphene lattice distortion induced by metal adsorption would also affect the growth morphologies of the metal islands. We also show that most of the metal nanostructures on graphene would be thermally stable against coarsening.
Taylor-Couette Flow with Hourglass Geometry of Varying Lengths Simulated by Reaction-Diffusion
NASA Astrophysics Data System (ADS)
Zhao, Yunjie; Halmstad, Andrew; Olsen, Thomas; Wiener, Richard
2008-11-01
Previously, we have observed chaotic formation of Taylor-Vortex pairs in Modified Taylor- Couette Flow with Hourglass Geometry. In the experiment, the chaotic formation in a shorter system has been restricted to a narrow band about the waist of the hourglass. Such behavior has been modeled by The Reaction-Diffusion equation, which has been previously studied, by Riecke and Paap. Their calculation suggested that quadrupling length of the system would lead to spatial chaos in the vortex formation. We present a careful recreation of this result and consider an intermediate length. We demonstrate that doubling the length should be sufficient to observe spatially chaotic behavior. Richard J. Wiener et al, Phys. Rev. E 55, 5489 (1997). H. Riecke and H.-G. Paap, Europhys. Lett. 14, 1235 (1991).
Adatom bond-induced geometric and electronic properties of passivated armchair graphene nanoribbons.
Lin, Yu-Tsung; Chung, Hsien-Ching; Yang, Po-Hua; Lin, Shih-Yang; Lin, Ming-Fa
2015-07-01
The geometric and electronic properties of passivated armchair graphene nanoribbons, enriched by strong chemical bonding between edge-carbons and various adatoms, are investigated by first-principle calculations. Adatom arrangements, bond lengths, charge distributions, and energy dispersions are dramatically changed by edge passivation. Elements with an atomic number of less than 20 are classified into three types depending on the optimal geometric structures: planar and non-planar structures, the latter of which are associated with specific arrangements and stacked configurations of adatoms. Especially, the nitrogen passivated nanoribbon is the most stable one with a heptagon-pentagon structure at the edges. The low-lying band structures are drastically varied, exhibiting non-monotonous energy dispersions and adatom-dominated bands. A relationship between energy gaps and ribbon widths no longer exists, and some adatoms further induce a semiconductor-metal transition. All the main characteristics are directly reflected in the density of states, revealing dip structures, plateaus, symmetric peaks, and square-root divergent asymmetric peaks. PMID:26051862
Zaikowski, Lori; Mauro, Gina; Bird, Matthew; Karten, Brianne; Asaoka, Sadayuki; Wu, Qin; Cook, Andrew R; Miller, John R
2015-06-18
Photoexcitation of conjugated poly-2,7-(9,9-dihexylfluorene) polyfluorenes with naphthylimide (NI) and anthraquinone (AQ) electron-acceptor end traps produces excitons that form charge transfer states at the end traps. Intramolecular singlet exciton transport to end traps was examined by steady state fluorescence for polyfluorenes of 17-127 repeat units in chloroform, dimethylformamide (DMF), tetrahydrofuran (THF), and p-xylene. End traps capture excitons and form charge transfer (CT) states at all polymer lengths and in all solvents. The CT nature of the end-trapped states is confirmed by their fluorescence spectra, solvent and trap group dependence, and DFT descriptions. Quantum yields of CT fluorescence are as large as 46%. This strong CT emission is understood in terms of intensity borrowing. Energies of the CT states from onsets of the fluorescence spectra give the depths of the traps which vary with solvent polarity. For NI end traps, the trap depths are 0.06 (p-xylene), 0.13 (THF), and 0.19 eV (CHCl3). For AQ, CT fluorescence could be observed only in p-xylene where the trap depth is 0.27 eV. Quantum yields, emission energies, charge transfer energies, solvent reorganization, and vibrational energies were calculated. Fluorescence measurements on chains >100 repeat units indicate that end traps capture ∼50% of the excitons, and that the exciton diffusion length is LD = 34 nm, which is much larger than diffusion lengths reported in polymer films or than previously known for diffusion along isolated chains. The efficiency of exciton capture depends on chain length but not on trap depth, solvent polarity, or which trap group is present.
Zaikowski, Lori; Mauro, Gina; Bird, Matthew; Karten, Brianne; Asaoka, Sadayuki; Wu, Qin; Cook, Andrew R.; Miller, John R.
2014-12-22
Photoexcitation of conjugated poly-2,7-(9,9-dihexylfluorene) polyfluorenes with naphthylimide (NI) and anthraquinone (AQ) electron-acceptor end traps produces excitons that form charge transfer states at the end traps. Intramolecular singlet exciton transport to end traps was examined by steady state fluorescence for polyfluorenes of 17 to 127 repeat units in chloroform, dimethylformamide (DMF), tetrahydrofuran (THF), and p-xylene. End traps capture excitons and form charge transfer (CT) states at all polymer lengths and in all solvents. The CT nature of the end-trapped states is confirmed by their fluorescence spectra, solvent and trap group dependence and DFT descriptions. Quantum yields of CT fluorescence are as large as 46%. This strong CT emission is understood in terms of intensity borrowing. Energies of the CT states from onsets of the fluorescence spectra give the depths of the traps which vary with solvent polarity. For NI end traps the trap depths are 0.06 (p-xylene), 0.13 (THF) and 0.19 eV (CHCl_{3}). For AQ, CT fluorescence could be observed only in p-xylene where the trap depth is 0.27 eV. Quantum yields, emission energies, charge transfer energies, solvent reorganization and vibrational energies were calculated. Fluorescence measurements on chains >100 repeat units indicate that end traps capture ~50% of the excitons, and that the exciton diffusion length L_{D} =34 nm, which is much larger than diffusion lengths reported in polymer films or than previously known for diffusion along isolated chains. As a result, the efficiency of exciton capture depends on chain length, but not on trap depth, solvent polarity or which trap group is present.
Zaikowski, Lori; Mauro, Gina; Bird, Matthew; Karten, Brianne; Asaoka, Sadayuki; Wu, Qin; Cook, Andrew R.; Miller, John R.
2014-12-22
Photoexcitation of conjugated poly-2,7-(9,9-dihexylfluorene) polyfluorenes with naphthylimide (NI) and anthraquinone (AQ) electron-acceptor end traps produces excitons that form charge transfer states at the end traps. Intramolecular singlet exciton transport to end traps was examined by steady state fluorescence for polyfluorenes of 17 to 127 repeat units in chloroform, dimethylformamide (DMF), tetrahydrofuran (THF), and p-xylene. End traps capture excitons and form charge transfer (CT) states at all polymer lengths and in all solvents. The CT nature of the end-trapped states is confirmed by their fluorescence spectra, solvent and trap group dependence and DFT descriptions. Quantum yields of CT fluorescence are asmore » large as 46%. This strong CT emission is understood in terms of intensity borrowing. Energies of the CT states from onsets of the fluorescence spectra give the depths of the traps which vary with solvent polarity. For NI end traps the trap depths are 0.06 (p-xylene), 0.13 (THF) and 0.19 eV (CHCl3). For AQ, CT fluorescence could be observed only in p-xylene where the trap depth is 0.27 eV. Quantum yields, emission energies, charge transfer energies, solvent reorganization and vibrational energies were calculated. Fluorescence measurements on chains >100 repeat units indicate that end traps capture ~50% of the excitons, and that the exciton diffusion length LD =34 nm, which is much larger than diffusion lengths reported in polymer films or than previously known for diffusion along isolated chains. As a result, the efficiency of exciton capture depends on chain length, but not on trap depth, solvent polarity or which trap group is present.« less
Formation of Sr adatom chains on SrTiO3 (1 1 0) surface determined by strain.
Liang, Yan; Li, Fengmiao; Wang, Weihua; Yang, Hao; Guo, Jiandong
2016-09-14
The adsorption behavior of Sr adatoms on the SrTiO3 (1 1 0)-(4 × 1) reconstructed surface with Ti2O3 vacancies distributed in a superstructure is studied by scanning tunneling microscopy and density functional theory calculations. With the adsorption amount increasing, all the Sr adatoms between adjacent Ti2O3 vacancies are closely packed along the quasi-1D stripes on the surface with a uniform separation from each other. The formation of such adatom chains is determined by the surface strain relief-the local lattice relaxations in response to Sr adatoms and Ti2O3 vacancies are incompatible, leading to the strong repulsive interaction between them. Consequently the distribution of Sr chains follows the long-range order of the growth template with their length tunable in a certain range by evaporation amount. PMID:27390937
Formation of Sr adatom chains on SrTiO3 (1 1 0) surface determined by strain
NASA Astrophysics Data System (ADS)
Liang, Yan; Li, Fengmiao; Wang, Weihua; Yang, Hao; Guo, Jiandong
2016-09-01
The adsorption behavior of Sr adatoms on the SrTiO3 (1 1 0)-(4 × 1) reconstructed surface with Ti2O3 vacancies distributed in a superstructure is studied by scanning tunneling microscopy and density functional theory calculations. With the adsorption amount increasing, all the Sr adatoms between adjacent Ti2O3 vacancies are closely packed along the quasi-1D stripes on the surface with a uniform separation from each other. The formation of such adatom chains is determined by the surface strain relief—the local lattice relaxations in response to Sr adatoms and Ti2O3 vacancies are incompatible, leading to the strong repulsive interaction between them. Consequently the distribution of Sr chains follows the long-range order of the growth template with their length tunable in a certain range by evaporation amount.
NASA Technical Reports Server (NTRS)
Leon, R. P.
1987-01-01
Diffusion lengths and surface recombination velocities were measured in GaAs diodes and InP finished solar cells. The basic technique used was charge collection microscopy, also known as electron beam induced current (EBIC). The normalized currents and distances from the pn junction were read directly from the calibrated curves obtained while using the line-scan mode in an SEM. These values were then equated to integral and infinite series expressions resulting from the solution of the diffusion equation with both extended-generation and point-generation functions. This expands previous work by examining both thin and thick samples. The surface recombination velocity was either treated as an unknown in a system of two equations or measured directly using low e(-) beam accelerating voltages. These techniques give accurate results by accounting for the effects of surface recombination and the finite size of the generation volume.
NASA Technical Reports Server (NTRS)
Leon, R. P.
1987-01-01
Diffusion lengths and surface recombination velocities were measured in GaAs diodes and InP finished solar cells. The basic techniques used was charge collection microscopy also known as electron beam induced current (EBIC). The normalized currents and distances from the pn junction were read directly from the calibrated curves obtained while using the line scan mode in an SEM. These values were then equated to integral and infinite series expressions resulting from the solution of the diffusion equation with both extended generation and point generation functions. This expands previous work by examining both thin and thick samples. The surface recombination velocity was either treated as an unknown in a system of two equations, or measured directly using low e(-) beam accelerating voltages. These techniques give accurate results by accounting for the effects of surface recombination and the finite size of the generation volume.
NASA Technical Reports Server (NTRS)
Gatos, H. C.; Watanabe, M.; Actor, G.
1977-01-01
Quantitative analysis of the electron beam-induced current and the dependence of the effective diffusion length of the minority carriers on the penetration depth of the electron beam were employed for the analysis of the carrier recombination characteristics in heavily doped silicon layers. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two dimensional mapping of the surface recombination velocity of P-diffused Si layers will be presented together with a three dimensional mapping of minority carrier lifetime in ion implanted Si. Layers heavily doped with As exhibit improved recombination characteristics as compared to those of the layers doped with P.
Defect density dependent photoluminescence yield and triplet diffusion length in rubrene
NASA Astrophysics Data System (ADS)
Irkhin, Pavel; Biaggio, Ivan; Zimmerling, Tino; Döbeli, Max; Batlogg, Bertram
2016-02-01
We investigate how excitonic processes in rubrene single crystals are affected by a deliberately implanted defect gradient induced by proton irradiation. Spatially resolved measurements show a gradually reduced photoluminescence quantum yield and triplet exciton diffusion length along the defect gradient. Both effects are caused by a decrease in the average triplet lifetime due to interaction with the implanted defects. The triplet lifetime was reduced by almost two orders of magnitude at the highest implanted defect density of 1017 cm-3. The strong sensitivity of the photoluminescence quantum yield to the defect density that is observed already at moderate excitation densities is caused by the combination of two effects: the dominant contribution of triplet-fusion to the observed photoluminescence and the long-range diffusion of triplet excitons.
NASA Technical Reports Server (NTRS)
Jain, Raj K.; Weinberg, Irving; Flood, Dennis J.
1993-01-01
Indium phosphide (InP) solar cells are more radiation resistant than gallium arsenide (GaAs) and silicon (Si) solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of light weight, mechanically strong, and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5- and 3-MeV proton irradiations have been explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence was calculated by simulating the cell performance. The diffusion length damage coefficient, K(sub L), was also plotted as a function of proton fluence.
On the determination of diffusion lengths by means of angle-lapped p-n junctions
NASA Technical Reports Server (NTRS)
Von Roos, O.
1979-01-01
A standard procedure for determining the minority carrier diffusion length by means of SEM consists of scanning an angle-lapped surface of a p-n junction and measuring the resulting short circuit current as a function of beam position. The present paper points out that the usual expression linking the short circuit current induced by the electron beam to the angle between the semiconductor surface and the junction plane is incorrect. The correct expression is discussed and it is noted that, for angles less than 10 deg, the new and the old expression are practically indistinguishable.
Lab on a chip Canada--rapid diffusion over large length scales.
Juncker, David; Wheeler, Aaron R; Sinton, David
2013-07-01
The roots of lab on a chip in Canada are deep, comprising of some of the earliest contributions and first demonstrations of the potential of microfluidic chips. In an editorial leading off this special issue, Jed Harrison of University of Alberta reflects on these early days and Canada's role in the field's development (DOI: 10.1039/c3lc50522g). Over the last decade, microfluidics and lab-on-a-chip research efforts grew exponentially - rapidly diffusing across the vast Canadian length scales.
The diffusion coefficient of vacancies and jump length of electrons in zinc doped manganese ferrite
NASA Astrophysics Data System (ADS)
Tawfik, A.; Olofa, S. A.
1997-10-01
Samples of mixed ferrite Mn 1- xZn xFe 2O 4 ( x = 0.0, 0.1, 0.3, 0.5 and 0.7) have been prepared by the usual ceramic technique. X-ray diffraction patterns confirmed the spinel cubic structure for the samples. The jump length of electrons in the octahedral sites and electrical conductivity were studied as a function of zinc concentration. The increase of the jump length with Zn concentration is attributed to the substitution of Fe 3+ for Zn 2+ at the A sites which increase the B-B interaction. The increase of the diffusion coefficient and jump rate of vacancies with increasing Zn concentration expedite densification of the samples during sintering.
NASA Astrophysics Data System (ADS)
Joshi, Subhash Mukund
Large-grained, multi crystalline silicon for solar cell applications is a very inhomogeneous material with localized regions of high dislocation density and large impurity and precipitate concentrations which limit solar cell efficiency by acting as carrier recombination sites. Due to slow dissolution of precipitates in multi crystalline silicon, these regions cannot be improved by conventional gettering treatments for removal of metal impurities which give good results for single crystal silicon. Extended, high-temperature aluminum gettering is shown to successfully improve the minority carrier diffusion lengths in these localized, poor quality regions and to homogenize the electrical properties of multicrystalline silicon wafers. Cold is a substitutional-interstitial impurity in silicon, whereby its diffusion creates non-equilibrium concentrations of the native point defects in silicon, self-interstitials and vacancies. The diffusion. of gold is therefore controlled by the relaxation of these non-equilibrium point defect concentrations by dislocations or surfaces. Deliberate gold contamination of single-crystal, dislocation-free silicon wafers has been performed followed by aluminum gettering of the gold in silicon. It is shown that the aluminum gettering process can successfully getter gold in silicon, and that the outdiffusion of gold from the silicon is controlled by the proximity to the wafer surfaces rather than by proximity to the aluminum gettering layer. The indiffusion of gold in silicon has been widely demonstrated by experiments and modeling to be dominated by the Kick-Out mechanism, whereby the indiffusion of gold causes supersaturation of self-interstitials, with a minimal contribution from the Frank-Turnbull mechanism, whereby the indiffusion of gold causes undersaturation of vacancies. Fitting of the above-mentioned experimental results on aluminum gettering of gold has been done to show that the opposite holds true for outdiffusion of gold, i
Method and apparatus for determining minority carrier diffusion length in semiconductors
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.
Method and apparatus for determining minority carrier diffusion length in semiconductors
Moore, Arnold R.
1984-01-01
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 drop of a transparent 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 drop of redox couple solution functions to create a liquid Schottky barrier at the surface of the material. Illumination light is passed through a transparent rod supported over the surface and through the drop of transparent electrolyte. The drop is held in the gap between the rod and the surface. Steady red light is also used as an optical bias to reduce deleterious space-charge effects that occur in amorphous silicon.
Effect of grain boundaries in silicon on minority-carrier diffusion length and solar-cell efficiency
NASA Technical Reports Server (NTRS)
Daud, T.; Koliwad, K. M.; Allen, F. G.
1978-01-01
The spatial variation of minority-carrier diffusion length in the vicinity of a grain boundary for a polycrystalline silicon sheet has been measured by the use of the EBIC technique. The effect of such a variation on solar-cell output has then been computed as a function of grain size. Calculations show that the cell output drops considerably for grain size smaller than three times the bulk diffusion length.
NASA Astrophysics Data System (ADS)
Mouschovias, Telemachos Ch.
1991-05-01
Magnetic braking is essential for cloud contraction and star formation. Ambipolar diffusion is unavoidable in self-gravitating, magnetic clouds and leads to single-stage (as opposed to hierarchical) fragmentation (or core formation) and protostar formation. Magnetic forces dominate thermal-pressure and centrifugal forces over scales comparable to molecular cloud radii. Magnetic support of molecular clouds and the imperfect collisional coupling between charged and neutral particles introduce a critical magnetic length scale (λM,cr = 0.62υAτff) and an Alfvén length scale ((λA = πυAτni), respectively, in the problem which together with a critical thermal length scale (λT,cr = 1.09Caτff) explain naturally the formation of fragments (or cores) in otherwise quiescent clouds and determine the sizes and masses of these fragments during the subsequent stages of contraction. (The quantity υA is the Alfvén speed, τni the mean neutral-ion collision time, Ca the adiabatic speed of sound, and τff the free4all time scale.) Numerical calculations based on new adaptive-grid techniques follow the formation of fragments by ambipolar diffusion and their subsequent collapse up to an enhancement in central density above its initial equilibrium value by a factor ≃106 with excellent spatial resolution. The results confirm the existence and relevance of the three length scales and extend the analytical understanding of fragmentation and star formation derived from them. The ultimately bimodal opposition to gravity (by magnetic forces in the envelope and by thermal-pressure forces in the core) introduces a break in the slope of the log pn -log r profile. The relation Bc ∞ pkc between the magnetic field strength and the gas density in cloud cores holds with K = 0.4 - 0.5 even in the presence of ambipolar diffusion up to densities ˜109 cm-3 for a wide variety of clouds. The value K ≃ ½ is fairly typical. At the late stages of evolution, for example, at a central density
NASA Astrophysics Data System (ADS)
Huc, Mireille; Main, Ian G.
2003-07-01
It has been recently suggested that moderate and large earthquakes can be triggered by similarly sized events at very long range. Here we study the main characteristics of earthquake triggering by determining its correlation length, time dependence, and directionality. The problem is examined at a global level, by using the Harvard centroid moment tensor catalogue. Our results show that the correlation lengths depend only weakly on the magnitude thresholds involved. No significant systematic triggering is observed for distances greater than the lithospheric thickness (100-150 km), and the correlation length magnitude is similar to the seismogenic thickness (10-20 km). The mean triggering distance and correlation length both increase with time very slowly compared with what would be expected from a normal diffusion process. This is consistent with a clock advance on the failure time based on the constitutive rules for subcritical crack growth following a transient change in the loading stress. The power law scaling disappears after a few months. A functional form for the probability of triggering as a function of time and distance is proposed on the basis of the properties of near critical point systems. The model fits the data well and could be used to calculate conditional probabilities for time-dependent seismic hazard due to earthquake triggering. An apparent directionality effect that was observed in the data set can be attributed to an artefact of poor depth determination. These results do not preclude individual long-range triggering with a potential directionality effect, but they do rule out a statistical correlation at distances much greater than the thickness of the lithosphere.
NASA Astrophysics Data System (ADS)
Akiyama, Toru; Nakamura, Kohji; Ito, Tomonori
2012-06-01
The kinetics of Al and N adatoms on reconstructed AlN(0001) surfaces under growth conditions is investigated by performing first-principles pseudopotential calculations. Our calculations reveal that the adsorption of Al adatom strongly depends on the surface reconstruction while its diffusion is not affected by the reconstruction: the adsorption of Al adatom on the surface under N-rich conditions is much easier than that under H-rich conditions. These results indicate that the growth of AlN during metal-organic vapor-phase epitaxy is prominent under N-rich conditions rather than H-rich conditions, consistent with experimentally reported growth rate difference.
Transition to Spatio-Temporal Chaos with Increasing Length in the Reaction-Diffusion System
NASA Astrophysics Data System (ADS)
Trail, Collin; Tomlin, Brett; Olsen, Thomas; Wiener, Richard J.
2003-11-01
Calculations based up the Reaction-Diffusion model (H. Riecke and H.-G. Paap, Europhys. Lett. 14), 1235 (1991).have proven to be suggestive for a wide variety of pattern forming systems, including Taylor-Couette flow with hourglass geometry(Richard J. Wiener et al), Phys. Rev. E 55, 5489 (1997).. Seeking insight to guide experimental investigations, we extend these calculations. Previous calculations indicated that in smaller systems, only temporal chaos, located in a small region, would be observed, while in longer systems instabilities would form over a wide region. Our simulations explore this transition from purely temporal chaos to spatio-temporal chaos as the length of the system is increased.
Minority carrier diffusion lengths and absorption coefficients in silicon sheet material
NASA Technical Reports Server (NTRS)
Dumas, K. A.; Swimm, R. T.
1980-01-01
Most of the methods which have been developed for the measurement of the minority carrier diffusion length of silicon wafers require that the material have either a Schottky or an ohmic contact. The surface photovoltage (SPV) technique is an exception. The SPV technique could, therefore, become a valuable diagnostic tool in connection with current efforts to develop low-cost processes for the production of solar cells. The technique depends on a knowledge of the optical absorption coefficient. The considered investigation is concerned with a reevaluation of the absorption coefficient as a function of silicon processing. A comparison of absorption coefficient values showed these values to be relatively consistent from sample to sample, and independent of the sample growth method.
Effect of heat treatment on the bulk diffusion length of EFG ribbon silicon
NASA Astrophysics Data System (ADS)
Ho, C. T.; Moeller, G.; Mathias, J. D.
1983-03-01
The effect of thermal anneal on the bulk minority carrier diffusion length L(n) of Edge-defined Film-fed Growth ribbon silicon has been investigated. Statistical distributions of L(n) were gathered after the thermally treated ribbons were fabricated into solor cells by a cold junction formation method (ion implant and pulsed electron beam anneal). The measurements were made by using a bifurcated optical guide arrangement which was specifically designed for ribbon samples with variable surface reflectance. The experimental results indicated that, after a medium temperature (800 C) thermal anneal in a neutral ambient, the form of the L(n) distribution changed in an overall degradation in the average value. With the same thermal anneal in a gettering ambient, the distribution also altered, but with an overall improvement. The observations are discussed in terms of the interaction of metallic impurities with the local structural and chemical defects contained in the ribbons.
Diffusion length damage coefficient and annealing studies in proton-irradiated InP
NASA Technical Reports Server (NTRS)
Hakimzadeh, Roshanak; Vargas-Aburto, Carlos; Bailey, Sheila G.; Williams, Wendell
1993-01-01
We report on the measurement of the diffusion length damage coefficient (K(sub L)) and the annealing characteristics of the minority carrier diffusion length (L(sub n)) in Czochralski-grown zinc-doped indium phosphide (InP), with a carrier concentration of 1 x 10(exp l8) cm(exp -3). In measuring K(sub L) irradiations were made with 0.5 MeV protons with fluences ranging from 1 x 10(exp 11) to 3 x 10(exp 13) cm(exp -2). Pre- and post-irradiation electron-beam induced current (EBIC) measurements allowed for the extraction of L(sub n) from which K(sub L) was determined. In studying the annealing characteristics of L(sub n) irradiations were made with 2 MeV protons with fluence of 5 x 10(exp 13) cm(exp -2). Post-irradiation studies of L(sub n) with time at room temperature, and with minority carrier photoinjection and forward-bias injection were carried out. The results showed that recovery under Air Mass Zero (AMO) photoinjection was complete. L(sub n) was also found to recover under forward-bias injection, where recovery was found to depend on the value of the injection current. However, no recovery of L(sub n) after proton irradiation was observed with time at room temperature, in contrast to the behavior of 1 MeV electron-irradiated InP solar cells reported previously.
Role of impurities in determining the exciton diffusion length in organic semiconductors
NASA Astrophysics Data System (ADS)
Curtin, Ian J.; Blaylock, D. Wayne; Holmes, Russell J.
2016-04-01
The design and performance of organic photovoltaic cells is dictated, in part, by the magnitude of the exciton diffusion length (LD). Despite the importance of this parameter, there have been few investigations connecting LD and materials purity. Here, we investigate LD for the organic small molecule N,N'-bis(naphthalen-1-yl)-N,N'-bis(phenyl)-benzidine as native impurities are systematically removed from the material. Thin films deposited from the as-synthesized material yield a value for LD, as measured by photoluminescence quenching, of (3.9 ± 0.5) nm with a corresponding photoluminescence efficiency (ηPL) of (25 ± 1)% and thin film purity of (97.1 ± 1.2)%, measured by high performance liquid chromatography. After purification by thermal gradient sublimation, the value of LD is increased to (4.7 ± 0.5) nm with a corresponding ηPL of (33 ± 1)% and purity of (98.3 ± 0.8)%. Interestingly, a similar behavior is also observed as a function of the deposition boat temperature. Films deposited from the purified material at a high temperature give LD = (5.3 ± 0.8) nm with ηPL = (37 ± 1)% for films with a purity of (99.0 ± 0.3)% purity. Using a model of diffusion by Förster energy transfer, the variation of LD with purity is predicted as a function of ηPL and is in good agreement with measurements. The removal of impurities acts to decrease the non-radiative exciton decay rate and increase the radiative decay rate, leading to increases in both the diffusivity and exciton lifetime. The results of this work highlight the role of impurities in determining LD, while also providing insight into the degree of materials purification necessary to achieve optimized exciton transport.
Adsorption of metal adatoms on single-layer phosphorene.
Kulish, Vadym V; Malyi, Oleksandr I; Persson, Clas; Wu, Ping
2015-01-14
Single- or few-layer phosphorene is a novel two-dimensional direct-bandgap nanomaterial. Based on first-principles calculations, we present a systematic study on the binding energy, geometry, magnetic moment and electronic structure of 20 different adatoms adsorbed on phosphorene. The adatoms cover a wide range of valences, including s and p valence metals, 3d transition metals, noble metals, semiconductors, hydrogen and oxygen. We find that adsorbed adatoms produce a rich diversity of structural, electronic and magnetic properties. Our work demonstrates that phosphorene forms strong bonds with all studied adatoms while still preserving its structural integrity. The adsorption energies of adatoms on phosphorene are more than twice higher than on graphene, while the largest distortions of phosphorene are only ∼0.1-0.2 Å. The charge carrier type in phosphorene can be widely tuned by adatom adsorption. The unique combination of high reactivity with good structural stability is very promising for potential applications of phosphorene.
Gate-dependent carrier diffusion length in lead selenide quantum dot field-effect transistors.
Otto, Tyler; Miller, Chris; Tolentino, Jason; Liu, Yao; Law, Matt; Yu, Dong
2013-08-14
We report a scanning photocurrent microscopy (SPCM) study of colloidal lead selenide (PbSe) quantum dot (QD) thin film field-effect transistors (FETs). PbSe QDs are chemically treated with sodium sulfide (Na2S) and coated with amorphous alumina (a-Al2O3) by atomic layer deposition (ALD) to obtain high mobility, air-stable FETs with a strongly gate-dependent conductivity. SPCM reveals a long photocurrent decay length of 1.7 μm at moderately positive gate bias that decreases to below 0.5 μm at large positive gate voltage and all negative gate voltages. After excluding other possible mechanisms including thermoelectric effects, a thick depletion width, and fringing electric fields, we conclude from photocurrent lifetime measurements that the diffusion of a small fraction of long-lived carriers accounts for the long photocurrent decay length. The long minority carrier lifetime is attributed to charge traps for majority carriers. PMID:23802707
How fatty acids of different chain length enter and leave cells by free diffusion.
Kamp, Frits; Hamilton, James A
2006-09-01
Opposing views exist as to how unesterified fatty acids (FA) enter and leave cells. It is commonly believed that for short- and medium-chain FA free diffusion suffices whereas it is questioned whether proteins are required to facilitate transport of long-chain fatty acid (LCFA). Furthermore, it is unclear whether these proteins facilitate binding to the plasma membrane, trans-membrane movement, dissociation into the cytosol and/or transport in the cytosol. In this mini-review we approach the controversy from a different point of view by focusing on the membrane permeability constant (P) of FA with different chain length. We compare experimentally derived values of the P of short and medium-chain FA with values of apparent permeability coefficients for LCFA calculated from their dissociation rate constant (k(off)), flip-flop rate constant (k(flip)) and partition coefficient (Kp) in phospholipid bilayers. It was found that Overton's rule is valid as long as k(flip)
Effects of Cl adatom on Na-Decorated graphene
NASA Astrophysics Data System (ADS)
Song, Xinxiang; Sun, Yu; Dong, Meifeng; Li, Chun; Wang, Jiesheng; Mimura, Hidenori; Yuan, Guang
2015-06-01
The effects of the Cl adatom on Na-decorated graphene are studied using first principles density functional theory under the generalized gradient approximation to calculate the adsorption energy, geometric structure, charge density difference, and density of states. When Na and Cl adatoms are simultaneously absorbed on opposite sides of graphene, the adsorption energy of Na increases by about 1 eV and the adsorption system becomes more stable because graphene can effectively transfer the 3s valence of the Na adatom to the Cl adatom.
Mair, R W; Sen, P N; Hürlimann, M D; Patz, S; Cory, D G; Walsworth, R L
2002-06-01
We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Padé approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Padé interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Padé length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. PMID:12165255
NASA Technical Reports Server (NTRS)
Mair, R. W.; Sen, P. N.; Hurlimann, M. D.; Patz, S.; Cory, D. G.; Walsworth, R. L.
2002-01-01
We report a systematic study of xenon gas diffusion NMR in simple model porous media, random packs of mono-sized glass beads, and focus on three specific areas peculiar to gas-phase diffusion. These topics are: (i) diffusion of spins on the order of the pore dimensions during the application of the diffusion encoding gradient pulses in a PGSE experiment (breakdown of the narrow pulse approximation and imperfect background gradient cancellation), (ii) the ability to derive long length scale structural information, and (iii) effects of finite sample size. We find that the time-dependent diffusion coefficient, D(t), of the imbibed xenon gas at short diffusion times in small beads is significantly affected by the gas pressure. In particular, as expected, we find smaller deviations between measured D(t) and theoretical predictions as the gas pressure is increased, resulting from reduced diffusion during the application of the gradient pulse. The deviations are then completely removed when water D(t) is observed in the same samples. The use of gas also allows us to probe D(t) over a wide range of length scales and observe the long time asymptotic limit which is proportional to the inverse tortuosity of the sample, as well as the diffusion distance where this limit takes effect (approximately 1-1.5 bead diameters). The Pade approximation can be used as a reference for expected xenon D(t) data between the short and the long time limits, allowing us to explore deviations from the expected behavior at intermediate times as a result of finite sample size effects. Finally, the application of the Pade interpolation between the long and the short time asymptotic limits yields a fitted length scale (the Pade length), which is found to be approximately 0.13b for all bead packs, where b is the bead diameter. c. 2002 Elsevier Sciences (USA).
NASA Astrophysics Data System (ADS)
Disrattakit, P.; Chanphana, R.; Chatraphorn, P.
2016-11-01
Conventionally, the universality class of a discrete growth model is identified via the scaling of interface width. This method requires large-scale simulations to minimize finite-size effects on the results. The multiple hit noise reduction techniques (m > 1 NRT) and the long surface diffusion length noise reduction techniques (ℓ > 1 NRT) have been used to promote the asymptotic behaviors of the growth models. Lately, an alternative method involving comparison of roughness distribution in the steady state has been proposed. In this work, the roughness distribution of the (2 +1)-dimensional Das Sarma-Tamborenea (DT), Wolf-Villain (WV), and Larger Curvature (LC) models, with and without NRTs, are calculated in order to investigate effects of the NRTs on the roughness distribution. Additionally, effective growth exponents of the noise reduced (2 +1)-dimensional DT, WV and LC models are also calculated. Our results indicate that the NRTs affect the interface width both in the growth and the saturation regimes. In the steady state, the NRTs do not seem to have any impact on the roughness distribution of the DT model, but it significantly changes the roughness distribution of the WV and LC models to the normal distribution curves.
Diffusion length in CdTe by measurement of photovoltage spectra in CdS/CdTe solar cells
NASA Astrophysics Data System (ADS)
Toušek, J.; Kindl, D.; Toušková, J.; Dolhov, S.; Poruba, A.
2001-01-01
Modified method of surface photovoltage (SPV), spectral response measurement, and constant photocurrent method (CPM) were applied to thin film CdS/CdTe solar cells with the aim of finding diffusion length of minority carriers (L) in the CdTe material. The SPV signal was theoretically calculated without constraints of absorption coefficients for the incident radiation and thickness of the sample assuming one space charge region (SCR) located on the CdS/CdTe interface. In addition to the diffusion length, the SPV is a function of the surface recombination velocity and the parameters of the SCR, which complicates the evaluation. Illuminating the back side of the solar cell (without ohmic contact) we obtain a photovoltage spectrum predominantly influenced by the diffusion length. On the other hand, the standard measurement using light penetrating from the CdS side strongly depends on the thickness of the SCR. The small signal approximation model presented here successfully explains both measured spectra and permits extraction of the diffusion length of minority carriers and thickness of the SCR in CdTe absorber. The CPM is used for determination of absorption coefficients in the CdTe layer. The absorption of this material depends on its preparation and must be known for correct evaluation of experimental data.
NASA Technical Reports Server (NTRS)
Leon, R. P.
1987-01-01
Accurate evaluations of diffusion lengths for heavily to moderately doped III-V semiconductors and/or radiation damaged solar cells have been made possible by using experimental and numerical techniques. The techniques employed were electron beam induced current and low voltage electron microscopy.
NASA Technical Reports Server (NTRS)
Vonroos, O. H. (Inventor)
1978-01-01
Carrier lifetimes and bulk diffusion length are qualitatively measured as a means for qualification of a P-N junction photovoltaic solar cell. High frequency (blue) monochromatic light pulses and low-frequency (red) monochromatic light pulses were alternately applied to the cell while it was irradiated by light from a solar simulator, and synchronously displaying the derivative of the output voltage of the cell on an oscilloscope. The output voltage is a measure of the lifetimes of the minority carriers (holes) in the diffused N layer and majority carriers (electrons) in the bulk P material, and of the diffusion length of the bulk silicon. By connecting a reference cell in this manner with a test cell to be tested in reverse parallel, the display of a test cell that matches the reference cell will be a substantially zero output.
Characterization of tissue structure at varying length scales using temporal diffusion spectroscopy.
Gore, John C; Xu, Junzhong; Colvin, Daniel C; Yankeelov, Thomas E; Parsons, Edward C; Does, Mark D
2010-08-01
The concepts, theoretical behavior and experimental applications of temporal diffusion spectroscopy are reviewed and illustrated. Temporal diffusion spectra are obtained using oscillating-gradient waveforms in diffusion-weighted measurements, and represent the manner in which various spectral components of molecular velocity correlations vary in different geometrical structures that restrict or hinder free movements. Measurements made at different gradient frequencies reveal information on the scale of restrictions or hindrances to free diffusion, and the shape of a spectrum reveals the relative contributions of spatial restrictions at different distance scales. Such spectra differ from other so-called diffusion spectra which depict spatial frequencies and are defined at a fixed diffusion time. Experimentally, oscillating gradients at moderate frequency are more feasible for exploring restrictions at very short distances which, in tissues, correspond to structures smaller than cells. We describe the underlying concepts of temporal diffusion spectra and provide analytical expressions for the behavior of the diffusion coefficient as a function of gradient frequency in simple geometries with different dimensions. Diffusion in more complex model media that mimic tissues has been simulated using numerical methods. Experimental measurements of diffusion spectra have been obtained in suspensions of particles and cells, as well as in vivo in intact animals. An observation of particular interest is the increased contrast and heterogeneity observed in tumors using oscillating gradients at moderate frequency compared with conventional pulse gradient methods, and the potential for detecting changes in tumors early in their response to treatment. Computer simulations suggest that diffusion spectral measurements may be sensitive to intracellular structures, such as nuclear size, and that changes in tissue diffusion properties may be measured before there are changes in cell
Characterization of Tissue Structure at Varying Length Scales Using Temporal Diffusion Spectroscopy
Gore, John C.; Xu, Junzhong; Colvin, Daniel C.; Yankeelov, Thomas E.; Parsons, Edward C.; Does, Mark D.
2011-01-01
The concepts, theoretical behavior and experimental applications of temporal diffusion spectroscopy are reviewed and illustrated. Temporal diffusion spectra are obtained by using oscillating gradient waveforms in diffusion-weighted measurements, and represent the manner in which various spectral components of molecular velocity correlations vary in different geometrical structures that restrict or hinder free movements. Measurements made at different gradient frequencies reveal information on the scale of restrictions or hindrances to free diffusion, and the shape of a spectrum reveals the relative contributions of spatial restrictions at different distance scales. Such spectra differ from other so-called diffusion spectra which depict spatial frequencies and are defined at a fixed diffusion time. Experimentally, oscillating gradients at moderate frequency are more feasible for exploring restrictions at very short distances, which in tissues correspond to structures smaller than cells. We describe the underlying concepts of temporal diffusion spectra and provide analytical expressions for the behavior of the diffusion coefficient as a function of gradient frequency in simple geometries with different dimensions. Diffusion in more complex model media that mimic tissues has been simulated using numerical methods. Experimental measurements of diffusion spectra have been obtained in suspensions of particles and cells, as well as in vivo in intact animals. An observation of particular interest is the increased contrast and heterogeneity observed in tumors using oscillating gradients at moderate frequency compared to conventional pulse gradient methods, and the potential for detecting changes in tumors early in their response to treatment. Computer simulations suggest that diffusion spectral measurements may be sensitive to intracellular structures such as nuclear size, and that changes in tissue diffusion properties may be measured before there are changes in cell
NASA Astrophysics Data System (ADS)
Shin, Seunghwan; Dorfman, Kevin; Cheng, Xiang
2015-03-01
Double-stranded DNA (dsDNA) labeled with cyanine dyes such as YOYO-1 has been extensively used as a model to study equilibrium and dynamic properties of semiflexible polyelectrolytes. The ability to directly visualize the polymer dynamics is an attractive feature of these experiments, but positively charged cyanine dyes affect the physical properties of dsDNA, distorting the double helix and counterbalancing the intrinsic negative charge of the backbone. A variety of studies have been conducted to reveal the effect of the dye on the contour length and the persistence length of dsDNA. However, fewer efforts have been made to directly quantify the effect of dye on the diffusion behavior of dsDNA. In order to resolve this issue, we measured the in-plane diffusion coefficient of unconfined dsDNA using confocal microscopy. Although there is widespread consensus that intercalation increases the contour length of dsDNA, we find that increasing the dye:base pair ratio for YOYO-1 actually enhances the diffusion of dsDNA. This enhancement is more significant at lower ionic strengths, which implies that the increase in the diffusion coefficient by dye-DNA intercalation is mainly due to a reduction of excluded volume effect resulting from charge neutralization on the backbone.
Native gallium adatoms discovered on atomically-smooth gallium nitride surfaces at low temperature.
Alam, Khan; Foley, Andrew; Smith, Arthur R
2015-03-11
In advanced compound semiconductor devices, such as in quantum dot and quantum well systems, detailed atomic configurations at the growth surfaces are vital in determining the structural and electronic properties. Therefore, it is important to investigate the surface reconstructions in order to make further technological advancements. Usually, conventional semiconductor surfaces (e.g., arsenides, phosphides, and antimonides) are highly reactive due to the existence of a high density of group V (anion) surface dangling bonds. However, in the case of nitrides, group III rich growth conditions in molecular beam epitaxy are usually preferred leading to group III (Ga)-rich surfaces. Here, we use low-temperature scanning tunneling microscopy to reveal a uniform distribution of native gallium adatoms with a density of 0.3%-0.5% of a monolayer on the clean, as-grown surface of nitrogen polar GaN(0001̅) having the centered 6 × 12 reconstruction. Unseen at room temperature, these Ga adatoms are strongly bound to the surface but move with an extremely low surface diffusion barrier and a high density saturation coverage in thermodynamic equilibrium with Ga droplets. Furthermore, the Ga adatoms reveal an intrinsic surface chirality and an asymmetric site occupation. These observations can have important impacts in the understanding of gallium nitride surfaces.
Metal Adatoms and Clusters on Ultrathin Zirconia Films
2016-01-01
Nucleation and growth of transition metals on zirconia has been studied by scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. Since STM requires electrical conductivity, ultrathin ZrO2 films grown by oxidation of Pt3Zr(0001) and Pd3Zr(0001) were used as model systems. DFT studies were performed for single metal adatoms on supported ZrO2 films as well as the (1̅11) surface of monoclinic ZrO2. STM shows decreasing cluster size, indicative of increasing metal–oxide interaction, in the sequence Ag < Pd ≈ Au < Ni ≈ Fe. Ag and Pd nucleate mostly at steps and domain boundaries of ZrO2/Pt3Zr(0001) and form three-dimensional clusters. Deposition of low coverages of Ni and Fe at room temperature leads to a high density of few-atom clusters on the oxide terraces. Weak bonding of Ag to the oxide is demonstrated by removing Ag clusters with the STM tip. DFT calculations for single adatoms show that the metal–oxide interaction strength increases in the sequence Ag < Au < Pd < Ni on monoclinic ZrO2, and Ag ≈ Au < Pd < Ni on the supported ultrathin ZrO2 film. With the exception of Au, metal nucleation and growth on ultrathin zirconia films follow the usual rules: More reactive (more electropositive) metals result in a higher cluster density and wet the surface more strongly than more noble metals. These bind mainly to the oxygen anions of the oxide. Au is an exception because it can bind strongly to the Zr cations. Au diffusion may be impeded by changing its charge state between −1 and +1. We discuss differences between the supported ultrathin zirconia films and the surfaces of bulk ZrO2, such as the possibility of charge transfer to the substrate of the films. Due to their large in-plane lattice constant and the variety of adsorption sites, ZrO2{111} surfaces are more reactive than many other oxygen-terminated oxide surfaces. PMID:27213024
Tao, X. D.; Feng, Z.; Miao, B. F.; Sun, L.; You, B.; Wu, D.; Du, J.; Zhang, W.; Ding, H. F.
2014-05-07
We present the experimental study of the spin Hall angle (SHA) and spin diffusion length of Pd with the spin pumping and microwave photoresistance effects. The Py/Pd bilayer stripes are excited with an out-of-plane microwave magnetic field. The pure spin current is thus pumped and transforms into charge current via the inverse spin Hall effect (ISHE) in Pd layer, yielding an ISHE voltage. The ISHE voltage can be distinguished from the unwanted signal caused by the anisotropic magnetoresistance according to their different symmetries. Together with Pd thickness dependent measurements of in and out-of-plane precessing angles and effective spin mixing conductance, the SHA and spin-diffusion length of Pd are quantified as 0.0056 ± 0.0007 and 7.3 ± 0.7 nm, respectively.
Fano fingerprints of Majoranas in Kitaev dimers of superconducting adatoms
NASA Astrophysics Data System (ADS)
Dessotti, F. A.; Ricco, L. S.; Marques, Y.; Machado, R. S.; Guessi, L. H.; Figueira, M. S.; de Souza, M.; Seridonio, A. C.
2016-09-01
We investigate theoretically a Fano interferometer composed by STM and AFM tips close to a Kitaev dimer of superconducting adatoms, in which the adatom placed under the AFM tip, encloses a pair of Majorana fermions (MFs). For the binding energy Δ of the Cooper pair delocalized into the adatoms under the tips coincident with the tunneling amplitude t between them, namely Δ=t, we find that only one MF beneath the AFM tip hybridizes with the adatom coupled to the STM tips. As a result, a gate invariance feature emerges: the Fano profile of the transmittance rises as an invariant quantity depending upon the STM tips Fermi energy, due to the symmetric swap in the gate potential of the AFM tip.
Investigation on Ge surface diffusion via growing Ge quantum dots on top of Si pillars
NASA Astrophysics Data System (ADS)
Jiang, Yuwen; Mo, Delin; Hu, Xiaofeng; Wang, Shuguang; Chen, Yulu; Lin, Dongdong; Fan, Yongliang; Yang, Xinju; Zhong, Zhengyang; Jiang, Zuimin
2016-08-01
We report on a simple and intuitionistic experimental method to quantitatively measure surface diffusion lengths of Ge adatoms on Si(001) substrates and its activation energy Ea, which is achieved by growing Ge quantum dots (QDs) on top surfaces of Si pillars with different radii and taking an advantage of preferential nucleation and growth of Ge QDs at the top surface edge of the pillars. Diffusion length of Ge adatom can directly be measured and determined by the radius of the pillar below which no QDs will nucleate and grow at the central region of the top surface of the Si pillar. With a growth rate v fixed at 0.1 Å/s, by changing the growth temperature, the diffusion lengths at different temperatures would be obtained. Arrhenius plot of diffusion length as a function of growth temperature gives the value of Ea of 1.37 eV. Likewise, with a growth rate v fixed at 0.05 Å/s, the Ea value is obtained to be 1.38 eV. Two Ea values agree well with each other, implying that the method is reliable and self-consistent. Moreover, for a fixed growth temperature, the surface diffusion lengths are found to be directly proportional to 1 / √{ ν } . It also agrees well with the theoretical prediction, further demonstrating the reliability of the method.
Indirect exchange interaction between magnetic adatoms in graphene
NASA Astrophysics Data System (ADS)
Krainov, I. V.; Rozhansky, I. V.; Averkiev, N. S.; Lähderanta, E.
2015-10-01
We present a theoretical study of indirect exchange interaction between magnetic adatoms in graphene. The coupling between the adatoms to a graphene sheet is described in the framework of a tunneling Hamiltonian. We account for the possibility of this coupling being of resonant character if a bound state of the adatom effectively interacts with the continuum of 2D delocalized states in graphene. In this case the indirect exchange between the adatoms mediated by the 2D carriers appears to be substantially enhanced compared to the results known from Ruderman-Kittel-Kasuya-Yosida (RKKY) theory. Moreover, unlike the results of RKKY calculations in the case of resonant exchange, the magnetic coupling between the adatoms sitting over different graphene sublattices does not cancel each other. Thus, for a random distribution of the magnetic adatoms over a graphene surface, a nonzero magnetic interaction is expected. We also suggest the idea of controlling the magnetism by driving the tunnel coupling in and out of resonance by a gate voltage.
Scattering theory of spin-orbit active adatoms on graphene
NASA Astrophysics Data System (ADS)
Pachoud, Alexandre; Ferreira, Aires; Ã-zyilmaz, B.; Castro Neto, A. H.
2014-07-01
The scattering of two-dimensional massless Dirac fermions from local spin-orbit interactions with an origin in dilute concentrations of physisorbed atomic species on graphene is theoretically investigated. The hybridization between graphene and the adatoms' orbitals lifts spin and valley degeneracies of the pristine host material, giving rise to rich spin-orbit coupling mechanisms with features determined by the exact adsorption position on the honeycomb lattice—bridge, hollow, or top position—and the adatoms' outer-shell orbital type. Effective graphene-only Hamiltonians are derived from symmetry considerations, while a microscopic tight-binding approach connects effective low-energy couplings and graphene-adatom hybridization parameters. Within the T-matrix formalism, a theory for (spin-dependent) scattering events involving graphene's charge carriers, and the spin-orbit active adatoms is developed. Spin currents associated with intravalley and intervalley scattering are found to tend to oppose each other. We establish that under certain conditions, hollow-position adatoms give rise to the spin Hall effect, through skew scattering, while top-position adatoms induce transverse charge currents via trigonal potential scattering. We also identify the critical Fermi energy range where the spin Hall effect is dramatically enhanced, and the associated transverse spin currents can be reversed.
Hiwatashi, Akio; Keupp, Jochen; Yamashita, Koji; Kikuchi, Kazufumi; Yoshiura, Takashi; Yoneyama, Masami; Kruiskamp, Marijn J.; Sagiyama, Koji; Takahashi, Masaya; Honda, Hiroshi
2016-01-01
In this study, we evaluated the dependence of saturation pulse length on APT imaging of diffuse gliomas using a parallel transmission-based technique. Twenty-two patients with diffuse gliomas (9 low-grade gliomas, LGGs, and 13 high-grade gliomas, HGGs) were included in the study. APT imaging was conducted at 3T with a 2-channel parallel transmission scheme using three different saturation pulse lengths (0.5 s, 1.0 s, 2.0 s). The 2D fast spin-echo sequence was used for imaging. Z-spectrum was obtained at 25 frequency offsets from -6 to +6 ppm (step 0.5 ppm). A point-by-point B0 correction was performed with a B0 map. Magnetization transfer ratio (MTRasym) and ΔMTRasym (contrast between tumor and normal white matter) at 3.5 ppm were compared among different saturation lengths. A significant increase in MTRasym (3.5 ppm) of HGG was found when the length of saturation pulse became longer (3.09 ± 0.54% at 0.5 s, 3.83 ± 0.67% at 1 s, 4.12 ± 0.97% at 2 s), but MTRasym (3.5 ppm) was not different among the saturation lengths in LGG. ΔMTRasym (3.5 ppm) increased with the length of saturation pulse in both LGG (0.48 ± 0.56% at 0.5 s, 1.28 ± 0.56% at 1 s, 1.88 ± 0.56% at 2 s and HGG (1.72 ± 0.54% at 0.5 s, 2.90 ± 0.49% at 1 s, 3.83 ± 0.88% at 2 s). In both LGG and HGG, APT-weighted contrast was enhanced with the use of longer saturation pulses. PMID:27227746
Andersson, Anders David Ragnar; Pastore, Giovanni; Liu, Xiang-Yang; Perriot, Romain Thibault; Tonks, Michael; Stanek, Christopher Richard
2014-11-07
This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO_{2} were derived for both intrinsic conditions and under irradiation. The importance of the large X_{eU3O} cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.
Filippov, Andrei; Taher, Mamoun; Shah, Faiz Ullah; Glavatskih, Sergei; Antzutkin, Oleg N
2014-12-28
The physicochemical properties of ionic liquids are strongly affected by the selective combination of the cations and anions comprising the ionic liquid. In particular, the length of the alkyl chains of ions has a clear influence on the ionic liquid's performance. In this paper, we study the self-diffusion of ions in a series of halogen-free boron-based ionic liquids (hf-BILs) containing bis(mandelato)borate anions and dialkylpyrrolidinium cations with long alkyl chains CnH2n+1 with n from 4 to 14 within a temperature range of 293-373 K. It was found that the hf-BILs with n = 4-7 have very similar diffusion coefficients, while hf-BILs with n = 10-14 exhibit two liquid sub-phases in almost the entire temperature range studied (293-353 K). Both liquid sub-phases differ in their diffusion coefficients, while values of the slower diffusion coefficients are close to those of hf-BILs with shorter alkyl chains. To explain the particular dependence of diffusion on the alkyl chain length, we examined the densities of the hf-BILs studied here. It was shown that the dependence of the density on the number of CH2 groups in long alkyl chains of cations can be accurately described using a "mosaic type" model, where regions of long alkyl chains of cations (named 'aliphatic' regions) and the residual chemical moieties in both cations and anions (named 'ionic' regions) give additive contributions. Changes in density due to an increase in temperature and the number of CH2 groups in the long alkyl chains of cations are determined predominantly by changes in the free volume of the 'ionic' regions, while 'aliphatic' regions are already highly compressed by van der Waals forces, which results in only infinitesimal changes in their free volumes with temperature.
NASA Technical Reports Server (NTRS)
Tabib-Azar, Massood
1997-01-01
We report values of minority carrier diffusion length in n-type 6H SiC measured using a planar Electron Beam Induced Current (EBIC) method. Values of hole diffusion length in defect free regions of n-type 6H SiC, with a doping concentration of 1.7El7 1/cu cm, ranged from 1.46 microns to 0.68 microns. We next introduce a novel variation of the planar method used above. This 'planar mapping' technique measured diffusion length along a linescan creating a map of diffusion length versus position. This map is then overlaid onto the EBIC image of the corresponding linescan, allowing direct visualization of the effect of defects on minority carrier diffusion length. Measurements of the above n-type 6H SiC resulted in values of hole diffusion length ranging from 1.2 micron in defect free regions to below 0.1 gm at the center of large defects. In addition, measurements on p-type 6H SiC resulted in electron diffusion lengths ranging from 1.42 micron to 0.8 micron.
Diffusion length of photo-generated charge carriers in layers and powders of CH3NH3PbI3 perovskite
NASA Astrophysics Data System (ADS)
Dittrich, Th.; Lang, F.; Shargaieva, O.; Rappich, J.; Nickel, N. H.; Unger, E.; Rech, B.
2016-08-01
The diffusion or transport lengths of photo-generated charge carriers in CH3NH3PbI3 layers (thickness up to 1 μm) and powders have been directly measured with high accuracy by modulated surface photovoltage after Goodman. The values of the diffusion lengths of photo-generated charge carriers ranged from 200 nm to tenths of μm. In thin CH3NH3PbI3 layers, the transport lengths corresponded to the layer thickness whereas in thicker layers and in crystallites of CH3NH3PbI3 powders the grain size limited the diffusion length. For grains, the diffusion length of photo-generated charge carriers depended on the measurement conditions.
Marchal, D; Boireau, W; Laval, J M; Moiroux, J; Bourdillon, C
1998-01-01
The long-range diffusion coefficients of isoprenoid quinones in a model of lipid bilayer were determined by a method avoiding fluorescent probe labeling of the molecules. The quinone electron carriers were incorporated in supported dimyristoylphosphatidylcholine layers at physiological molar fractions (<3 mol%). The elaborate bilayer template contained a built-in gold electrode at which the redox molecules solubilized in the bilayer were reduced or oxidized. The lateral diffusion coefficient of a natural quinone like UQ10 or PQ9 was 2.0 +/- 0.4 x 10(-8) cm2 s(-1) at 30 degrees C, two to three times smaller than the diffusion coefficient of a lipid analog in the same artificial bilayer. The lateral mobilities of the oxidized or reduced forms could be determined separately and were found to be identical in the 4-13 pH range. For a series of isoprenoid quinones, UQ2 or PQ2 to UQ10, the diffusion coefficient exhibited a marked dependence on the length of the isoprenoid chain. The data fit very well the quantitative behavior predicted by a continuum fluid model in which the isoprenoid chains are taken as rigid particles moving in the less viscous part of the bilayer and rubbing against the more viscous layers of lipid heads. The present study supports the concept of a homogeneous pool of quinone located in the less viscous region of the bilayer. PMID:9545054
NASA Astrophysics Data System (ADS)
Doan, Quang-Tri; El Hdiy, Abdelillah; Troyon, Michel
2011-07-01
The near-field electron beam induced current technique is used to study the minority carrier effective diffusion length versus electron beam energy on structures containing spherical Ge nanocrystals (NCs) with diameters of 50 nm and 70 nm formed by a two step dewetting/nucleation process. For both nanocrystal sizes, the effective diffusion length increases with the electron beam energy and then decreases from a threshold energy, which depends on the nanocrystal size. The effective diffusion length is smaller at low energy for NCs of larger size because of their larger surface recombination velocity, due to a better charge trapping efficiency.
NASA Technical Reports Server (NTRS)
Hubbard, S. M.; Tabib-Azar, M.; Balley, S.; Rybickid, G.; Neudeck, P.; Raffaelle, R.
2004-01-01
Minority-Carrier diffusion lengths of n-type 6H-SiC were measured using the electron-beam induced current (EBIC) technique. Experimental values of primary beam current, EBIC, and beam voltage were obtained for a variety of SIC samples. This data was used to calculate experimental diode efficiency vs. beam voltage curves. These curves were fit to theoretically calculated efficiency curves, and the diffusion length and metal layer thickness were extracted. The hole diffusion length in n-6H SiC ranged from 0.93 +/- 0.15 microns.
Diffusion length variation and proton damage coefficients for InP/In(x)Ga(1-x)As/GaAs solar cells
NASA Technical Reports Server (NTRS)
Jain, R. K.; Weinberg, I.; Flood, D. J.
1993-01-01
Indium phosphide solar cells are more radiation resistant than gallium arsenide and silicon solar cells, and their growth by heteroepitaxy offers additional advantages leading to the development of lighter, mechanically strong and cost-effective cells. Changes in heteroepitaxial InP cell efficiency under 0.5 and 3 MeV proton irradiations are explained by the variation in the minority-carrier diffusion length. The base diffusion length versus proton fluence is calculated by simulating the cell performance. The diffusion length damage coefficient K(L) is plotted as a function of proton fluence.
Measurement of the minority carrier diffusion length and edge surface-recombination velocity in InP
NASA Technical Reports Server (NTRS)
Bailey, Sheila G.; Hakimzadeh, Roshanak
1993-01-01
A scanning electron microscope (SEM) was used to measure the electron (minority carrier) diffusion length (L(sub n)) and the edge surface-recombination velocity (V(sub s)) in zinc-doped Czochralski-grown InP wafers. Electron-beam-induced current (EBIC) profiles were obtained in specimens containing a Schottky barrier perpendicular to the scanned (edge) surface. An independent technique was used to measure V(sub s), and these values were used in a theoretical expression for normalized EBIC. A fit of the experimental data with this expression enabled us to determine L(sub n).
Nogues, Gilles Den Hertog, Martien; Auzelle, Thomas; Gayral, Bruno; Daudin, Bruno
2014-03-10
We perform correlated studies of individual GaN nanowires in scanning electron microscopy combined to low temperature cathodoluminescence, microphotoluminescence, and scanning transmission electron microscopy. We show that some nanowires exhibit well localized regions emitting light at the energy of a stacking fault bound exciton (3.42 eV) and are able to observe the presence of a single stacking fault in these regions. Precise measurements of the cathodoluminescence signal in the vicinity of the stacking fault give access to the exciton diffusion length near this location.
Binding of an adatom to a simple metal surface
NASA Technical Reports Server (NTRS)
Huntington, H. B.; Turk, L. A.; White, W. W., III
1975-01-01
The density functional formalism of Hohenberg and Kohn is used to investigate the energies, charge densities and forces which hold an adatom on the surface of a simple metal. The valence wavefunction of the adatom is fitted to the Herman-Skillman solutions at large distance and is simplified somewhat in the core region. The field of the ion is represented by the Ashcroft pseudopotential. For the metal the jellium model is used. Detailed calculations are carried out for a sodium adatom on a sodium surface. Simply juxtaposing adatom and surface gives a binding energy of about 1/3 eV. This value is approximately twice the surface energy per atom in the close-packed plane. Charge redistributions as determined variationally increase the binding energy by about 10%. The equilibrium distance for the adatom turns out to be 1.66 A from the surface, as compared with 1.52 A, the observed value for one-half the distance between the close-packed planes.
NASA Astrophysics Data System (ADS)
Halmstad, Andrew; Olsen, Thomas; Wiener, Richard
2006-11-01
Previously, we have observed a period-doubling cascade to chaos in Modified Taylor-Couette Flow with Hourglass Geometry. Such behavior had been predicted by The Reaction-Diffusion model simulations. The chaotic formation of Taylor-Vortex pair formation was restricted to a very narrow band about the waist of the hourglass. It was suggested that with increasing lengths of systems, the chaotic region would expand. We present a battery of simulations to determine the variation of the size of the chaotic region with length, seeking the transition to spatio- temporal chaos. Richard J. Wiener et al, Phys. Rev. E 55, 5489 (1997). H. Riecke and H.-G. Paap, Europhys. Lett. 14, 1235 (1991).
Migration characterization of Ga and In adatoms on dielectric surface in selective MOVPE
NASA Astrophysics Data System (ADS)
Chen, Wei-Jie; Han, Xiao-Biao; Lin, Jia-Li; Hu, Guo-Heng; Liu, Ming-Gang; Yang, Yi-Bin; Chen, Jie; Wu, Zhi-Sheng; Liu, Yang; Zhang, Bai-Jun
2015-11-01
Migration characterizations of Ga and In adatoms on the dielectric surface in selective metal organic vapor phase epitaxy (MOVPE) were investigated. In the typical MOVPE environment, the selectivity of growth is preserved for GaN, and the growth rate of GaN micro-pyramids is sensitive to the period of the patterned SiO2 mask. A surface migration induced model was adopted to figure out the effective migration length of Ga adatoms on the dielectric surface. Different from the growth of GaN, the selective area growth of InGaN on the patterned template would induce the deposition of InGaN polycrystalline particles on the patterned SiO2 mask with a long period. It was demonstrated with a scanning electron microscope and energy dispersive spectroscopy that the In adatoms exhibit a shorter migration length on the dielectric surface. Project supported by the National Natural Science Foundation of China (Grant Nos. 61274039 and 51177175), the National Basic Research Program of China (Grant No. 2011CB301903), the Ph.D. Programs Foundation of Ministry of Education of China (Grant No. 20110171110021), the International Sci. & Tech. Collaboration Program of China (Grant No. 2012DFG52260), the International Sci. & Tech. Collaboration Program of Guangdong Province, China (Grant No. 2013B051000041), the Science and Technology Plan of Guangdong Province, China (Grant No. 2013B010401013), the National High Technology Research and Development Program of China (Grant No. 2014AA032606), and the Opened Fund of the State Key Laboratory on Integrated Optoelectronics, China (Grant No. IOSKL2014KF17).
Yettapu, Gurivi Reddy; Talukdar, Debnath; Sarkar, Sohini; Swarnkar, Abhishek; Nag, Angshuman; Ghosh, Prasenjit; Mandal, Pankaj
2016-08-10
Colloidal CsPbBr3 perovskite nanocrystals (NCs) have emerged as an excellent light emitting material in last one year. Using time domain and time-resolved THz spectroscopy and density functional theory based calculations, we establish 3-fold free carrier recombination mechanism, namely, nonradiative Auger, bimolecular electron-hole recombination, and inefficient trap-assisted recombination in 11 nm sized colloidal CsPbBr3 NCs. Our results confirm a negligible influence of surface defects in trapping charge carriers, which in turn results into desirable intrinsic transport properties, from the perspective of device applications, such as remarkably high carrier mobility (∼4500 cm(2) V(-1) s(-1)), large diffusion length (>9.2 μm), and high luminescence quantum yield (80%). Despite being solution processed and possessing a large surface to volume ratio, this combination of high carrier mobility and diffusion length, along with nearly ideal photoluminescence quantum yield, is unique compared to any other colloidal quantum dot system. PMID:27367476
Placidi, E. Arciprete, F.; Latini, V.; Latini, S.; Patella, F.; Magri, R.
2014-09-15
An innovative multilayer growth of InAs quantum dots on GaAs(100) is demonstrated to lead to self-aggregation of correlated quantum dot chains over mesoscopic distances. The fundamental idea is that at critical growth conditions is possible to drive the dot nucleation only at precise locations corresponding to the local minima of the Indium chemical potential. Differently from the known dot multilayers, where nucleation of new dots on top of the buried ones is driven by the surface strain originating from the dots below, here the spatial correlations and nucleation of additional dots are mostly dictated by a self-engineering of the surface occurring during the growth, close to the critical conditions for dot formation under the fixed oblique direction of the incoming As flux, that drives the In surface diffusion.
Ab initio study of interaction between 3d adatoms on the vicinal Cu(111) surface
NASA Astrophysics Data System (ADS)
Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L.
2016-06-01
Density functional theory is used to resolve the adatom-step and adatom-adatom interactions on vicinal Cu(111) surface. We demonstrated that the interactions between 3d adatoms appreciably depend on the distance from a surface step. Our calculations show that the magnitude of the repulsive barrier related to the surface step is larger for 3d adatoms located at the upper surface terrace than for adatoms located at the lower surface terrace.
Turzhitsky, Vladimir; Rogers, Jeremy D; Mutyal, Nikhil N; Roy, Hemant K; Backman, Vadim
2010-01-01
Low-coherence enhanced backscattering (LEBS) is a technique that has recently shown promise for tissue characterization and the detection of early pre-cancer. Although several Monte Carlo models of LEBS have been described, these models have not been accurate enough to predict all of the experimentally observed LEBS features. We present an appropriate Monte Carlo model to simulate LEBS peak properties from polystyrene microsphere suspensions in water. Results show that the choice of the phase function greatly impacts the accuracy of the simulation when the transport mean free path (ls*) is much greater than the spatial coherence length (L(SC)). When ls* < L(SC), a diffusion approximation based model of LEBS is sufficiently accurate. We also use the Monte Carlo model to validate that LEBS can be used to measure the radial scattering probability distribution (radial point spread function), p(r), at small length scales and demonstrate LEBS measurements of p(r) from biological tissue. In particular, we show that pre-cancerous and benign mucosal tissues have different small length scale light transport properties.
Turzhitsky, Vladimir; Rogers, Jeremy D.; Mutyal, Nikhil N.; Roy, Hemant K.; Backman, Vadim
2009-01-01
Low-coherence enhanced backscattering (LEBS) is a technique that has recently shown promise for tissue characterization and the detection of early pre-cancer. Although several Monte Carlo models of LEBS have been described, these models have not been accurate enough to predict all of the experimentally observed LEBS features. We present an appropriate Monte Carlo model to simulate LEBS peak properties from polystyrene microsphere suspensions in water. Results show that the choice of the phase function greatly impacts the accuracy of the simulation when the transport mean free path (ls*) is much greater than the spatial coherence length (LSC). When ls* < LSC, a diffusion approximation based model of LEBS is sufficiently accurate. We also use the Monte Carlo model to validate that LEBS can be used to measure the radial scattering probability distribution (radial point spread function), p(r), at small length scales and demonstrate LEBS measurements of p(r) from biological tissue. In particular, we show that pre-cancerous and benign mucosal tissues have different small length scale light transport properties. PMID:21037980
Ryabishchenkova, A. G. Otrokov, M. M.; Kuznetsov, V. M.; Chulkov, E. V.
2015-09-15
Ab initio study of the adsorption, diffusion, and intercalation of alkali metal adatoms on the (0001) step surface of the topological insulator Bi{sub 2}Se{sub 3} has been performed for the case of low coverage. The calculations of the activation energies of diffusion of adatoms on the surface and in van der Waals gaps near steps, as well as the estimate of diffusion lengths, have shown that efficient intercalation through steps is possible only for Li and Na. Data obtained for K, Rb, and Cs atoms indicate that their thermal desorption at high temperatures can occur before intercalation. The results have been discussed in the context of existing experimental data.
First-principles calculations of gated adatoms on graphene
NASA Astrophysics Data System (ADS)
Chan, Kevin T.; Lee, Hoonkyung; Cohen, Marvin L.
2011-03-01
The two-dimensional surface of graphene is well-suited for adsorption of adatoms or molecules. The application of a gate voltage can be used to precisely control the electron concentration of the adsorbate-graphene system. Such control over electronic properties of adsorbates on graphene might have useful applications in areas such as catalysis and hydrogen storage. In this work, the gating of a variety of adatoms adsorbed on graphene is studied using first-principles calculations. We compute the projected density of states, local electrostatic potential, and charge density of the adatom-graphene system as a function of gate voltage. We demonstrate that adatoms on graphene can be ionized by gating, and that the ionization causes a sharp change in the electrostatic potential. Additional interesting features of our results are also discussed. This work was supported by NSF Grant No. DMR10-1006184 and DOE under Contract No. DE-AC02-05CH11231. Computational resources were provided by the IT Division at LBNL.
Spin-spin correlations of magnetic adatoms on graphene
NASA Astrophysics Data System (ADS)
Güçlü, A. D.; Bulut, Nejat
2015-03-01
We study the interaction between two magnetic adatom impurities in graphene using the Anderson model. The two-impurity Anderson Hamiltonian is solved numerically by using the quantum Monte Carlo technique. We find that the interimpurity spin susceptibility is strongly enhanced at low temperatures, significantly diverging from the well-known Ruderman-Kittel-Kasuya-Yoshida result which decays as R-3.
NASA Astrophysics Data System (ADS)
Eldon, D. P.; Tynan, G. R.; Groebner, R. J.; Osborne, T. H.; Bray, B. D.; Boivin, R. L.; Nazikian, R.
2012-10-01
The advent of the recent spatial resolution upgrade to the edge Thomson scattering diagnostic at DIII-D allows re-examination of methods for measuring electron density and temperature scale lengths. The modified hyperbolic tangent fit is widely used, however, this function is clearly inappropriate in some situations such as when density profiles are distorted by applied resonant magnetic perturbations (RMPs). In these cases, a flattening of the density profile is observed at or near the separatrix while the RMP is applied. However, no similar structure is observed in the temperature profile so far. Furthermore, the tanh fit is based on a diffusive model and recently observed differences between the tanh fit and measured profiles using newly available high spatial resolution data are revealing more subtle transport processes at the mm scale.
Reacto-Diffusive Length of N2O5 in Aqueous Sulfate- and Chloride-Containing Aerosol Particles.
Gaston, Cassandra J; Thornton, Joel A
2016-02-25
Heterogeneous reactions of dinitrogen pentoxide (N2O5) on aerosol particles impact air quality and climate, yet aspects of the relevant physical chemistry remain unresolved. One important consideration is the competing effects of diffusion and the rate of chemical reaction within the particle, which determines the length that N2O5 travels within a particle before reacting, referred to as the reacto-diffusive length (l). Large values of l imply a dependence of the reactive uptake efficiency of N2O5, i.e., γ(N2O5), on particle size. We present measurements of the size dependence of γ(N2O5) on aqueous sodium chloride, ammonium sulfate, and ammonium bisulfate particles. γ(N2O5) on ammonium sulfate and ammonium bisulfate particles ranged from 0.016 ± 0.005 to 0.036 ± 0.001 as the surface-area-weighted particle radius increased from 39 to 127 nm, resulting in an estimated l of 32 ± 6 nm. In contrast, γ(N2O5) on sodium chloride particles was independent of particle size, suggesting a near-surface reaction dominated the uptake of N2O5. Differences in the reactivity of the N2O5 intermediate, NO2(+), with water and chloride can explain the observed dependencies. These results allow for parameterizations in atmospheric models to determine a more robust population mean value of γ(N2O5) that accounts for the distribution of particle sizes.
N and Ti adatom dynamics on stoichiometric polar TiN(111) surfaces
NASA Astrophysics Data System (ADS)
Sangiovanni, D. G.; Tasnádi, F.; Hultman, L.; Petrov, I.; Greene, J. E.; Chirita, V.
2016-07-01
We use molecular dynamics (MD) based on the modified embedded atom method (MEAM) to determine diffusion coefficients and migration pathways for Ti and N adatoms (Tiad and Nad) on TiN(111). The reliability of the classical model-potential is verified by comparison with density functional theory (DFT) results at 0 K. MD simulations carried out at temperatures between 600 and 1800 K show that both Tiad and Nad favor fcc surface sites and migrate among them by passing through metastable hcp positions. We find that Nad species are considerably more mobile than Tiad on TiN(111); contrary to our previous results on TiN(001). In addition, we show that lattice vibrations at finite temperatures strongly modify the potential energy landscape and result in smaller adatom migration energies, Ea = 1.03 for Tiad and 0.61 eV for Nad, compared to 0 K values Ea0K = 1.55 (Tiad) and 0.79 eV (Nad). We also demonstrate that the inclusion of dipole corrections, neglected in previous DFT calculations, is necessary in order to obtain the correct formation energies for polar surfaces such as TiN(111).
Kinetics of vacancy diffusion on Si(111) surfaces studied by scanning reflection electron microscopy
NASA Astrophysics Data System (ADS)
Watanabe, Heiji; Ichikawa, Masakazu
1996-08-01
The kinetics of vacancy diffusion on Si(111) surfaces is studied by using scanning reflection electron microscopy (SREM). Two types of layer-by-layer etching are observed during low-energy Ar ion irradiation (500 eV) at elevated substrate temperatures. One is step retreat, which is a reversal of step-flow growth, and the other is two-dimensional vacancy island nucleation. These results show that vacancies created by low-energy ion impact diffuse on the surfaces, and are annihilated at the step edges. The vacancy diffusion kinetics on the surfaces are examined by using a SREM technique. An activation energy of 3.0+/-0.2 eV is obtained from the vacancy diffusion length estimated from the width of the denuded zone, which is created on both sides of the atomic step by thermal heating after vacancy introduction by ion irradiation at room substrate temperature. These results indicate that vacancy diffusion kinetics is dominated by monovacancy formation and diffusion. These processes require thermal excitation to overcome the potential barrier for surface diffusion of adatoms, and to overcome the barrier for lateral binding energy to release adatoms from the step edges.
Sputtering at grazing ion incidence: Influence of adatom islands
Rosandi, Yudi; Redinger, Alex; Michely, Thomas; Urbassek, Herbert M.
2010-09-15
When energetic ions impinge at grazing incidence onto an atomically flat terrace, they will not sputter. However, when adatom islands (containing N atoms) are deposited on the surface, they induce sputtering. We investigate this effect for the specific case of 83 deg. -incident 5 keV Ar ions on a Pt (111) surface by means of molecular-dynamics simulation and experiment. We find that - for constant coverage {Theta} - the sputter yield has a maximum at island sizes of N congruent with 10-20. A detailed picture explaining the decline of the sputter yield toward larger and smaller island sizes is worked out. Our simulation results are compared with dedicated sputtering experiments, in which a coverage of {Theta}=0.09 of Pt adatoms are deposited onto the Pt (111) surface and form islands with a broad distribution around a most probable size of N congruent with 20.
Giant topological insulator gap in graphene with 5d adatoms.
Hu, Jun; Alicea, Jason; Wu, Ruqian; Franz, Marcel
2012-12-28
Two-dimensional topological insulators (2D TIs) have been proposed as platforms for many intriguing applications, ranging from spintronics to topological quantum information processing. Realizing this potential will likely be facilitated by the discovery of new, easily manufactured materials in this class. With this goal in mind, we introduce a new framework for engineering a 2D TI by hybridizing graphene with impurity bands arising from heavy adatoms possessing partially filled d shells, in particular, osmium and iridium. First-principles calculations predict that the gaps generated by this means exceed 0.2 eV over a broad range of adatom coverage; moreover, tuning of the Fermi level is not required to enter the TI state. The mechanism at work is expected to be rather general and may open the door to designing new TI phases in many materials.
Vishnyakov, A. V.; Stuchinsky, V. A. Brunev, D. V.; Zverev, A. V.; Dvoretsky, S. A.
2014-03-03
In the present paper, we propose a method for evaluating the bulk diffusion length of minority charge carriers in the photosensing layer of photovoltaic focal plane array (FPA) photodetectors. The method is based on scanning a strip-shaped illumination spot with one of the detector diodes at a low level of photocurrents j{sub ph} being registered; such scanning provides data for subsequent analysis of measured spot-scan profiles within a simple diffusion model. The asymptotic behavior of the effective (at j{sub ph} ≠ 0) charge-carrier diffusion length l{sub d} {sub eff} as a function of j{sub ph} for j{sub ph} → 0 inferred from our experimental data proved to be consistent with the behavior of l{sub d} {sub eff} vs j{sub ph} as predicted by the model, while the obtained values of the bulk diffusion length of minority carriers (electrons) in the p-HgCdTe film of investigated HgCdTe n-on-p FPA photodetectors were found to be in a good agreement with the previously reported carrier diffusion-length values for HgCdTe.
Electron Doping of Ultrathin Black Phosphorus with Cu Adatoms.
Koenig, Steven P; Doganov, Rostislav A; Seixas, Leandro; Carvalho, Alexandra; Tan, Jun You; Watanabe, Kenji; Taniguchi, Takashi; Yakovlev, Nikolai; Castro Neto, Antonio H; Özyilmaz, Barbaros
2016-04-13
Few-layer black phosphorus is a monatomic two-dimensional crystal with a direct band gap that has high carrier mobility for both holes and electrons. Similarly to other layered atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is sensitive to surface impurities, adsorbates, and adatoms. Here we study the effect of Cu adatoms onto few-layer black phosphorus by characterizing few-layer black phosphorus field effect devices and by performing first-principles calculations. We find that the addition of Cu adatoms can be used to controllably n-dope few layer black phosphorus, thereby lowering the threshold voltage for n-type conduction without degrading the transport properties. We demonstrate a scalable 2D material-based complementary inverter which utilizes a boron nitride gate dielectric, a graphite gate, and a single bP crystal for both the p- and n-channels. The inverter operates at matched input and output voltages, exhibits a gain of 46, and does not require different contact metals or local electrostatic gating. PMID:26938106
Electron Doping of Ultrathin Black Phosphorus with Cu Adatoms.
Koenig, Steven P; Doganov, Rostislav A; Seixas, Leandro; Carvalho, Alexandra; Tan, Jun You; Watanabe, Kenji; Taniguchi, Takashi; Yakovlev, Nikolai; Castro Neto, Antonio H; Özyilmaz, Barbaros
2016-04-13
Few-layer black phosphorus is a monatomic two-dimensional crystal with a direct band gap that has high carrier mobility for both holes and electrons. Similarly to other layered atomic crystals, like graphene or layered transition metal dichalcogenides, the transport behavior of few-layer black phosphorus is sensitive to surface impurities, adsorbates, and adatoms. Here we study the effect of Cu adatoms onto few-layer black phosphorus by characterizing few-layer black phosphorus field effect devices and by performing first-principles calculations. We find that the addition of Cu adatoms can be used to controllably n-dope few layer black phosphorus, thereby lowering the threshold voltage for n-type conduction without degrading the transport properties. We demonstrate a scalable 2D material-based complementary inverter which utilizes a boron nitride gate dielectric, a graphite gate, and a single bP crystal for both the p- and n-channels. The inverter operates at matched input and output voltages, exhibits a gain of 46, and does not require different contact metals or local electrostatic gating.
Floquet bound states around defects and adatoms in graphene
NASA Astrophysics Data System (ADS)
Lovey, D. A.; Usaj, Gonzalo; Foa Torres, L. E. F.; Balseiro, C. A.
2016-06-01
Recent studies have focused on laser-induced gaps in graphene which have been shown to have a topological origin, thereby hosting robust states at the sample edges. While the focus has remained mainly on these topological chiral edge states, the Floquet bound states around defects lack a detailed study. In this paper we present such a study covering large defects of different shape and also vacancy-like defects and adatoms at the dynamical gap at ℏ Ω /2 (ℏ Ω being the photon energy). Our results, based on analytical calculations as well as numerics for full tight-binding models, show that the bound states are chiral and appear in a number which grows with the defect size. Furthermore, while the bound states exist regardless of the type of the defect's edge termination (zigzag, armchair, mixed), the spectrum is strongly dependent on it. In the case of top adatoms, the bound state quasienergies depend on the adatoms energy. The appearance of such bound states might open the door to the presence of topological effects on the bulk transport properties of dirty graphene.
NASA Astrophysics Data System (ADS)
Erickson, Michael J.; Leighton, Chris; Crowell, Paul A.
2010-03-01
We report measurements of the T dependence of the non-local spin signal in lateral metallic spin valves with transparent ferromagnet (FM) / normal metal (N) interfaces. We have employed complementary spin valve and Hanle effect measurements to systematically study spin injection and relaxation. Devices were deposited in UHV from high purity sources of all four combinations of Ni0.8Fe0.2 or Co FM's and Cu or Al N channels. Devices of width 250 nm, thicknesses 200 - 400 nm, and FM contact separations (d = 250 to 2000 nm) were fabricated on a single substrate using an in-situ shadow masking technique. δRNL measurements show a very different T dependence for NiFe and Co devices while showing similar behavior for both Al and Cu. This is generally consistent with the measured resistivities and modeling based on the assumption of transparent interfaces. Fitting δRNL vs. d yields a spin diffusion length with weak T dependence for both Al and Cu and is independent of FM. Hanle effect measurements confirm a consistent picture of spin relaxation. Work supported by the University of Minnesota NSF MRSEC.
NASA Technical Reports Server (NTRS)
Vonroos, O.
1978-01-01
A standard procedure for the determination of the minority carrier diffusion length by means of a scanning electron microscope (SEM) consists in scanning across an angle-lapped surface of a P-N junction and measuring the resultant short circuit current I sub sc as a function of beam position. A detailed analysis of the I sub sc originating from this configuration is presented. It is found that, for a point source excitation, the I sub sc depends very simply on x, the variable distance between the surface and the junction edge. The expression for the I sub sc of a planar junction device is well known. If d, the constant distance between the plane of the surface of the semiconductor and the junction edge in the expression for the I of a planar junction is merely replaced by x, the variable distance of the corresponding angle-lapped junction, an expression results which is correct to within a small fraction of a percent as long as the angle between the surfaces, 2 theta sub 1, is smaller than 10 deg.
NASA Astrophysics Data System (ADS)
Bao, Zhi-qiang; Shi, Jun-jie; Zhang, Min
2013-05-01
The electronic structure and magnetic characteristics of Klein graphene nanoribbons (KGNRs), as observed by Suenaga and Koshino [K. Suenaga and M. Koshino, Nature 468, 1088 (2010)], are investigated using first-principles calculations. We find three new characteristics induced by the Klein boundary. First, the localized edge states in the KGNRs have a ferromagnetic coupling rather than the antiferromagnetic coupling of the zigzag graphene nanoribbons (ZGNRs). Lieb's theorem is no longer applicable in the KGNRs. Second, the marginal single carbon adatom of the ZGNRs can destroy the edge states nearby. The edge states can recover if the length of the zigzag chains is equal to or greater than five times that of the lattice constant. Finally, we show that the pentagon-heptagon edge can be induced from the Klein boundary.
Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals
Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong
2015-02-27
Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore » in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less
Solar cells. Electron-hole diffusion lengths > 175 μm in solution-grown CH3NH3PbI3 single crystals.
Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong
2015-02-27
Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm(-2)) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. The long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.
Electronic Nature of Step-edge Barriers Against Adatom Descent on Transition-metal Surfaces
Mo, Yina; Zhu, Wenguang; Kaxiras, Efthimios; Zhang, Zhenyu
2008-01-01
The activation barriers against adatom migration on terraces and across steps play an essential role in determining the growth morphology of surfaces, interfaces, and thin lms. By studying a series of adatoms on representative transition metal surfaces through extensive rst-principles calculations, we establish a clear correlation between the preferred mechanism and activation energy for adatom descent at a step and the relative degree of electronic shell lling between the adatom and the substrate. We also nd an approximate linear relation between the adatom hopping barriers at step edges and the adatom-surface bonding strength. These results may serve as simple guiding rules for predicting the precise atomic nature of surface morphologies in heteroepitaxial growth such as nanowires.
Homogenization of reconstructed crystal surfaces: Fick's law of diffusion.
Margetis, Dionisios
2009-05-01
Fick's law for the diffusion of adsorbed atoms (adatoms) on crystal surfaces below roughening is generalized to account for surface reconstruction. In this case, material parameters vary spatially at the microscale, and the coarse graining for crystal steps via Taylor expansions is not strictly applicable. By invoking elements of the theory of composites in one independent space dimension, we homogenize the microscale description to derive the macroscopic adatom flux from step kinetics. This approach relies on a multiscale expansion for the adatom density. The effective surface diffusivity is determined through appropriate discrete averages of microscale kinetic parameters.
An ion-beam technique for measuring surface diffusion coefficients
NASA Astrophysics Data System (ADS)
DeLuca, P. M.; Labanda, J. G. C.; Barnett, S. A.
1999-03-01
The effective surface diffusion coefficient of Ga along the [110] direction on vicinal GaAs(001)2×4 surfaces during molecular-beam epitaxy was measured using specular ion current measurements. In this technique, 3 keV Ar ions were impinged upon the surface at a glancing angle (typically 3°), and the specularly scattered ion current was measured. Since specular reflections require a locally flat surface, adatoms cause a decrease in the measured current, allowing an average adatom density measurement. The time dependence of the Ga adatom population was measured during and after Ga deposition. Diffusion coefficients, obtained from the adatom lifetimes using a simple model of diffusion to the step edges, were fit well by the expression D=2×10-9 exp(-0.73 eV/kT)cm2/s from 400 to 600 °C.
Chen, Y. T.; Karlsson, K. F.; Birch, J.; Holtz, P. O.
2016-01-01
Direct measurements of carrier diffusion in GaN nanorods with a designed InGaN/GaN layer-in-a-wire structure by scanning near-field optical microscopy (SNOM) were performed at liquid-helium temperatures of 10 K. Without an applied voltage, intrinsic diffusion lengths of photo-excited carriers were measured as the diameters of the nanorods differ from 50 to 800 nm. The critical diameter of nanorods for carrier diffusion is concluded as 170 nm with a statistical approach. Photoluminescence spectra were acquired for different positions of the SNOM tip on the nanorod, corresponding to the origins of the well-defined luminescence peaks, each being related to recombination-centers. The phenomenon originated from surface oxide by direct comparison of two nanorods with similar diameters in a single map has been observed and investigated. PMID:26876009
Atomistic simulation of the electronic states of adatoms in monolayer MoS2
NASA Astrophysics Data System (ADS)
Chang, Jiwon; Larentis, Stefano; Tutuc, Emanuel; Register, Leonard F.; Banerjee, Sanjay K.
2014-04-01
Using an ab initio density functional theory based electronic structure method, we study the effects of adatoms on the electronic properties of monolayer transition metal dichalcogenide Molybdenum-disulfide (MoS2). We consider the 1st (Li, Na, K) and 7th (F, Cl, Br) column atoms and metals (Sc, Ti, Ta, Mo, Pd, Pt, Ag, Au). Three high symmetry sites for the adatom on the surface of monolayer MoS2 are examined as starting points to search for the most energetically stable configuration for each adatom-monolayer MoS2 system, as well as the type of associated bonding. For the most stable adatom positions, we characterize the emergence of adatom-induced electronic states including any dopant states.
Light adatoms influences on electronic structures of the two-dimensional arsenene nanosheets
NASA Astrophysics Data System (ADS)
Li, Yang; Xia, Congxin; Wang, Tianxing; Tan, Xiaoming; Zhao, Xu; Wei, Shuyi
2016-03-01
Gray arsenic monolayer named as arsenene is a new kind of two-dimensional (2D) semiconductor material. Herein, we focus on the electronic structures of the light atoms (such as B, C, N, O, F) adsorbed arsenene nanosheets by using first-principles calculations. The results show that most adatoms prefer to occupy the bridge site on the arsenene nanosheets except for the C adatom which prefer to valley site. The defect states can be found in the middle gap of the F adsorbed arsenene nanosheets, and N adatom can induce the n-type doping in the system. Moreover, O adatom has negligible effects on its electronic structures. In addition, B, C, N and F adatoms can induce the magnetism in the arsenene nanosheets.
Theoretical study of optical conductivity of graphene with magnetic and nonmagnetic adatoms
NASA Astrophysics Data System (ADS)
Majidi, Muhammad Aziz; Siregar, Syahril; Rusydi, Andrivo
2014-11-01
We present a theoretical study of the optical conductivity of graphene with magnetic and nonmagnetic adatoms. First, by introducing an alternating potential in a pure graphene, we demonstrate a gap formation in the density of states and the corresponding optical conductivity. We highlight the distinction between such a gap formation and the so-called Pauli blocking effect. Next, we apply this idea to graphene with adatoms by introducing magnetic interactions between the carrier spins and the spins of the adatoms. Exploring various possible ground-state spin configurations of the adatoms, we find that the antiferromagnetic configuration yields the lowest total electronic energy and is the only configuration that forms a gap. Furthermore, we analyze four different circumstances leading to similar gaplike structures and propose a means to interpret the magneticity and the possible orderings of the adatoms on graphene solely from the optical conductivity data. We apply this analysis to the recently reported experimental data of oxygenated graphene.
Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110) Surfaces
Lyubinetsky, Igor; Du, Yingge; Deskins, N. Aaron; Zhang, Zhenrong; Dohnalek, Zdenek; Dupuis, Michel
2010-08-04
Atomic-level investigation of the interaction of H2O with a partially re-oxidized TiO2(110) has been performed at 300 K by combining scanning tunneling microscopy and density functional theory. In particular, we demonstrate that oxygen adatoms (Oa), produced during O2 exposure of reduced TiO2(110) surfaces, alter water dissociation/ recombination chemistry through two different pathways. When H2O diffuses to Oa on the same Ti row, it becomes trapped near the Oa, exchanges a proton easily to dissociate and form a pair of terminal hydroxyls (OHt) along the row, which can then readily recombine and re-dissociate many times or overcome the barrier to move away. When H2O passes along the Oa on an adjacent row, an across-row proton transfer facilitated by the bridging O atom results in spontaneous dissociation of H2O on a Ti trough leading to the formation of a stable across-row OHt pair, which after awhile can recombine and H2O diffuses away. The across-row process has not been reported previously, and it starts from a ‘‘pseudo-dissociated’’ state of water. We also show how the H2O dissociation and OHt pair statistical reformation induce an apparent along- or across-row shift of Oa as a result of the oxygen scrambling process between H2O and Oa.
Abundant topological states in silicene with transition metal adatoms
NASA Astrophysics Data System (ADS)
Zhang, Jiayong; Zhao, Bao; Yang, Zhongqin
2013-10-01
Electronic and topological properties of silicene adsorbed with 4d transition metal (TM) atoms are investigated by using ab initio methods together with tight-binding models. All six kinds of TM adatoms (Y to Ru) we studied prefer hollow sites of silicene. The interplay of TM-induced exchange interactions, spin-orbit coupling, and staggered AB-sublattice potential triggers abundant topological states, including quantum anomalous Hall (QAH) states, valley Hall states, and valley-polarized metallic states. Particularly, QAH states with different Chern numbers are obtained, which is -2 in the Nb/Ru doped system and 1 in the Y doped system. Our results indicate that great potential for information processing applications exists in these systems of silicene adsorbed with TM atoms.
Chern mosaic: topology of chiral superconductivity in ferromagnetic adatom lattices
NASA Astrophysics Data System (ADS)
Rontynen, Joel; Ojanen, Teemu
Recent experiments have demonstrated signatures of Majorana bound states in ferromagnetic atomic chains. We show that similar systems, extended to two dimensional geometry, may support chiral topological superconductivity with large Chern numbers. Our observation is based on the fact that magnetic adatoms on an s-wave superconductor bind subgap Shiba states, which can hybridize and form subgap energy bands with nontrivial topology. Such a Shiba lattice supports long-range hopping, leading to a complex, mosaic-like phase diagram with large Chern numbers. We analyze the incidence of different Chern numbers phases and the size of their energy gaps for various lattice geometries. Our findings reveal the studied system as one of the riches platforms of topological matter known to date. The authors acknowledge the Finnish Cultural Foundation and the Academy of Finland for support.
Electronic transport experiments on osmium-adatom-decorated graphene
NASA Astrophysics Data System (ADS)
Elias, Jamie; Henriksen, Erik
Monolayer graphene is theoretically predicted to inherit a spin-orbit coupling from a dilute coating of certain transition metal adatoms. To explore these predictions we have constructed a cryogenic probe capable of in situ thermal annealing of graphene followed immediately by electronic transport measurements and controlled deposition of sub-monolayer coatings of most any metal. Previously a light coating of indium on graphene was investigated, and found to transfer electrons to graphene and reduce the mobility although no evidence of an induced spin-orbit coupling was seen. We are now depositing osmium and tungsten on graphene devices. Our initial results show an unexpected hole-doping and a sizable increase in resistance of the sample. We will report our progress on characterizing these samples by electronic transport measurements.
Single adatom dynamics at monatomic steps of free-standing few-layer reduced graphene
Chang, Haixin; Saito, Mitsuhiro; Nagai, Takuro; Liang, Yunye; Kawazoe, Yoshiyuki; Wang, Zhongchang; Wu, Hongkai; Kimoto, Koji; Ikuhara, Yuichi
2014-01-01
Steps and their associated adatoms extensively exist and play prominent roles in affecting surface properties of materials. Such impacts should be especially pronounced in two-dimensional, atomically-thin membranes like graphene. However, how single adatom behaves at monatomic steps of few-layer graphene is still illusive. Here, we report dynamics of individual adatom at monatomic steps of free-standing few-layer reduced graphene under the electron beam radiations, and demonstrate the prevalent existence of monatomic steps even down to unexpectedly ultrasmall lateral size of a circular diameter of ~5 Å. Single adatom prefers to stay at the edges of the atomic steps of few-layer reduced graphene and evolve with the steps. Moreover, we also find that how the single adatom behaves at atomic step edges can be remarkably influenced by the type of adatoms and step edges. Such single adatoms at monatomic steps and ultrasmall atomic steps open up a new window for surface physics and chemistry for graphene-based as well as other two-dimensional materials. PMID:25113125
Surface Modifications by Field Induced Diffusion
Olsen, Martin; Hummelgård, Magnus; Olin, Håkan
2012-01-01
By applying a voltage pulse to a scanning tunneling microscope tip the surface under the tip will be modified. We have in this paper taken a closer look at the model of electric field induced surface diffusion of adatoms including the van der Waals force as a contribution in formations of a mound on a surface. The dipole moment of an adatom is the sum of the surface induced dipole moment (which is constant) and the dipole moment due to electric field polarisation which depends on the strength and polarity of the electric field. The electric field is analytically modelled by a point charge over an infinite conducting flat surface. From this we calculate the force that cause adatoms to migrate. The calculated force is small for voltage used, typical 1 pN, but due to thermal vibration adatoms are hopping on the surface and even a small net force can be significant in the drift of adatoms. In this way we obtain a novel formula for a polarity dependent threshold voltage for mound formation on the surface for positive tip. Knowing the voltage of the pulse we then can calculate the radius of the formed mound. A threshold electric field for mound formation of about 2 V/nm is calculated. In addition, we found that van der Waals force is of importance for shorter distances and its contribution to the radial force on the adatoms has to be considered for distances smaller than 1.5 nm for commonly used voltages. PMID:22253894
Self-organization of Ce adatoms on Ag(111) : A kinetic Monte Carlo study
NASA Astrophysics Data System (ADS)
Negulyaev, N. N.; Stepanyuk, V. S.; Niebergall, L.; Hergert, W.; Fangohr, H.; Bruno, P.
2006-07-01
One of the most fascinating experimental results in fabrication of artificial nanostructures is the creation of the macroscopically ordered superlattice of Ce adatoms on Ag(111) [F. Silly , Phys. Rev. Lett. 92, 016101 (2004)]. Here, performing kinetic Monte Carlo simulations, we study the formation of Ce superlattice at the atomic scale. It is demonstrated that the surface-state mediated long-range interaction between Ce adatoms can lead to their self-assembly into a well ordered structure. The temperature of the substrate and the concentration of Ce adatoms are shown to play a key role in this process.
NASA Technical Reports Server (NTRS)
Hakimzadeh, Roshanak; Moeller, Hans J.; Bailey, Sheila
1991-01-01
The minority carrier diffusion length (Lp) and the surface recombination velocity (Vs) were measured as a function of distance (x) from the p-n junction in GaAs p/n concentrator solar cells. The measured Vs values were used in a theoretical expression for the normalized electron-beam-induced current. A fitting procedure was then used to fit this expression with experimental values to obtain Lp. The results show that both Vs and Lp vary with x. Lp measured in irradiated cells showed a marked reduction. These values were compared to those measured previously which did not account for Vs.
Giant magnetic anisotropy of Co, Ru, and Os adatoms on MgO (001) surface
NASA Astrophysics Data System (ADS)
Wang, Hongbo; Ou, Xuedong; Fan, Fengren; Li, Zhengwei; Wu, Hua
Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I.G. Rau et al., Science 344, 988 (2014)] that individual Co adatom on MgO (001) surface has a large MAE of more than 60 meV. More importantly, we predict that a giant MAE up to 110 meV could be realized for Ru adatoms on MgO (001), and even more for the Os adatoms (208 meV). This is a joint effect of the special ligand field, orbital multiplet, and significant spin-orbit interaction, in the intermediate-spin state of the Ru or Os adatoms on top of the surface oxygens. The giant MAE could provide a route to atomic scale memory.
Giant Magnetic Anisotropy of Co, Ru, and Os Adatoms on MgO (001) Surface
NASA Astrophysics Data System (ADS)
Ou, Xuedong; Wang, Hongbo; Fan, Fengren; Li, Zhengwei; Wu, Hua
2015-12-01
Large magnetic anisotropy energy (MAE) is desirable and critical for nanoscale magnetic devices. Here, using ligand-field level diagrams and density functional calculations, we well explain the very recent discovery [I. G. Rau et al., Science 344, 988 (2014)] that an individual Co adatom on a MgO (001) surface has a large MAE of more than 60 meV. More importantly, we predict that a giant MAE up to 110 meV could be realized for Ru adatoms on MgO (001), and even more for the Os adatoms (208 meV). This is a joint effect of the special ligand field, orbital multiplet, and significant spin-orbit interaction, in the intermediate-spin state of the Ru or Os adatoms on top of the surface oxygens. The giant MAE could provide a route to atomic scale memory.
Kedem, Nir; Brenner, Thomas M; Kulbak, Michael; Schaefer, Norbert; Levcenko, Sergiu; Levine, Igal; Abou-Ras, Daniel; Hodes, Gary; Cahen, David
2015-07-01
High band gap, high open-circuit voltage solar cells with methylammonium lead tribromide (MAPbBr3) perovskite absorbers are of interest for spectral splitting and photoelectrochemical applications, because of their good performance and ease of processing. The physical origin of high performance in these and similar perovskite-based devices remains only partially understood. Using cross-sectional electron-beam-induced current (EBIC) measurements, we find an increase in carrier diffusion length in MAPbBr3(Cl)-based solar cells upon low intensity (a few percent of 1 sun intensity) blue laser illumination. Comparing dark and illuminated conditions, the minority carrier (electron) diffusion length increases about 3.5 times from Ln = 100 ± 50 nm to 360 ± 22 nm. The EBIC cross section profile indicates a p-n structure between the n-FTO/TiO2 and p-perovskite, rather than the p-i-n structure, reported for the iodide derivative. On the basis of the variation in space-charge region width with varying bias, measured by EBIC and capacitance-voltage measurements, we estimate the net-doping concentration in MAPbBr3(Cl) to be 3-6 × 10(17) cm(-3).
Surface Coordination of Adatoms by Scanned Low Energy Photoelectron Diffraction
NASA Astrophysics Data System (ADS)
Asensio, M. C.
In this article, a brief overview of the current activity in the field of low energy photoelectron diffraction is presented. Although alternatively angle and energy-scanned photoelectron diffraction can be used to obtain the surface-structural information, we limit our discussion to the low energy and energy-scanned modes and their use in connection with a new developed direct method. By the use of this most recent approach, adatom-substrate distances and adsorption sites are directly revealed from a discrete mapping of the Fourier transform of scanned energy photoelectron diffraction spectra, measured at a representative set of geometries, which depend on the symmetry of the particular studied system. In addition, a short discussion on the determination of the detailed structure of adsorbed overlayers by the traditional trial-and-error method is included, using model multiple scattering calculations. These latest developments are illustrated with a specific example of an atomic adsorbate, and comments about the capabilities and limitations of photoelectron diffraction as a structural technique in new fields.
A local view of bonding and diffusion at metal surfaces
Feibelman, P.J.
1996-09-01
First-principles density functional calculations and corresponding experimental results underline the importance of basic chemical concepts, such as coordination, valence saturation and promotion-hybridization energetics, in understanding bonding and diffusion of atoms at and on metal surfaces. Several examples are reviewed, including outer-layer relaxations of clean hcp(0001) surfaces, liquid-metal-embrittlement energetics, separation energies of metal-adatom dimers, concerted substitutional self-diffusion on fcc(001) surfaces, and adsorption and diffusion barrier sites for adatoms near steps.
NASA Astrophysics Data System (ADS)
Nzoghe-Mendome, L.; Aloufy, A.; Ebothé, J.; El Messiry, M.; Hui, D.
2009-02-01
The surface growth and roughening of nano-crystallised Ni electrodeposits prepared at the same conditions have been studied on Cu, Au and ITO substrates. The Ni films obtained are characterised by the same face-centred cubic structure with a texture affected by the substrate chemical nature. Practically, the same small-sized grains of 83 nm mean height depicting a statistical mono-mode feature grow on Cu. A three-modal feature corresponding to the biggest and compact crystallites of 335, 368 and 400 nm mean height is obtained with Au. Two typical modes, respectively, linked to isolated big crystallites of 343 nm mean height and large zones of small grains of 170 nm height, result from the ITO effect. The surface transport properties of Ni ad-atoms on each substrate have been studied from the theoretical approach including the film global roughness measured by AFM. It is shown that the ad-atom diffusion coefficients ( D s) ranged in the interval 10 -10-10 -9 cm 2 s -1 are greatly affected by the non-equilibrium conditions of the film formation. Cu and ITO, respectively, lead to Λ s=11.92 and 14.30 nm, while the higher D s value and diffusion length Λ s=37.32 nm are obtained with Au substrate.
Drew, A J; Hoppler, J; Schulz, L; Pratt, F L; Desai, P; Shakya, P; Kreouzis, T; Gillin, W P; Suter, A; Morley, N A; Malik, V K; Dubroka, A; Kim, K W; Bouyanfif, H; Bourqui, F; Bernhard, C; Scheuermann, R; Nieuwenhuys, G J; Prokscha, T; Morenzoni, E
2009-02-01
Electronic devices that use the spin degree of freedom hold unique prospects for future technology. The performance of these 'spintronic' devices relies heavily on the efficient transfer of spin polarization across different layers and interfaces. This complex transfer process depends on individual material properties and also, most importantly, on the structural and electronic properties of the interfaces between the different materials and defects that are common to real devices. Knowledge of these factors is especially important for the relatively new field of organic spintronics, where there is a severe lack of suitable experimental techniques that can yield depth-resolved information about the spin polarization of charge carriers within buried layers of real devices. Here, we present a new depth-resolved technique for measuring the spin polarization of current-injected electrons in an organic spin valve and find the temperature dependence of the measured spin diffusion length is correlated with the device magnetoresistance. PMID:19029892
NASA Astrophysics Data System (ADS)
Mahmoudzadeh, Batoul; Liu, Longcheng; Moreno, Luis; Neretnieks, Ivars
2016-05-01
The paper presents a model development to derive a semi-analytical solution to describe reactive solute transport through a single channel in a fracture with cylindrical geometry. The model accounts for advection through the channel, radial diffusion into the adjacent heterogeneous rock matrix comprising different geological layers, adsorption on both the channel surface, and the geological layers of the rock matrix and radioactive decay chain. Not only an arbitrary-length decay chain, but also as many number of the rock matrix layers with different properties as observed in the field can be handled. The solution, which is analytical in the Laplace domain, is transformed back to the time domain numerically e.g. by use of de Hoog algorithm. The solution is verified against experimental data and analytical solutions of limiting cases of solute transport through porous media. More importantly, the relative importance and contribution of different processes on solute transport retardation in fractured rocks are investigated by simulating several cases of varying complexity. The simulation results are compared with those obtained from rectangular model with linear matrix diffusion. It is found that the impact of channel geometry on breakthrough curves increases markedly as the transport distance along the flow channel and away into the rock matrix increase. The effect of geometry is more pronounced for transport of a decay chain when the rock matrix consists of a porous altered layer.
Interaction of CO2 with Oxygen Adatoms on Rutile TiO2(110)
Lin, Xiao; Wang, Zhitao; Lyubinetsky, Igor; Kay, Bruce D.; Dohnalek, Zdenek
2013-01-10
The interactions of CO2 with oxygen adatoms (Oa’s) on rutile TiO2(110) surfaces have been studied using scanning tunneling microscopy. At 50 K CO2 is found to adsorb preferentially on five-coordinated Ti sites (Ti5c’s) next to Oa’s rather than on oxygen vacancies (VO’s) (the most stable adsorption sites on reduced TiO2(110)). Temperature dependent studies show that after annealing to 100 - 150 K, VO’s become preferentially populated indicating the presence of a kinetic barrier for CO2 adsorption into the VO’s. The difference between the CO2 binding energy on VO’s and Ti5c sites next to the Oa’s are found to be only 0.009 - 0.025 eV. The barrier for CO2 diffusion away from Oa’s is estimated to be ~0.17 eV. Crescent-like feature of the images of CO2 adsorbed on Ti5c’s next to Oa’s are interpreted as a time average of terminally bound CO2 molecules switching between the configurations that are tilted towards Oa and/or towards one of the two neighboring bridging oxygen (Ob) rows. In the presence of VO defects, CO2 is found to tilt preferentially away from the VO containing Ob row. If another CO2 is present on the neighboring Ti5c row, both CO2 molecules tilt towards the common Ob row that separates them.
Relating adatom emission to improved durability of Pt-Pd diesel oxidation catalysts
Johns, Tyne Richele; Goeke, Ronald S.; Ashbacher, Valerie; Thune, Peter C.; Niemantsverdriet, J. W.; Kiefer, Boris; Kim, Chang H.; Balogh, Michael P.; Datye, Abhaya K.
2015-06-05
Sintering of nanoparticles is an important contributor to loss of activity in heterogeneous catalysts, such as those used for controlling harmful emissions from automobiles. But mechanistic details, such as the rates of atom emission or the nature of the mobile species, remain poorly understood. Herein we report a novel approach that allows direct measurement of atom emission from nanoparticles. We use model catalyst samples and a novel reactor that allows the same region of the sample to be observed after short-term heat treatments (seconds) under conditions relevant to diesel oxidation catalysts (DOCs). Monometallic Pd is very stable and does notmore » sinter when heated in air (T ≤ 800 °C). Pt sinters readily in air, and at high temperatures (≥800 °C) mobile Pt species emitted to the vapor phase cause the formation of large, faceted particles. In Pt–Pd nanoparticles, Pd slows the rate of emission of atoms to the vapor phase due to the formation of an alloy. However, the role of Pd in Pt DOCs in air is quite complex: at low temperatures, Pt enhances the rate of Pd sintering (which otherwise would be stable as an oxide), while at higher temperature Pd helps to slow the rate of Pt sintering. DFT calculations show that the barrier for atom emission to the vapor phase is much greater than the barrier for emitting atoms to the support. Thus, vapor-phase transport becomes significant only at high temperatures while diffusion of adatoms on the support dominates at lower temperatures.« less
Relating adatom emission to improved durability of Pt-Pd diesel oxidation catalysts
Johns, Tyne Richele; Goeke, Ronald S.; Ashbacher, Valerie; Thune, Peter C.; Niemantsverdriet, J. W.; Kiefer, Boris; Kim, Chang H.; Balogh, Michael P.; Datye, Abhaya K.
2015-06-05
Sintering of nanoparticles is an important contributor to loss of activity in heterogeneous catalysts, such as those used for controlling harmful emissions from automobiles. But mechanistic details, such as the rates of atom emission or the nature of the mobile species, remain poorly understood. Herein we report a novel approach that allows direct measurement of atom emission from nanoparticles. We use model catalyst samples and a novel reactor that allows the same region of the sample to be observed after short-term heat treatments (seconds) under conditions relevant to diesel oxidation catalysts (DOCs). Monometallic Pd is very stable and does not sinter when heated in air (T ≤ 800 °C). Pt sinters readily in air, and at high temperatures (≥800 °C) mobile Pt species emitted to the vapor phase cause the formation of large, faceted particles. In Pt–Pd nanoparticles, Pd slows the rate of emission of atoms to the vapor phase due to the formation of an alloy. However, the role of Pd in Pt DOCs in air is quite complex: at low temperatures, Pt enhances the rate of Pd sintering (which otherwise would be stable as an oxide), while at higher temperature Pd helps to slow the rate of Pt sintering. DFT calculations show that the barrier for atom emission to the vapor phase is much greater than the barrier for emitting atoms to the support. Thus, vapor-phase transport becomes significant only at high temperatures while diffusion of adatoms on the support dominates at lower temperatures.
Malin, T. V. Gilinsky, A. M.; Mansurov, V. G.; Protasov, D. Yu.; Kozhuhov, A. S.; Yakimov, E. B.; Zhuravlev, K. S.
2015-10-15
The room-temperature diffusion length of minority carriers in n-Al{sub 0.1}Ga{sub 0.9}N layers grown by ammonia molecular beam epitaxy on sapphire (0001) substrates used in structures for ultraviolet photodetectors is studied. Measurements were performed using the spectral dependence of the photocurrent recorded in a built-in p–n junction for thin samples and using the induced electron-current procedure for films up to 2 µm thick. The results show that the hole diffusion length in n-AlGaN films is 120–150 nm, which is larger than in GaN films grown under similar growth conditions by a factor of 3–4. This result can be associated with the larger lateral sizes characteristic of hexagonal columns in AlGaN layers grown by molecular beam epitaxy. No increase in the hole diffusion length is observed for thicker films.
Gangamallaiah, V; Dutt, G B
2013-10-10
Rotational diffusion of a nonpolar solute 9-phenylanthracene (9-PA) and a cationic solute rhodamine 110 (R110) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = octyl, decyl, dodecyl, tetradecyl, hexadecyl, and octadecyl) bis(trifluoromethylsulfonyl)imides to understand the influence of alkyl chain length on solute rotation. In this study, reorientation times (τr) have been measured as a function of viscosity (η) by varying the temperature (T) of the solvents. These results have been analyzed using the Stokes-Einstein-Debye (SED) hydrodynamic theory along with the ones obtained for the same solutes in 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides (Gangamallaiah and Dutt, J. Phys. Chem. B 2012, 116, 12819-12825). It has been noticed that the data for 9-PA and R110 follows the relation τr = A(η/T)(n) with A being the ratio of hydrodynamic volume of the solute to the Boltzmann constant and n = 1 as envisaged by the SED theory. However, upon increasing the alkyl chain length from methyl to octadecyl significant deviations from the SED theory have been observed especially from the octyl derivative onward. From methyl to octadecyl derivatives, the value of A decreases by a factor of 3 for both the solutes and n by a factor of 1.4 and 1.6 for 9-PA and R110, respectively. These observations have been rationalized by taking into consideration the organized structure of the ionic liquids, whose influence appears to be pronounced when the number of carbon atoms in the alkyl chain attached to the imidazolium cation exceeds eight.
NASA Astrophysics Data System (ADS)
Akutsu, Keiichi; Kawakami, Hideki; Suzuno, Mitsushi; Yaguchi, Takashi; Jiptner, Karolin; Chen, Jun; Sekiguchi, Takashi; Ootsuka, Teruhisa; Suemasu, Takashi
2011-06-01
We have epitaxially grown undoped β-FeSi2 films on Si(111) substrates via atomic-hydrogen-assisted molecular-beam epitaxy. β-FeSi2 films grown without atomic hydrogen exhibited p-type conduction with a hole density of over 1019 cm-3 at room temperature (RT). In contrast, those prepared with atomic hydrogen showed n-type conduction and had a residual electron density that was more than two orders of magnitude lower than the hole density of films grown without atomic hydrogen (of the order of 1016 cm-3 at RT). The minority-carrier diffusion length was estimated to be approximately 16 μm using an electron-beam-induced current technique; this value is twice as large as that for β-FeSi2 prepared without atomic hydrogen. This result could be well explained in terms of the minority-carrier lifetimes measured by a microwave photoconductance decay technique. The 1/e decay time using a 904 nm laser pulse was approximately 17 μs, which is much longer than that for β-FeSi2 prepared without atomic hydrogen (3 μs). The photoresponsivity reached 13 mA/W at 1.31 μm, which is the highest value ever reported for β-FeSi2 films.
Akutsu, Keiichi; Kawakami, Hideki; Suzuno, Mitsushi; Yaguchi, Takashi; Jiptner, Karolin; Chen, Jun; Sekiguchi, Takashi; Ootsuka, Teruhisa; Suemasu, Takashi
2011-06-15
We have epitaxially grown undoped {beta}-FeSi{sub 2} films on Si(111) substrates via atomic-hydrogen-assisted molecular-beam epitaxy. {beta}-FeSi{sub 2} films grown without atomic hydrogen exhibited p-type conduction with a hole density of over 10{sup 19} cm{sup -3} at room temperature (RT). In contrast, those prepared with atomic hydrogen showed n-type conduction and had a residual electron density that was more than two orders of magnitude lower than the hole density of films grown without atomic hydrogen (of the order of 10{sup 16} cm{sup -3} at RT). The minority-carrier diffusion length was estimated to be approximately 16 {mu}m using an electron-beam-induced current technique; this value is twice as large as that for {beta}-FeSi{sub 2} prepared without atomic hydrogen. This result could be well explained in terms of the minority-carrier lifetimes measured by a microwave photoconductance decay technique. The 1/e decay time using a 904 nm laser pulse was approximately 17 {mu}s, which is much longer than that for {beta}-FeSi{sub 2} prepared without atomic hydrogen (3 {mu}s). The photoresponsivity reached 13 mA/W at 1.31 {mu}m, which is the highest value ever reported for {beta}-FeSi{sub 2} films.
Electronic transport in the quantum spin Hall state due to the presence of adatoms in graphene
NASA Astrophysics Data System (ADS)
Lima, Leandro; Lewenkopf, Caio
Heavy adatoms, even at low concentrations, are predicted to turn a graphene sheet into a topological insulator with substantial gap. The adatoms mediate the spin-orbit coupling that is fundamental to the quantum spin Hall effect. The adatoms act as local spin-orbit scatterer inducing hopping processes between distant carbon atoms giving origin to transverse spin currents. Although there are effective models that describe spectral properties of such systems with great detail, quantitative theoretical work for the transport counterpart is still lacking. We developed a multiprobe recursive Green's function technique with spin resolution to analyze the transport properties for large geometries. We use an effective tight-binding Hamiltonian to describe the problem of adatoms randomly placed at the center of the honeycomb hexagons, which is the case for most transition metals. Our choice of current and voltage probes is favorable to experiments since it filters the contribution of only one spin orientation, leading to a quantized spin Hall conductance of e2 / h . We also discuss the electronic propagation in the system by imaging the local density of states and the electronic current densities. The authors acknowledge the Brazilian agencies CNPq, CAPES, FAPERJ and INCT de Nanoestruturas de Carbono for financial support.
Effects of extrinsic point defects in phosphorene: B, C, N, O, and F adatoms
Wang, Gaoxue E-mail: pandey@mtu.edu Pandey, Ravindra E-mail: pandey@mtu.edu; Karna, Shashi P. E-mail: pandey@mtu.edu
2015-04-27
Phosphorene is emerging as a promising 2D semiconducting material with a direct band gap and high carrier mobility. In this paper, we examine the role of the extrinsic point defects including surface adatoms in modifying the electronic properties of phosphorene using density functional theory. The surface adatoms considered are B, C, N, O, and F with a [He] core electronic configuration. Our calculations show that B and C, with electronegativity close to P, prefer to break the sp{sup 3} bonds of phosphorene and reside at the interstitial sites in the 2D lattice by forming sp{sup 2} like bonds with the native atoms. On the other hand, N, O, and F, which are more electronegative than P, prefer the surface sites by attracting the lone pairs of phosphorene. B, N, and F adsorption will also introduce local magnetic moment to the lattice. Moreover, B, C, N, and F adatoms will modify the band gap of phosphorene, yielding metallic transverse tunneling characters. Oxygen does not modify the band gap of phosphorene, and a diode like tunneling behavior is observed. Our results therefore offer a possible route to tailor the electronic and magnetic properties of phosphorene by the adatom functionalization and provide the physical insights of the environmental sensitivity of phosphorene, which will be helpful to experimentalists in evaluating the performance and aging effects of phosphorene-based electronic devices.
RKKY-like contributions to the magnetic anisotropy energy: 3 d adatoms on Pt(111) surface
NASA Astrophysics Data System (ADS)
Bouhassoune, Mohammmed; Dias, Manuel dos Santos; Zimmermann, Bernd; Dederichs, Peter H.; Lounis, Samir
2016-09-01
The magnetic anisotropy energy defines the energy barrier that stabilizes a magnetic moment. Utilizing density-functional-theory-based simulations and analytical formulations, we establish that this barrier is strongly modified by long-range contributions very similar to Friedel oscillations and Rudermann-Kittel-Kasuya-Yosida interactions. Thus, oscillations are expected and observed, with different decaying factors and highly anisotropic in realistic materials, which can switch nontrivially the sign of the magnetic anisotropy energy. This behavior is general, and for illustration we address the transition-metal adatoms, Cr, Mn, Fe, and Co deposited on a Pt(111) surface. We explain, in particular, the mechanisms leading to the strong site dependence of the magnetic anisotropy energy observed for Fe adatoms on a Pt(111) surface as revealed previously via first-principles-based simulations and inelastic scanning tunneling spectroscopy [A. A. Khajetoorians et al., Phys. Rev. Lett. 111, 157204 (2013), 10.1103/PhysRevLett.111.157204]. The same mechanisms are probably active for the site dependence of the magnetic anisotropy energy obtained for Fe adatoms on Pd or Rh(111) surfaces and for Co adatoms on a Rh(111) surface [P. Blonski et al., Phys. Rev. B 81, 104426 (2010), 10.1103/PhysRevB.81.104426].
Hydrogen storage properties of light metal adatoms (Li, Na) decorated fluorographene monolayer.
Hussain, T; Islam, M S; Rao, G S; Panigrahi, P; Gupta, D; Ahuja, Rajeev
2015-07-10
Owing to its high energy density, the potential of hydrogen (H2) as an energy carrier has been immense, however its storage remains a big obstacle and calls for an efficient storage medium. By means of density functional theory (DFT) in spin polarized generalized gradient approximation (GGA), we have investigated the structural, electronic and hydrogen storage properties of a light alkali metal (Li, Na) functionalized fluorographene monolayer (FG). Metal adatoms bind to the FG with significantly high binding energy, much higher than their cohesive energies, which helps to achieve a uniform distribution of metal adatoms on the monolayer and consequently ensure reversibility. Due to a difference of electronegativities, each metal adatom transfers a substantial amount of its charge to the FG monolayer and attains a partial positive state, which facilitates the adsorption of multiple H2 molecules around the adatoms by electrostatic as well as van der Waals interactions. To get a better description of H2 adsorption energies with metal-doped systems, we have also performed calculations using van der Waals corrections. For both the functionalized systems, the results indicate a reasonably high H2 storage capacity with H2 adsorption energies falling into the range for the practical applications.
Electron-hole diffusion lengths >175 μm in solution-grown CH_{3}NH_{3}PbI_{3} single crystals
Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong
2015-02-27
Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH_{3}NH_{3}PbI_{3} are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH_{3}NH_{3}PbI_{3} single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm^{–2}) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals than in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH_{3}NH_{3}PbI_{3} in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.
Observing single-atom diffusion at a molecule-metal interface
NASA Astrophysics Data System (ADS)
Mielke, Johannes; Martínez-Blanco, Jesús; Peters, Maike V.; Hecht, Stefan; Grill, Leonhard
2016-07-01
The dynamics at the interface between a close-packed porphyrin monolayer and Au(111) is investigated by time-dependent scanning tunneling microscopy, detecting the motion of single-interface adatoms in real space. Imaging sequences reveal predominant switching of the molecular appearance in adjacent molecules, pointing to a spatial correlation that is consistent with adatom diffusion from one molecule to the next. In some cases, the number of switching molecules is drastically increased, indicating collective switching events. In addition to the thermally induced motion of adatoms at the interface, also voltage pulses from the microscope tip can induce the process—revealing different yields in agreement with the model of adatom hopping.
Theoretical probing of inelastic spin-excitations in adatoms on surfaces
NASA Astrophysics Data System (ADS)
Lounis, Samir; Schweflinghaus, Benedikt; Dias, Manuel dos Santos; Bouhassoune, Mohammed; Muniz, Roberto B.; Costa, Antonio T.
2014-12-01
We review our recent work on the simulation, description and prediction of spin-excitations in adatoms and dimers deposited on metallic surfaces. This work done together with Douglas L. Mills, is an extension of his seminal contribution (with Pascal Lederer) published 50 years ago on the spin-dynamics of transition metal impurities embedded in transition metal hosts [Lederer et al. (1967)]. The main predictions of his model were verified experimentally with state of the art inelastic scanning tunneling spectroscopy on adatoms. Our formalism, presented in this review, is based on time-dependent density functional theory, combined with the Korringa-Kohn-Rostoker Green function method. Comparison to experiments is shown and discussed in detail. Our scheme enables the description and prediction of the main characteristics of these excitations, i.e. their resonance frequency, their lifetime and their behavior upon application of external perturbations such as a magnetic field.
Adatom Fe(III) on the hematite surface: Observation of a key reactive surface species
Eggleston, Carrick M; Stack, Andrew G; Rosso, Kevin M; Bice, Angela M
2004-01-01
The reactivity of a mineral surface is determined by the variety and population of different types of surface sites (e.g., step, kink, adatom, and defect sites). The concept of "adsorbed nutrient" has been built into crystal growth theories, and many other studies of mineral surface reactivity appeal to ill-defined "active sites." Despite their theoretical importance, there has been little direct experimental or analytical investigation of the structure and properties of such species. Here, we use ex-situ and in-situ scanning tunneling microcopy (STM) combined with calculated images based on a resonant tunneling model to show that observed nonperiodic protrusions and depressions on the hematite (001) surface can be explained as Fe in an adsorbed or adatom state occupying sites different from those that result from simple termination of the bulk mineral. The number of such sites varies with sample preparation history, consistent with their removal from the surface in low pH solutions.
Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
NASA Astrophysics Data System (ADS)
Kozub, Agnieszka L.; Shick, Alexander B.; Máca, František; Kolorenč, Jindřich; Lichtenstein, Alexander I.
2016-09-01
The electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U , DFT+HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic f6 (J =0 ) ground-state configuration of Sm in the gas phase. Application of DFT +Hubbard-I (HIA) and DFT +exact diagonalization (ED) methods cures this problem, and yields a nonmagnetic ground state with six f electrons and J =0 for the Sm adatom. Our calculations show that Nd adatom remains magnetic, with four localized f electrons and J =4.0 . These conclusions could be verified by STM and XAS experiments.
Adatom complexes and self-healing mechanisms on graphene and single-wall carbon nanotubes
Tsetseris, Leonidas; Pantelides, Sokrates T
2009-01-01
Point defects play a role in the functionalization, chemical activation, carrier transport, and nano-engineering of graphitic systems. Here, we use first-principles calculations to describe several processes that alter the properties of graphene and single-wall carbon nanotubes (SWCNTs) in the presence of self-interstitials (SI's). We find that, while two or four SI's are stabilized in hillock-like structures that stay idle unless the system is heated to very high temperatures, clustering of three C adatoms leads to the formation of mobile protrusions on graphene and large enough SWCNTs. For different SI concentrations and SWCNT size, the interplay between mobile and immobile species may favor one of the two competing processes, self-healing or formation of adatom superstructures.
NASA Astrophysics Data System (ADS)
Dimakis, Nicholas; Navarro, Nestor E.; Velazquez, Julian; Salgado, Andres
2015-04-01
Periodic density functional calculations on graphene monolayers with and without an iron adatom have been used to elucidate iron-graphene adsorption and its effects on graphene electronic and vibrational properties. Density-of-states calculations and charge density contour plots reveal charge transfer from the iron s orbitals to the d orbitals, in agreement with past reports. Adsorbed iron atoms covalently bind to the graphene substrate, verified by the strong hybridization of iron d-states with the graphene bands in the energy region just below the Fermi level. This adsorption is weak and compared to the well-analyzed CO adsorption on Pt: It is indicated by its small adsorption energy and the minimal change of the substrate geometry due to the presence of the iron adatoms. Graphene vibrational spectra are analyzed though a systematic variation of the graphene supercell size. The shifts of graphene most prominent infrared active vibrational modes due to iron adsorption are explored using normal mode eigenvectors.
NASA Astrophysics Data System (ADS)
Kaur, Gagandeep; Gupta, Shuchi; Rani, Pooja; Dharamvir, Keya
2015-11-01
Extensive ab initio calculations have been performed to study the energetics of a sodium (Na) atom and its dimer adsorbed on graphene using the SIESTA package Soler et al. (2002) [1] which works within a DFT(density functional theory)-GGA (generalized gradient approximation) pseudopotential framework. The adsorption energy, geometry, charge transfer, ionization potential and density of states (DOS), partial density states (PDOS) of adatom/dimer-graphene system have been calculated. After considering various sites for adsorption of Na on graphene, the center of a hexagonal ring of carbon atoms is found to be the preferred site of adsorption while the Na2 dimer prefers to rest parallel to the graphene sheet. We find insignificant energy differences among adsorption configurations involving different possible sites in parallel orientation, which implies high mobility of the dimer on the graphene sheet. We also notice only a slight distortion of the graphene sheet perpendicular to its plane upon adatom adsorption. However, some lateral displacements seen are more perceptible. Summary The adsorption energy, geometry, charge transfer, ionization potential and density of states (DOS) and PDOS of adatom/dimer-graphene system have been calculated using SIESTA package Soler et al. (2002) [1] which works within a DFT(density functional theory)-GGA (generalized gradient approximation) pseudopotential framework. Preferred site for adsorption of a sodium atom on graphene is the hollow site. For the Na dimer adsorption, we found that horizontal orientation is favored over the vertical one. From DOS plots, it is clear that graphene's states are nearly unaffected by the adsorption of Na adatom and Interaction between sodium and graphene is predominantly ionic
Electron confinement induced by diluted hydrogen-like ad-atoms in graphene ribbons.
González, J W; Rosales, L; Pacheco, M; Ayuela, A
2015-10-14
We report the electronic properties of two-dimensional systems made of graphene nanoribbons, which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of impurities, we find resonant levels, quasi-bound and impurity-induced localized states, which determine the transport properties of the system. Regardless of the ad-atom distribution in the system, we apply band-folding procedures to simple models and predict the energies and the spatial distribution of those impurity-induced states. We take into account two different scenarios: gapped graphene and the presence of randomly distributed ad-atoms in a low dilution regime. In both cases the defect-induced resonances are still detected. Our findings would encourage experimentalists to synthesize these systems and characterize their quasi-localized states by employing, for instance, scanning tunneling spectroscopy (STS). Additionally, the resonant transport features could be used in electronic applications and molecular sensing devices.
Macroscopic fluctuation theory and first-passage properties of surface diffusion
NASA Astrophysics Data System (ADS)
Meerson, Baruch; Vilenkin, Arkady
2016-02-01
We investigate nonequilibrium fluctuations of a solid surface governed by the stochastic Mullins-Herring equation with conserved noise. This equation describes surface diffusion of adatoms accompanied by their exchange between the surface and the bulk of the solid, when desorption of adatoms is negligible. Previous works dealt with dynamic scaling behavior of the fluctuating interface. Here we determine the probability that the interface first reaches a large given height at a specified time. We also find the optimal time history of the interface conditional on this nonequilibrium fluctuation. We obtain these results by developing a macroscopic fluctuation theory of surface diffusion.
Characteristics of Li diffusion on silicene and zigzag nanoribbon
NASA Astrophysics Data System (ADS)
Yan-Hua, Guo; Jue-Xian, Cao; Bo, Xu
2016-01-01
We perform a density functional study on the adsorption and diffusion of Li atoms on silicene sheet and zigzag nanoribbons. Our results show that the diffusion energy barrier of Li adatoms on silicene sheet is 0.25 eV, which is much lower than on graphene and Si bulk. The diffusion barriers along the axis of zigzag silicene nanoribbon range from 0.1 to 0.25 eV due to an edge effect, while the diffusion energy barrier is about 0.5 eV for a Li adatom to enter into a silicene nanoribbon. Our calculations indicate that using silicene nanoribbons as anodes is favorable for a Li-ion battery. Project supported by the National Natural Science Foundation of China (Grant Nos. 11074212 and 11204123) and the Natural Science Foundation of Jiangsu province, China (Grant No. BK20130945).
Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons
NASA Astrophysics Data System (ADS)
Cheng, Cheng; Han, Han; Ren, Cui-Lan; Wang, Chang-Ying; Shao, Kuan; Huai, Ping
2016-08-01
The first principles density-functional theoretical calculations of U adatom adsorption and diffusion on a planar graphene and quasi-one-dimensional graphene nanoribbons (GNRs) are performed. An energetic preference is found for U adatom diffusing to the hollow sites of both graphene and GNRs surface. A number of U distinctive diffusion paths either perpendicular or parallel to the ribbon growth direction are examined. The edge effects are evidenced by the calculated energy barriers of U adatom diffusion on armchair and zigzag nanoribbons surfaces. The calculation results indicate that the diffusion of U adatom from the inner site toward the edge site is a feasible process, particularly in zigzag GNR. It is viable to control the initial morphology of nuclear carbon material to retard the diffusion and concentration of nuclides. Project supported by the International S & T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant Nos. 91326105, 21306220, and 21501189), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).
Edge effects on the characteristics of uranium diffusion on graphene and graphene nanoribbons
NASA Astrophysics Data System (ADS)
Cheng, Cheng; Han, Han; Ren, Cui-Lan; Wang, Chang-Ying; Shao, Kuan; Huai, Ping
2016-08-01
The first principles density-functional theoretical calculations of U adatom adsorption and diffusion on a planar graphene and quasi-one-dimensional graphene nanoribbons (GNRs) are performed. An energetic preference is found for U adatom diffusing to the hollow sites of both graphene and GNRs surface. A number of U distinctive diffusion paths either perpendicular or parallel to the ribbon growth direction are examined. The edge effects are evidenced by the calculated energy barriers of U adatom diffusion on armchair and zigzag nanoribbons surfaces. The calculation results indicate that the diffusion of U adatom from the inner site toward the edge site is a feasible process, particularly in zigzag GNR. It is viable to control the initial morphology of nuclear carbon material to retard the diffusion and concentration of nuclides. Project supported by the International S & T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant Nos. 91326105, 21306220, and 21501189), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).
NASA Astrophysics Data System (ADS)
Fair, K. M.; Cui, X. Y.; Li, L.; Shieh, C. C.; Zheng, R. K.; Liu, Z. W.; Delley, B.; Ford, M. J.; Ringer, S. P.; Stampfl, C.
2013-01-01
Structural stability and hydrogen adsorption capacity are two key quantities in evaluating the potential of metal-adatom decorated graphene for hydrogen storage and related devices. We have carried out extensive density functional theory calculations for the adsorption of hydrogen molecules on 12 different adatom (Ag, Au, Ca, Li, Mg, Pd, Pt, Sc, Sr, Ti, Y, and Zr) decorated graphene surfaces where the adatoms are found to be stabilized on double carbon vacancies, thus overcoming the “clustering problem” that occurs for adatoms on pristine graphene. Ca and Sr are predicted to bind the greatest number, namely six, of H2 molecules. We find an interesting correlation between the hydrogen capacity and the change of charge distribution with increasing H2 adsorption, where Ca, Li, Mg, Sc, Ti, Y, Sr, and Zr adatoms are partial electron donors and Ag, Au, Pd, and Pt are partial electron acceptors. The “18-electron rule” for predicting maximum hydrogen capacity is found not to be a reliable indicator for these systems.
Kinetics of mesa overlayer growth: Climbing of adatoms onto the mesa top
Han, Yong; Liu, Feng; Li, Shao-Chun; Jia, Jin-Feng; Xue, Qi-Kun; Lee, Byeong-Joo
2008-01-17
We have calculated the energy barriers for an adatom climbing up onto a Pb mesa top either over a facet-facet edge or through a facet-step joint, using a modified embedded atom method. We found that the second process is not only thermodynamically more favorable than the first one but also much faster with a diminishing barrier. Our results provide a plausible explanation for the experimentally observed intriguing growth behavior of a Pb mesa. The underlying mechanisms can be generally applicable to other systems.
Density functional theory study of Fe, Co, and Ni adatoms and dimers adsorbed on graphene
NASA Astrophysics Data System (ADS)
Johll, Harman; Kang, Hway Chuan; Tok, Eng Soon
2009-06-01
Metal clusters have been investigated rather intensely for both fundamental and technological reasons. In this work we report the results of plane-wave density functional theory calculations of Fe, Co, and Ni adatoms and dimers adsorbed on graphene. We study both homonuclear and heteronuclear dimers, and the latter includes mixed dimers of Fe, Co, and Ni along with dimers of these elements with Pt. Our work is motivated by the fundamental interest in their configurational and magnetic properties. We calculated the adsorption site, the structure and relative stabilities of various adsorption configurations, the band structures, the atomic projected electronic density of states, and the magnetic moments of the adatoms and dimers. Contrary to previous work, our results show that adatoms bind weakly to graphene with binding energies ranging from 0.2 to 1.4 eV depending on the adsorption site and species. For both homonuclear and heteronuclear dimers the binding energies per atom are lower than the respective adatom cases, ranging from 0.1 to 0.5 eV per metal atom. The most strongly bound configurations for all the dimers studied are those with the dimer axis (nearly) perpendicular to the graphene plane and bound at the hole site. These configurations, which, to our knowledge, have not been considered in previous work, also turn out to have the largest enhancement of the magnetic moment at least for the atom farther from the graphene. The binding energies of these most strongly bound dimers are dependent on three factors, namely, the interconfigurational energy change in the dimer atom farther from graphene upon desorption, the charge transfer from the dimer to the graphene, and the adsorption site favored by the atom closer to the graphene sheet. The first factor is dominant for all the dimers studied here except for CoPt and NiPt. The relatively high electronegativity of Pt affects the character of the charge transfer from the dimer to graphene. In most of the dimers
Oxidation mechanism of formic acid on the bismuth adatom-modified Pt(111) surface.
Perales-Rondón, Juan Victor; Ferre-Vilaplana, Adolfo; Feliu, Juan M; Herrero, Enrique
2014-09-24
In order to improve catalytic processes, elucidation of reaction mechanisms is essential. Here, supported by a combination of experimental and computational results, the oxidation mechanism of formic acid on Pt(111) electrodes modified by the incorporation of bismuth adatoms is revealed. In the proposed model, formic acid is first physisorbed on bismuth and then deprotonated and chemisorbed in formate form, also on bismuth, from which configuration the C-H bond is cleaved, on a neighbor Pt site, yielding CO2. It was found computationally that the activation energy for the C-H bond cleavage step is negligible, which was also verified experimentally. PMID:25188779
Rubinson, Kenneth A; Faraone, Antonio
2016-05-14
X-ray and neutron scattering have been used to provide insight into the structures of ionic solutions for over a century, but the probes have covered distances shorter than 8 Å. For the non-hydrolyzing salt SrI2 in aqueous solution, a locally ordered lattice of ions exists that scatters slow neutrons coherently down to at least 0.1 mol L(-1) concentration, where the measured average distance between scatterers is over 18 Å. To investigate the motions of these scatterers, coherent quasielastic neutron scattering (CQENS) data on D2O solutions with SrI2 at 1, 0.8, 0.6, and 0.4 mol L(-1) concentrations was obtained to provide an experimental measure of the diffusive transport rate for the motion between pairs of ions relative to each other. Because CQENS measures the motion of one ion relative to another, the frame of reference is centered on an ion, which is unique among all diffusion measurement methods. We call the measured quantity the pairwise diffusive transport rate Dp. In addition to this ion centered frame of reference, the diffusive transport rate can be measured as a function of the momentum transfer q, where q = (4π/λ)sin θ with a scattering angle of 2θ. Since q is related to the interion distance (d = 2π/q), for the experimental range 0.2 Å(-1)≤q≤ 1.0 Å(-1), Dp is, then, measured over interion distances from 40 Å to ≈6 Å. We find the measured diffusional transport rates increase with increasing distance between scatterers over the entire range covered and interpret this behavior to be caused by dynamic coupling among the ions. Within the model of Fickian diffusion, at the longer interionic distances Dp is greater than the Nernst-Hartley value for an infinitely dilute solution. For these nm-distance diffusional transport rates to conform with the lower, macroscopically measured diffusion coefficients, we propose that local, coordinated counter motion of at least pairs of ions is part of the transport process. PMID:27096293
Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.
2016-04-08
Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less
Zhang, G. P.; Liu, Xiaojie; Wang, C. Z.; Yao, Y. X.; Zhang, Jian; Ho, K. M.
2013-02-12
Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order, as well as electronic transport properties, of zigzag graphene nanoribbon (ZGNR) with Co adatoms on hollow sites are investigated by quasi-atomic minimal basis orbits (QUAMBOs), a first-principles tight binding (TB) scheme based on density functional theory (DFT), combined with a non-equilibrium Green's function. For electronic transport, below the Fermi level the transmission is strongly suppressed and spin dependent as a result of magnetism by Co adatom adsorption, while above the Fermi level the transmission is slightly distorted and spin independent. Due to the local environment dependence of QUAMBOs–TB parameters, we construct QUAMBOs–TB parameters of ZGNR leads and ZGNR with Co adatoms on hollow center sites by a divide-and-conquer approach, and accurately reproduce the electronic transmission behavior. Our QUAMBO–NEGF method is a new and promising way of examining electronic transport in large-scale systems.
Selva Chandrasekaran, S.; Murugan, P.; Saravanan, P.; Kamat, S. V.
2015-04-07
First principles calculations are performed on 3d-transition metal atom deposited (0001) surface of SmCo{sub 5} to understand the magnetic properties and the improvement of Curie temperature (T{sub c}). Various atomic sites are examined to identify the energetically feasible adsorption of adatom and it is found that the void site of Co-rich (0001) SmCo{sub 5} surface is the most favourable one to deposit. The surface magnetic moments of various adatom deposited SmCo{sub 5} surfaces are larger than the clean surface except for Cu and Zn. Eventually, the surface exchange coupling of clean and adatom deposited surface is found to increase for Mn, Fe, Co, Ni, and Cu deposited surfaces and this improvement results in the increase in T{sub c} of SmCo{sub 5} slab.
Symmetry-protected coherent transport for diluted vacancies and adatoms in graphene
NASA Astrophysics Data System (ADS)
Ruiz-Tijerina, David A.; da Silva, Luis G. G. V. Dias
2016-08-01
We study the effects of a low concentration of adatoms or single vacancies in the linear-response transport properties of otherwise clean graphene. These impurities were treated as localized orbitals, and for each type two cases with distinct coupling symmetries were studied. For adatoms, we considered top- and hollow-site adsorbates (TOP and HS). For vacancies, we studied impurity formation by soft bond reconstruction (REC), as well as the more symmetric case of charge accumulation in unreconstructed vacancies (VAC). Our results indicate that the transport is determined by usual impurity scattering when the graphene-impurity coupling does not possess C3 v symmetry (TOP and REC). In contrast, VAC impurities decouple from the electronic states at the Dirac points, and yield no contribution to the resistivity for a sample in charge neutrality. Furthermore, the inversion-symmetry-conserving HS impurities also decouple from entire sets of momenta throughout the Brillouin zone, and do not contribute to the resistivity within a broad range of parameters. These behaviors are protected by C3 v and inversion symmetry, respectively, and persist for more general impurity models.
Coffey, David; Diez-Ferrer, José Luis; Serrate, David; Ciria, Miguel; de la Fuente, César; Arnaudas, José Ignacio
2015-01-01
High-density magnetic storage or quantum computing could be achieved using small magnets with large magnetic anisotropy, a requirement that rare-earth iron alloys fulfill in bulk. This compelling property demands a thorough investigation of the magnetism in low dimensional rare-earth iron structures. Here, we report on the magnetic coupling between 4f single atoms and a 3d magnetic nanoisland. Thulium and lutetium adatoms deposited on iron monolayer islands pseudomorphically grown on W(110) have been investigated at low temperature with scanning tunneling microscopy and spectroscopy. The spin-polarized current indicates that both kind of adatoms have in-plane magnetic moments, which couple antiferromagnetically with their underlying iron islands. Our first-principles calculations explain the observed behavior, predicting an antiparallel coupling of the induced 5d electrons magnetic moment of the lanthanides with the 3d magnetic moment of iron, as well as their in-plane orientation, and pointing to a non-contribution of 4f electrons to the spin-polarized tunneling processes in rare earths. PMID:26333417
Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice
NASA Astrophysics Data System (ADS)
Einstein, Theodore; Patrone, Paul
2012-02-01
Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.
Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice
NASA Astrophysics Data System (ADS)
Patrone, Paul N.; Einstein, T. L.
2012-01-01
Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.
Coffey, David; Diez-Ferrer, José Luis; Serrate, David; Ciria, Miguel; de la Fuente, César; Arnaudas, José Ignacio
2015-09-03
High-density magnetic storage or quantum computing could be achieved using small magnets with large magnetic anisotropy, a requirement that rare-earth iron alloys fulfill in bulk. This compelling property demands a thorough investigation of the magnetism in low dimensional rare-earth iron structures. Here, we report on the magnetic coupling between 4f single atoms and a 3d magnetic nanoisland. Thulium and lutetium adatoms deposited on iron monolayer islands pseudomorphically grown on W(110) have been investigated at low temperature with scanning tunneling microscopy and spectroscopy. The spin-polarized current indicates that both kind of adatoms have in-plane magnetic moments, which couple antiferromagnetically with their underlying iron islands. Our first-principles calculations explain the observed behavior, predicting an antiparallel coupling of the induced 5d electrons magnetic moment of the lanthanides with the 3d magnetic moment of iron, as well as their in-plane orientation, and pointing to a non-contribution of 4f electrons to the spin-polarized tunneling processes in rare earths.
Defects in Silicene: Vacancy Clusters, Extended Line Defects, and Di-adatoms
Li, Shuang; Wu, Yifeng; Tu, Yi; Wang, Yonghui; Jiang, Tong; Liu, Wei; Zhao, Yonghao
2015-01-01
Defects are almost inevitable during the fabrication process, and their existence strongly affects thermodynamic and (opto)electronic properties of two-dimensional materials. Very recent experiments have provided clear evidence for the presence of larger multi-vacancies in silicene, but their structure, stability, and formation mechanism remain largely unexplored. Here, we present a detailed theoretical study of silicene monolayer containing three types of defects: vacancy clusters, extended line defects (ELDs), and di-adatoms. First-principles calculations, along with ab initio molecular dynamics simulations, revealed the coalescence tendency of small defects and formation of highly stable vacancy clusters. The 5|8|5 ELD – the most favorable extended defect in both graphene and silicene sheets – is found to be easier to form in the latter case due to the mixed sp2/sp3 hybridization of silicon. In addition, hybrid functional calculations that contain part of the Hatree-Fock exchange energy demonstrated that the introduction of single and double silicon adatoms significantly enhances the stability of the system, and provides an effective approach on tuning the magnetic moment and band gap of silicene. PMID:25619941
Coffey, David; Diez-Ferrer, José Luis; Serrate, David; Ciria, Miguel; Fuente, César de la; Arnaudas, José Ignacio
2015-01-01
High-density magnetic storage or quantum computing could be achieved using small magnets with large magnetic anisotropy, a requirement that rare-earth iron alloys fulfill in bulk. This compelling property demands a thorough investigation of the magnetism in low dimensional rare-earth iron structures. Here, we report on the magnetic coupling between 4f single atoms and a 3d magnetic nanoisland. Thulium and lutetium adatoms deposited on iron monolayer islands pseudomorphically grown on W(110) have been investigated at low temperature with scanning tunneling microscopy and spectroscopy. The spin-polarized current indicates that both kind of adatoms have in-plane magnetic moments, which couple antiferromagnetically with their underlying iron islands. Our first-principles calculations explain the observed behavior, predicting an antiparallel coupling of the induced 5d electrons magnetic moment of the lanthanides with the 3d magnetic moment of iron, as well as their in-plane orientation, and pointing to a non-contribution of 4f electrons to the spin-polarized tunneling processes in rare earths. PMID:26333417
Defects in silicene: vacancy clusters, extended line defects, and Di-adatoms.
Li, Shuang; Wu, Yifeng; Tu, Yi; Wang, Yonghui; Jiang, Tong; Liu, Wei; Zhao, Yonghao
2015-01-26
Defects are almost inevitable during the fabrication process, and their existence strongly affects thermodynamic and (opto)electronic properties of two-dimensional materials. Very recent experiments have provided clear evidence for the presence of larger multi-vacancies in silicene, but their structure, stability, and formation mechanism remain largely unexplored. Here, we present a detailed theoretical study of silicene monolayer containing three types of defects: vacancy clusters, extended line defects (ELDs), and di-adatoms. First-principles calculations, along with ab initio molecular dynamics simulations, revealed the coalescence tendency of small defects and formation of highly stable vacancy clusters. The 5|8|5 ELD - the most favorable extended defect in both graphene and silicene sheets - is found to be easier to form in the latter case due to the mixed sp(2)/sp(3) hybridization of silicon. In addition, hybrid functional calculations that contain part of the Hatree-Fock exchange energy demonstrated that the introduction of single and double silicon adatoms significantly enhances the stability of the system, and provides an effective approach on tuning the magnetic moment and band gap of silicene.
New adatom model for Si(11) 7X7 and Si(111)Ge 5X5 reconstructed surfaces
NASA Technical Reports Server (NTRS)
Chadi, D. J.
1985-01-01
A new adatom model differing from the conventional model by a reconstruction of the substrate is proposed. The new adatom structure provides an explanation for the 7x7 and 5x5 size of the unit cells seen on annealed Si(111) and Si(111)-Ge surfaces, respectively. The model is consistent with structural information from vacuum-tunneling microscopy. It also provides simple explanations for stacking-fault-type features expected from Rutherford backscattering experiments and for similarities in the LEED and photoemission spectra of 2x1 and 7x7 surfaces.
2014-01-01
Nickel vapor-deposited on the SrTiO3(110) surface was studied using scanning tunneling microscopy, photoemission spectroscopy (PES), and density functional theory calculations. This surface forms a (4 × 1) reconstruction, composed of a 2-D titania structure with periodic six- and ten-membered nanopores. Anchored at these nanopores, Ni single adatoms are stabilized at room temperature. PES measurements show that the Ni adatoms create an in-gap state located at 1.9 eV below the conduction band minimum and induce an upward band bending. Both experimental and theoretical results suggest that Ni adatoms are positively charged. Our study produces well-dispersed single-adatom arrays on a well-characterized oxide support, providing a model system to investigate single-adatom catalytic and magnetic properties. PMID:25177410
Surface diffusion activation energy determination using ion beam microtexturing
NASA Technical Reports Server (NTRS)
Rossnagel, S. M.; Robinson, R. S.
1982-01-01
The activation energy for impurity atom (adatom) surface diffusion can be determined from the temperature dependence of the spacing of sputter cones. These cones are formed on the surface during sputtering while simultaneously adding impurities. The impurities form clusters by means of surface diffusion, and these clusters in turn initiate cone formation. Values are given for the surface diffusion activation energies for various materials on polycrystalline Cu, Al, Pb, Au, and Ni. The values for different impurity species on each of these substrates are approximately independent of impurity species within the experimental uncertainty, suggesting the absence of strong chemical bonding effects on the diffusion.
NASA Technical Reports Server (NTRS)
Von Roos, O.; Luke, K. L.
1984-01-01
The short circuit current generated by the electron beam of a scanning electron microscope in p-n junctions is reduced by enhanced recombination at grain boundaries in polycrystalline material. Frequently, grain boundaries separate the semiconductor into regions possessing different minority carrier life times. This markedly affects the short circuit current I(sc) as a function of scanning distance from the grain boundary. It will be shown theoretically that (1) the minimum of the I(sc) in crossing the grain boundary with the scanning electron beam is shifted away from the grain boundary toward the region with smaller life time (shorter diffusion length), (2) the magnitude of the minimum differs markedly from those calculated under the assumption of equal diffusion lengths on either side of the grain boundary, and (3) the minimum disappears altogether for small surface recombination velocities (s less than 10,000 cm/s). These effects become negligible, however, for large recombination velocities s at grain boundaries. For p-type silicon this happens for s not less than 100,000 cm/s.
Ordering of Self-Diffusion Barrier Energies on Pt(110)-1x2
Feibelman, Peter J.
1999-06-01
Bond-counting arguments, supported by ab-initio calculations, predict a lower barrier for "leapfrog" diffusion of Pt addimers on Pt(llO)-lx2 than for adatom dif- fusion or addimer dissociation. This conflicts with experiment, possibly signaling contaminant influence.
NASA Astrophysics Data System (ADS)
Wetzel, H.; Gerischer, H.; Pettinger, B.
1981-05-01
Surface-enhanced Raman scattering (SERS) has been studied for silver-cyanide and 3-thiocyanate vibrations at 221 and 2111 cm -1 and at 218 and 2132 cm -1, respectively. We report evidence that besides large-scale surface roughness the presence of adatoms is mandatory in order to obtain SERS.
Two Pathways for Water Interaction with Oxygen Adatoms on TiO2(110)
Du, Yingge; Deskins, N. Aaron; Zhang, Zhenrong; Dohnalek, Zdenek; Dupuis, Michel; Lyubinetsky, Igor
2009-03-06
Scanning tunneling microscopy and density functional theory studies show that oxygen adatoms (Oa), produced during O2 exposure of reduced TiO2(110) surfaces, alter the water dissociation/recombination chemistry through two distinctive pathways. Depending on whether H2O and Oa are on the same or adjacent Ti4+ rows, Oa facilitates H2O dissociation and proton transfer to form a terminal hydroxyl pair, positioned along- or across-Ti row, respectively. The latter process has not been reported previously, and it starts from “pseudo-dissociated” state of water. In both pathways, the subsequent reverse proton transfer results in H2O recombination and statistical oxygen atom scrambling, as manifested by an apparent along- or across-row motion of Oa’s.
Sun, Liyuan; Morales-Collazo, Oscar; Xia, Han; Brennecke, Joan F
2016-06-30
A series of room-temperature ionic liquids (ILs) composed of triethyl(alkyl)phosphonium cations paired with three different aprotic heterocyclic anions (AHAs) (alkyl = butyl ([P2224](+)) and octyl ([P2228](+))) were prepared to investigate the effect of cationic alkyl chain length on transport properties. The transport properties and density of these ILs were measured from 283.15 to 343.15 K at ambient pressure. The dependence of the transport properties (viscosity, ionic conductivity, diffusivity, and molar conductivity) on temperature can be described by the Vogel-Fulcher-Tamman (VFT) equation. The ratio of the molar conductivity obtained from the molar concentration and ionic conductivity measurements to that calculated from self-diffusion coefficients (measured by pulsed gradient spin-echo nuclear magnetic resonance spectroscopy) using the Nernst-Einstein equation was used to quantify the ionicity of these ILs. The molar conductivity ratio decreases with increasing number of carbon atoms in the alkyl chain, indicating that the reduced Coulombic interactions resulting from lower density are more than balanced by the increased van der Waals interactions between the alkyl chains. The results of this study may provide insight into the design of ILs with enhanced dynamics that may be suitable as electrolytes in lithium ion batteries and other electrochemical applications.
NASA Astrophysics Data System (ADS)
Chan, Kevin T.; Lee, Hoonkyung; Cohen, Marvin L.
2011-10-01
Graphene provides many advantages for controlling the electronic structure of adatoms and other adsorbates via gating. Using the projected density of states and charge density obtained from first-principles density-functional periodic supercell calculations, we investigate the possibility of performing “alchemy” of adatoms on graphene, i.e., transforming the electronic structure of one species of adatom into that of another species by application of a gate voltage. Gating is modeled as a change in the number of electrons in the unit cell, with the inclusion of a compensating uniform background charge. Within this model and the generalized gradient approximation to the exchange-correlation functional, we find that such transformations are possible for K, Ca, and several transition-metal adatoms. Gate control of the occupation of the p states of In on graphene is also investigated. The validity of the supercell approximation with uniform compensating charge and the model for exchange and correlation is also discussed.
Hammond, Karl D.; Wirth, Brian D.
2014-10-14
We present atomistic simulations that show the effect of surface orientation on helium depth distributions and surface feature formation as a result of low-energy helium plasma exposure. We find a pronounced effect of surface orientation on the initial depth of implanted helium ions, as well as a difference in reflection and helium retention across different surface orientations. Our results indicate that single helium interstitials are sufficient to induce the formation of adatom/substitutional helium pairs under certain highly corrugated tungsten surfaces, such as (1 1 1)-orientations, leading to the formation of a relatively concentrated layer of immobile helium immediately below the surface. The energies involved for helium-induced adatom formation on (1 1 1) and (2 1 1) surfaces are exoergic for even a single adatom very close to the surface, while (0 0 1) and (0 1 1) surfaces require two or even three helium atoms in a cluster before a substitutional helium cluster and adatom will form with reasonable probability. This phenomenon results in much higher initial helium retention during helium plasma exposure to (1 1 1) and (2 1 1) tungsten surfaces than is observed for (0 0 1) or (0 1 1) surfaces and is much higher than can be attributed to differences in the initial depth distributions alone. The layer thus formed may serve as nucleation sites for further bubble formation and growth or as a source of material embrittlement or fatigue, which may have implications for the formation of tungsten “fuzz” in plasma-facing divertors for magnetic-confinement nuclear fusion reactors and/or the lifetime of such divertors.
NASA Astrophysics Data System (ADS)
Schweflinghaus, Benedikt; dos Santos Dias, Manuel; Lounis, Samir
2016-01-01
Spin excitations in atomic-scale nanostructures have been investigated with inelastic scanning tunneling spectroscopy, sometimes with conflicting results. In this work, we present a theoretical viewpoint on a recent experimental controversy regarding the spin excitations of Co adatoms on Pt(111). While one group [Balashov et al., Phys. Rev. Lett. 102, 257203 (2009), 10.1103/PhysRevLett.102.257203] claims to have detected them, another group reported their observation only after the hydrogenation of the Co adatom [Dubout et al., Phys. Rev. Lett. 114, 106807 (2015), 10.1103/PhysRevLett.114.106807]. Utilizing time-dependent density functional theory in combination with many-body perturbation theory, we demonstrate that, although inelastic spin excitations are possible for Cr, Mn, Fe, and Co adatoms, their efficiency differs. While the excitation signature is less pronounced for Mn and Co adatoms, it is larger for Cr and Fe adatoms. We find that the tunneling matrix elements or the tunneling cross-section related to the nature and symmetry of the relevant electronic states are more favorable for triggering the spin excitations in Fe than in Co. An enhancement of the tunneling and of the inelastic spectra is possible by attaching hydrogen to the adatom at the appropriate position.
Noble-metal intercalation process leading to a protected adatom in a graphene hollow site
NASA Astrophysics Data System (ADS)
Narayanan Nair, M.; Cranney, M.; Jiang, T.; Hajjar-Garreau, S.; Aubel, D.; Vonau, F.; Florentin, A.; Denys, E.; Bocquet, M.-L.; Simon, L.
2016-08-01
In previous studies, we have shown that gold deposited on a monolayer (ML) of graphene on SiC(0001) is intercalated below the ML after an annealing procedure and affects the band structure of graphene. Here we prove experimentally and theoretically that some of the gold forms a dispersed phase composed of single adatoms, being intercalated between the ML and the buffer layer and in a hollow position with respect to C atoms of the ML on top. They are freestanding and negatively charged, due to the partial screening of the electron transfer between SiC and the ML, without changing the intrinsic n-type doping of the ML. As these single atoms decouple the ML from the buffer layer, the quasiparticles of graphene are less perturbed, thus increasing their Fermi velocity. Moreover, the hollow position of the intercalated single Au atoms might lead to spin-orbit coupling in the graphene layer covering IC domains. This effect of spin-orbit coupling has been recently observed experimentally in Au-intercalated graphene on SiC(0001) [D. Marchenko, A. Varykhalov, J. Sánchez-Barriga, Th. Seyller, and O. Rader, Appl. Phys. Lett. 108, 172405 (2016), 10.1063/1.4947286] and has been theoretically predicted for heavy atoms, like thallium, in a hollow position on graphene [C. Weeks, J. Hu, J. Alicea, M. Franz, and R. Wu, Phys. Rev. X 1, 021001 (2011), 10.1103/PhysRevX.1.021001; A. Cresti, D. V. Tuan, D. Soriano, A. W. Cummings, and S. Roche, Phys. Rev. Lett. 113, 246603 (2014), 10.1103/PhysRevLett.113.246603].
Self-Diffusion Along Step-Bottoms on Pt(111)
Feibelman, P.J.
1999-04-05
First-principles total energies of periodic vicinals are used to estimate barriers for Pt-adatom diffusion along straight and kinked steps on Pt(111), and around a corner where straight steps intersect. In all cases studied, hopping diffusion has a lower barrier than concerted substitution. In conflict with simulations of dendritic Pt island formation on Pt(111), hopping from a corner site to a step whose riser is a (111)-micro facet is predicted to be more facile than to one whose riser is a (100).
Rapid diffusion of magic-size islands by combined glide and vacancy mechanisms
Perez, D; Voter, A F; Uche, O U; Hamilton, J C
2009-01-01
Using molecular dynamics, nudged elastic band, and embedded atom methods, we show that certain 2D Ag islands undergo extremely rapid one-dimensional diffusion on Cu(001) surfaces. Indeed, below 300K, hopping rates for 'magic-size' islands are orders of magnitude faster than hopping rates for single Ag adatoms. This rapid diffusion requires both the c(10 x 2) hexagonally-packed superstructure typical of Ag on Cu(001) and appropriate 'magic-sizes' for the islands. The novel highly-cooperative diffusion mechanism presented here couples vacancy diffusion with simultaneous core glide.
NASA Astrophysics Data System (ADS)
Li, Jun; Liu, Bang-Gui
2015-06-01
It has been proposed that antiferromagnetic Fe adatom spins on semiconductor Cu-N surfaces can be used to store information (Loth et al 2012 Science 335 196). Here, we investigate spin dynamics of such antiferromagnetic systems through Monte Carlo simulations. We find out the temperature and size laws of switching rates of Néel states and show that the Néel states can become stable enough for the information storage when the number of spins reaches one or two dozens of the Fe spins. We also explore promising methods for manipulating the Néel states. These could help realize information storage with such antiferromagnetic spin systems.
Atomic diffusion on vicinal surfaces: step roughening impact on step permeability
NASA Astrophysics Data System (ADS)
Ranguelov, B.; Michailov, M.
2014-12-01
The problem of mass transport in material science for systems with reduced dimensionality holds special academic and technological attention since the fine diffusion control of adatoms could initiate exotic nanoscale patterning at epitaxial interfaces. The present study brings out important details of the atomic diffusion mechanisms on vicinal surfaces, accounting for the subtle competition between an external field imposed on the migrating adatoms and the roughening of the steps bordering the atomic terraces. The computational model reveals a temperature gap for breakdown of step permeability in the vicinity of the step roughening transition and sheds light on recently observed experimental results for atomic step dynamics on Si surfaces. The present study also demonstrates the extended capability of atomistic models in computer simulations to unravel simultaneous effects, to distinguish between them, and finally to assess their specific contribution to experimentally observed complex physical phenomena.
NASA Astrophysics Data System (ADS)
Schüler, M.; Pavlyukh, Y.; Berakdar, J.
2012-04-01
Inelastic scanning tunneling microscopy (STM) has recently been shown (Loth et al 2010 Science 329 1628) to be extendable to access the nanosecond, spin-resolved dynamics of magnetic adatoms and molecules. Here we analyze this novel tool theoretically by considering the time-resolved spin dynamics of a single adsorbed Fe atom excited by a tunneling current pulse from a spin-polarized STM tip. The adatom spin configuration can be controlled and probed by applying voltage pulses between the substrate and the spin-polarized STM tip. We demonstrate how, in a pump-probe manner, the relaxation dynamics of the sample spin is manifested in the spin-dependent tunneling current. Our model calculations are based on the scattering theory in a wave-packet formulation. The scheme is non-perturbative and, hence, is valid for all voltages. The numerical results for the tunneling probability and the conductance are contrasted with the predictions of simple analytical models and compared with experiments.
Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO2 surfaces
Weck, Philippe F.; Kim, Eunja; Biedermann, Grant W.
2015-04-21
In this study, the interaction of Cs adatoms with mono- or bi-layered graphene (MLG and BLG), either free-standing or on a SiO2 substrate, was investigated using density functional theory. The most stable adsorption sites for Cs are found to be hollow sites on both graphene sheets and graphene-veiled SiO2(0001). In addition, larger dipole moments are created when a MLG-veiled SiO2(0001) substrate is used for adsorption of Cs atoms compared to the adsorption on free-standing MLG, due to charge transfer occurring between the MLG and the SiO2 substrate. For the adsorption of Cs on BLG-veiled SiO2(0001) substrate, these differences are smoothedmore » out and the binding energies corresponding to different sites are nearly degenerate; smaller dipole moments created by the Cs adatoms on BLG compared to MLG are also predicted.« less
Interaction of cesium adatoms with free-standing graphene and graphene-veiled SiO_{2} surfaces
Weck, Philippe F.; Kim, Eunja; Biedermann, Grant W.
2015-04-21
In this study, the interaction of Cs adatoms with mono- or bi-layered graphene (MLG and BLG), either free-standing or on a SiO_{2} substrate, was investigated using density functional theory. The most stable adsorption sites for Cs are found to be hollow sites on both graphene sheets and graphene-veiled SiO_{2}(0001). In addition, larger dipole moments are created when a MLG-veiled SiO_{2}(0001) substrate is used for adsorption of Cs atoms compared to the adsorption on free-standing MLG, due to charge transfer occurring between the MLG and the SiO_{2} substrate. For the adsorption of Cs on BLG-veiled SiO_{2}(0001) substrate, these differences are smoothed out and the binding energies corresponding to different sites are nearly degenerate; smaller dipole moments created by the Cs adatoms on BLG compared to MLG are also predicted.
Dean M. P.; Howard, C.A.; Withers, F.
2011-12-19
Graphene phonons are measured as a function of electron doping via the addition of potassium adatoms. In the low doping regime, the in-plane carbon G peak hardens and narrows with increasing doping, analogous to the trend seen in graphene doped via the field effect. At high dopings, beyond those accessible by the field effect, the G peak strongly softens and broadens. This is interpreted as a dynamic, nonadiabatic renormalization of the phonon self-energy. At dopings between the light and heavily doped regimes, we find a robust inhomogeneous phase where the potassium coverage is segregated into regions of high and low density. The phonon energies, linewidths, and tunability are notably very similar for one- to four-layer potassium-doped graphene, but significantly different to bulk potassium-doped graphite.
Ouyang, Runhai; Yan, Jiawei; Jensen, Palle S; Ascic, Erhad; Gan, Shiyu; Tanner, David; Mao, Bingwei; Niu, Li; Zhang, Jingdong; Tang, Chunguang; Hush, Noel S; Reimers, Jeffrey R; Ulstrup, Jens
2015-04-01
In situ scanning tunneling microscopy combined with density functional theory molecular dynamics simulations reveal a complex structure for the self-assembled monolayer (SAM) of racemic 2-butanethiol on Au(111) in aqueous solution. Six adsorbate molecules occupy a (10×√3)R30° cell organized as two RSAuSR adatom-bound motifs plus two RS species bound directly to face-centered-cubic and hexagonally close-packed sites. This is the first time that these competing head-group arrangements have been observed in the same ordered SAM. Such unusual packing is favored as it facilitates SAMs with anomalously high coverage (30%), much larger than that for enantiomerically resolved 2-butanethiol or secondary-branched butanethiol (25%) and near that for linear-chain 1-butanethiol (33%).
Hansen, Henri; Linke, Udo; Feibelman, Peter Julian; Polop, Celia; Zhong, Z.; Michely, Thomas; Busse, Carsten; Langenkamp, Winfried; Kotrla, M.
2003-07-01
We present a combined experimental and theoretical study of submonolayer growth in the presence of predeposited immobile impurities. Scanning tunneling microscopy measurements of Al/Al(1 1 1) epitaxy in the presence of oxygen adsorbates show that immobile O impurities influence all aspects of the early stages of homoepitaxial growth on Al(1 1 1). Possible scenarios for modified growth are investigated using kinetic Monte Carlo simulations. Dependences of island density on temperature, impurity concentration and strength and type of adatom-impurity interaction are compared. The comparison shows that the morphology of the growing Al film cannot result from only one interaction type: attractive or repulsive. An oscillatory interaction, suggested by ab initio calculations, is proposed to explain the behavior of the system.
NASA Astrophysics Data System (ADS)
Shields, Ashley E.; Santos-Carballal, David; de Leeuw, Nora H.
2016-05-01
Thorium dioxide is of significant research interest for its use as a nuclear fuel, particularly as part of mixed oxide fuels. We present the results of a density functional theory (DFT) study of uranium-substituted thorium dioxide, where we found that increasing levels of uranium substitution increases the covalent nature of the bonding in the bulk ThO2 crystal. Three low Miller index surfaces have been simulated and we propose the Wulff morphology for a ThO2 particle and STM images for the (100), (110), and (111) surfaces studied in this work. We have also calculated the adsorption of a uranium atom and the U adatom is found to absorb strongly on all three surfaces, with particular preference for the less stable (100) and (110) surfaces, thus providing a route to the incorporation of uranium into a growing thoria particle.
Enhanced magnetic anisotropies of single transition-metal adatoms on a defective MoS2 monolayer.
Cong, W T; Tang, Z; Zhao, X G; Chu, J H
2015-03-23
Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers.
Enhanced Magnetic Anisotropies of Single Transition-Metal Adatoms on a Defective MoS2 Monolayer
Cong, W. T.; Tang, Z.; Zhao, X. G.; Chu, J. H.
2015-01-01
Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers. PMID:25797135
CO-Induced Embedding of Pt Adatoms in a Partially Reduced FeOx Film on Pt(111)
Merte, L. R.; Knudsen, Jan; Eichhorn, Falk M.; Porsgaard, Soeren; Zeuthen, Helene; Grabow, Lars C.; Laegsgaard, E.; Bluhm, Hendrik; Salmeron, Miquel B.; Mavrikakis, Manos; Besenbacher, Fleming
2011-07-20
The reduction of a single-layer FeOfilmgrown on Pt(111) by CO at elevated pressures and temperatures has been studied through an interplay of scanning tunneling microscopy, ambient-pressure X-ray photoelectron spectroscopy, and density functional theory calculations. Exposure of the FeO thin film to CO at pressures between 1 and 30 Torr and temperatures between 500 and 530 K leads to formation of a honeycomb-structured Fe3O2 film with hollow sites occupied by single Pt atoms extracted from the substrate surface. The formation of these adatoms is driven by an increase in CO adsorption energy. In addition, the structure incorporates undercoordinated Fe centers, which are proposed to have substantial effects on the catalytic properties of the surface.
Formation of O Adatom Pairs and Charge Transfer upon O-2 Dissociation on Reduced TiO2(110)
Du, Yingge; Deskins, N. Aaron; Zhang, Zhenrong; Dohnalek, Zdenek; Dupuis, Michel; Lyubinetsky, Igor
2010-06-01
Scanning tunneling microscopy and density functional theory have been used to investigate the details of O2 dissociation leading to the formation of oxygen adatom (Oa) pairs at terminal Ti sites. An intermediate, metastable Oa-Oa configuration with two nearest-neighbor O atoms is observed after O2 dissociation at 300 K. The nearest-neighbor Oa pairs are destabilized by Coulomb repulsion of charged Oa’s that separate further along the Ti row into energetically more favorable second-nearest neighbor configuration. The potential energy profile calculated for O2 dissociation on Ti rows and following Oa’s separation strongly supports the experimental observations. Furthermore, our results suggest that the itinerant electrons associated with the O vacancies are being utilized in the O2 dissociation process at the Ti row, whereas at least two oxygen vacancies per O2 molecule are required in order for this process to become viable.
Surface diffusion during shadow-mask-assisted molecular-beam epitaxy of III-V compounds
Schallenberg, T.; Brunner, K.; Borzenko, T.; Molenkamp, L.W.; Karczewski, G.
2005-07-01
We present a comprehensive discussion of molecular-beam epitaxy of III-V compound semiconductors through shadow masks. Based on model calculations and growth experiments, we examine how the surface diffusion and the incorporation of group-III adatoms depend on the growth configuration, group-III and group-V fluxes, and the crystal orientation. According to a macroscopic diffusion model, gradients of the group-V flux drive the unidirectional migration of group-III adatoms. Although this effect is generally observed in the experiments, the different growth profiles obtained for [110]- and [110]-oriented samples reflect the different roles of A-type and B-type steps in the incorporation of group-III adatoms. We also demonstrate that during the heteroepitaxial growth of InAs, the dissociation of the GaAs substrate is locally enhanced by the incidence of the In beam. This effect can be exploited for shadow-mask-assisted etching on selected areas. In addition, we show how the positions and sizes of III-V nanostructures can be controlled with high precision on a planar substrate by the usage of shadow masks with multiple nanoscale apertures.
Scanning tunneling microscopy of Cu, Ag, Au and Al adatoms, small clusters, and islands on graphite
NASA Astrophysics Data System (ADS)
Ganz, Eric; Sattler, Klaus; Clarke, John
1989-09-01
We have used a scanning tunneling microscope to study the static and dynamic behaviour of Cu, Ag, Au, and Al deposited in situ on highly oriented pyrolytic graphite in an ultra-high vacuum chamber. We have imaged static monomers of Ag, Au, and Al, dimers of Ag and Au, and clusters of 3 or more atoms of Ag, Al, and Au. From the lifetime of the monomers, we estimate the energy barrier against diffusion to be greater than 0.65 eV. We have studied two-dimensional islands of Ag and Au, containing up to 100 atoms, which are atomically resolved against the supporting graphite substrate. The interiors of the islands contain ordered rectangular lattices separated by grain boundaries, while the atoms at the periphery are disordered. We show a small three-dimensional Cu crystal, the decoration of a grain boundary by Cu particles with an average diameter of 44 Å, and two examples of granular films. Finally, we present examples of dynamic processes: the shrinking of a small Au island, the contraction of the lattice spacing of a rectangular two-dimensional Au lattice on a time scale of minutes, and the diffusion of a Ag cluster along a graphite step edge on a time scale of seconds.
Classically exact surface diffusion constants at arbitrary temperature
Voter, A.F.; Cohen, J.M.
1989-05-01
An expression is presented for computing the classical diffusion constant of a point defect (e.g., an adatom) in an infinite lattice of binding sites at arbitrary temperature. The transition state theory diffusion constant is simply multiplied by a dynamical correction factor that is computed from short-time classical trajectories initiated at the site boundaries. The time scale limitations of direct molecular dynamics are thus avoided in the low- and middle-temperature regimes. The expression results from taking the time derivative of the particle mean-square displacement in the lattice-discretized coordinate system. Applications are presented for surface diffusion on fcc(100) and fcc(111) Lennard-Jones crystal faces.
Classically exact surface diffusion constants at arbitrary temperature
Voter, A.F.; Cohen, J.M.
1988-01-01
An expression is presented for computing the classical diffusion constant of a point defect (e.g., adatom) in an infinite lattice of binding sites at arbitrary temperature. The transition state theory diffusion constant is simply multiplied by a dynamical correction factor that is computed from short-time classical trajectories initiated at the site boundaries. The time scale limitations of direct molecular dynamics are thus avoided in the low and middle temperature regimes. The expression resulted from taking the time derivative of the particle mean square displacement in the lattice-discretized coordinate system. Applications are presented for surface diffusion on fcc(100) and fcc(111) Lennard-Jones crystal faces. 14 refs., 3 figs.
Ainscow; Aldalur; Beezer; Connor; Garbett; Mitchell; Page; Tindale; Turner; Willson
1999-05-01
Measurement of the kinetics of extraction of copper(II) by 19 different 5-alkyl-2-hydroxybenzaldoximes (alkyl is C7H15 and C9H19) from acidic (hydrogen sulfate buffer) aqueous solution in the range pH 3.4-2.0, into 20% v/v toluene in n-hexane is reported. The lowering of the interfacial tension has been measured in some cases. The solubility of the extractants in water has been measured spectrophotometrically. A modified Taylor-Aris dispersion technique has been used to measure the diffusion coefficients in n-hexane and Orfom SX7 of some of the extractants and of the copper(II) complexes which they form. At low initial bulk concentrations (<10 mol m-3) of the extractants, the rate of extraction is controlled by the rate of diffusion of the extractant from the bulk to the organic-aqueous interface. The diffusion coefficient is related to the steric bulk of the alkyl substituent. At higher initial bulk concentrations (200 mol m-3) of the extractants, when the interface is saturated, the rate of extraction is inversely related to the apparent steric bulk of the alkyl substituent. Copyright 1999 Academic Press.
NASA Astrophysics Data System (ADS)
Goniakowski, Jacek; Noguera, Claudine; Giordano, Livia; Pacchioni, Gianfranco
2009-09-01
We present a theoretical density-functional theory study on the deposition of metal atoms (Ir, Pd, Pt, Ag, and Au) on FeO(111) and MgO(111) monolayers supported on Pt(111). We show the existence of a strong coupling between the charge state of the adsorbed adatom and the local polaroniclike distortion of the oxide film, and we identify two qualitatively different adsorption modes in which the distortion either reinforces the rumpling of the supported oxide film (positively charged adsorbates) or reduces or even reverses the cation-anion stacking (negatively charged adsorbates). Thus, the adsorption mode is a response to the charge state of the adsorbate and is driven mainly by the capacity of adatoms to exchange electrons with the support.
Combustor diffuser interaction program
NASA Technical Reports Server (NTRS)
Srinivasan, Ram; Thorp, Daniel
1986-01-01
Advances in gas turbine engine performance are achieved by using compressor systems with high stage loading and low part count, which result in high exit Mach numbers. The diffuser and combustor systems in such engines should be optimized to reduce system pressure loss and to maximize the engine thrust-to-weight ratio and minimize length. The state-of-the-art combustor-diffuser systems do not meet these requirements. Detailed understanding of the combustor-diffuser flow field interaction is required for designing advanced gas turbine engines. An experimental study of the combustor-diffuser interaction (CDI) is being conducted to obtain data for the evaluation and improvement of analytical models applicable to a wide variety of diffuser designs. The CDI program consists of four technical phases: Literature Search; Baseline Configuration; Parametric Configurations; and Performance Configurations. Phase 2 of the program is in progress.
NASA Astrophysics Data System (ADS)
Krajčí, Marian; Hafner, J.
2008-04-01
By using ab initio density-functional calculations, we have explored the conditions for the formation of quasiperiodic overlayers on top of a fivefold surface of an icosahedral Al-Pd-Mn quasicrystal. We calculate binding energies of single adatoms at special sites of the surface, with the aim to construct the potential-energy landscape of the quasiperiodic surface. We show that the energetically favorable adsorption sites are located at the vertices of a DHBS tiling [consisting of decagons (D), hexagons (H), boats (B), and stars (S)] describing the quasiperiodic ordering of the surface. An idealized structural model for the adlayer is constructed by decorating the interior of these tiles such that atoms are placed again in energetically favorable locations and that the local arrangement does not break the fivefold symmetry of the underlying substrate. The stability of this idealized structure is probed for elements from groups one to three of the Periodic Table by performing a conjugate-gradient relaxation under the action of the ab initio calculated forces. We demonstrate that in addition to a strong binding of the adatoms to the substrate, the size of the adatoms and the achievement of a dense surface coverage are the most important factors influencing the stability of quasiperiodic ordering in the adsorbed monolayer. From the analysis of the geometrical distribution of the adsorption sites, we conclude that a dense quasiperiodic overlayer with a density of 0.066atoms/Å2 (corresponding to a coverage Θ≈0.50 monolayers) can be formed by adatoms with an atomic size of 3.7Å±0.4Å . Atoms with this size are Na, Ca, Y, and La. We suggest that these elements and presumably also most rare-earth elements are good candidates for the formation of highly regular quasiperiodic adlayers with a structure described by a decagonal DHBS tiling consisting of decagons, hexagons, boats, and pentagonal stars.
NASA Astrophysics Data System (ADS)
Wetzel, H.; Gerischer, H.; Pettinger, B.
1981-03-01
Surface enhanced Raman scattering has been observed for silver-halide vibrations at 246 (Ag-Cl), 166 (Ag-Br) and 117 cm -1 (Aa-I). At potentials cathodic to -0.6 V, addition of pyridine leads to the appearance of two enhanced bands around 173 and 252 cm -1. Two requirements are needed simultaneously for large enhancement factors, large-scale surface roughness and ad-atoms.
NASA Astrophysics Data System (ADS)
Cheng, Yu-Ting; Shan, Tzu-Ray; Devine, Bryce; Lee, Donghwa; Liang, Tao; Hinojosa, Beverly B.; Phillpot, Simon R.; Asthagiri, Aravind; Sinnott, Susan B.
2012-08-01
Cu/ZnO heterogeneous systems are used to catalyze the CO2 hydrogenation to methanol, but questions remain about the nature of the active site and the role of Cu-ZnO interactions in the catalyst performance. The way in which ZnO surfaces support Cu clusters and stabilize their active sites is a key factor for maintaining catalyst activity. Processes such as sintering, alloying and encapsulation may play an important role in the activity of the catalyst but are difficult to model directly with density functional theory (DFT). In this work, we report the development of charge-optimized many-body (COMB) potentials to model the Cu/ZnO system. This potential is then used in conjugation with the dimer method, which uses the first derivative of the potential energy and the initial state of the transition to find saddle points, to examine the migration barriers of Cu adatoms on Cu and ZnO surfaces. These findings are validated against the results of density functional theory (DFT) calculations and published experimental data.
A NOTE ON PERPENDICULAR SCATTERING LENGTHS
Tautz, R. C.
2009-10-01
The problem of cosmic ray diffusion in magnetostatic slab turbulence is revisited. It is known that, for large timescales, the perpendicular diffusion coefficient is subdiffusive. Although, for small timescales, the field line random walk limit should apply, it is shown that the perpendicular motion is dominated by the Larmor orbit, and that no constant scattering length can be seen. It is therefore concluded that, in magnetostatic slab turbulence, perpendicular transport is completely suppressed.
Électrooxydation du mésoérythritol sur platine, modifié ou non par des adatomes, en milieu acide
NASA Astrophysics Data System (ADS)
Cherqaoui, A.; Chbihi, M. El M.; Takky, D.; Kokoh, K. B.; Leger, J.-M.; Lamy, C.
1999-03-01
The electrocatalytic oxidation of meso-erythritol has been studied in 0.1 M HClO4 on platinum and on adatoms modified platinum. Preliminary investigations by cyclic voltammetry showed that erythritol was not reactive on a Pt electrode. Underpotential deposition of lead or thallium adatoms at platinum allowed to increase significantly the current densities. Long-time electrolyses were carried out using a three potential plateau program with different values of the oxidation potentials. Chromatographic analyses showed that the oxidation of erythritol led mainly to erythrose, erythrulose and to erythronic acid. Otherwise, electrolysis of erythritol on a Pt-Tl modified electrode orientated selectively the distribution of the reaction products towards the formation of erythrulose. L'oxydation électrocatalytique du mésoérythrytol a été étudiée en milieu acide HClO4 0,1 M sur le platine modifié ou non par des adatomes métalliques. Les études préliminaires réalisées par voltammétrie cyclique montrent que l'érythritol est très peu réactif sur le platine seul. La modification de la surface de l'électrode par dépôt en sous-tension d'adatomes de plomb et de thallium permet d'augmenter les densités de courant. Les électrolyses prolongées sont réalisées à l'aide d'un programme à trois paliers de potentiel et pour différentes valeurs de potentiel d'oxydation. Les analyses chromatographiques montrent que les produits d'oxydation sont l'érythrose, l'érythrulose et l'acide érythronique. D'autre part l'oxydation de l'érythritol sur le platine modifié par des adatomes de thallium conduit à une production sélective d'érythrulose.
Measuring Thermodynamic Length
Crooks, Gavin E
2007-09-07
Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interestin understanding matter out of equilibrium. In this Letter, we will consider how to denethermodynamic length for a small system described by equilibrium statistical mechanics and how to measure thermodynamic length within a computer simulation. Surprisingly, Bennett's classic acceptance ratio method for measuring free energy differences also measures thermodynamic length.
Ab initio study of subsurface diffusion of Cu on the H-passivated Si(001) surface
NASA Astrophysics Data System (ADS)
Rodriguez-Prieto, A.; Bowler, D. R.
2009-10-01
In this paper we use density-functional theory calculations to analyze both the stability and diffusion of Cu adatoms near and on the H-passivated Si(001) surface. Two different Cu sources are considered: depositing Cu from vacuum, and contaminating Cu outdiffusing from bulk Si. Deposited Cu from vacuum quickly moves subsurface to an interstitial site in the third Si layer (T2). Once there, Cu adatoms enter a subsurface zigzag migration route between T2 and another subsurface site, T2→HSL→T2 , along the dimer row direction. Contaminating Cu outdiffusing from bulk is found to be a fast diffuser along both parallel and perpendicular directions to the dimer row when far from the surface. It is attracted to the layers close to the surface and becomes trapped at an interstitial site located at the sixth Si layer (T3). As the outdiffusing Cu atoms get closer to the surface, a channeling zigzag diffusion along the dimer row direction, similar to that one followed by deposited Cu from vacuum, is favoured over diffusion along the perpendicular direction. These results are consistent with previous experimental work done on similar systems and will motivate further experiments on the interesting interaction between Cu and Si surfaces.
NASA Astrophysics Data System (ADS)
Fukuyama, Hidenao
Recent advances of magnetic resonance imaging have been described, especially stressed on the diffusion sequences. We have recently applied the diffusion sequence to functional brain imaging, and found the appropriate results. In addition to the neurosciences fields, diffusion weighted images have improved the accuracies of clinical diagnosis depending upon magnetic resonance images in stroke as well as inflammations.
NASA Astrophysics Data System (ADS)
Magkoev, T. T.; Christmann, K.; Lecante, P.; Moutinho, A. M. C.
2002-04-01
Adsorption of the first-row transition 3d metals (Ti-Cu) on the atomically clean Mo(110) surface in ultra-high-vacuum conditions has been studied by Auger electron spectroscopy and work function measurements (Anderson method). In this letter it is shown that adsorption behaviour of the metals under consideration systematically changes along the 3d series. The observed correlation between the systematic change of the dipole moments and the values of the charge transfer from adatom to substrate along the period leads us to the conclusion that the metal 3d orbitals play an important role in the formation of the chemisorption bond.
Diffusion superficielle sur le cuivre: Influence des marches
NASA Astrophysics Data System (ADS)
Cousty, J.; Peix, R.; Perraillon, B.
1981-06-01
The surface self-diffusion coefficients of several clean flat copper surfaces have been measured by a radiotracer method. The surface impurity concentration remains lower than 0.01 monolayer and the atomic structure of the surface is not disturbed by the diffusion measurement. At 820 K (0.67 Tm), the following results are obtained on the (100), (111), (110), (310), (511) and (331) faces: (a) The surface diffusion perpendicular to the step array is independent of the step density, (b) The diffusion on the (110), (511) and (331) faces shows a strong anisotropy. This one is attributed to a large mobility of the tracer atoms along the [110] steps. By contrast, [001] step does not affect appreciably the diffusion on the (100) terraces as shown the results obtained on the (310) face. This interpretation is supported by an evaluation of the ratios of the adatom jump frequencies at each step site on these vicinal surfaces, using an atomistic model of surface diffusion.
Trinkaus, Erik; Holliday, Trenton W.; Auerbach, Benjamin M.
2014-01-01
The Late Pleistocene archaic humans from western Eurasia (the Neandertals) have been described for a century as exhibiting absolutely and relatively long clavicles. This aspect of their body proportions has been used to distinguish them from modern humans, invoked to account for other aspects of their anatomy and genetics, used in assessments of their phylogenetic polarities, and used as evidence for Late Pleistocene population relationships. However, it has been unclear whether the usual scaling of Neandertal clavicular lengths to their associated humeral lengths reflects long clavicles, short humeri, or both. Neandertal clavicle lengths, along with those of early modern humans and latitudinally diverse recent humans, were compared with both humeral lengths and estimated body masses (based on femoral head diameters). The Neandertal do have long clavicles relative their humeri, even though they fall within the ranges of variation of early and recent humans. However, when scaled to body masses, their humeral lengths are relatively short, and their clavicular lengths are indistinguishable from those of Late Pleistocene and recent modern humans. The few sufficiently complete Early Pleistocene Homo clavicles seem to have relative lengths also well within recent human variation. Therefore, appropriately scaled clavicular length seems to have varied little through the genus Homo, and it should not be used to account for other aspects of Neandertal biology or their phylogenetic status. PMID:24616525
NASA Astrophysics Data System (ADS)
Bełtowska-Brzezinska, M.; Łuczak, T.; Stelmach, J.; Holze, R.
2014-04-01
Kinetics and mechanism of formic acid (FA) oxidation on platinum and upd-lead ad-atoms modified platinum electrodes have been studied using unlabelled and deuterated compounds. Poisoning of the electrode surface by CO-like species was prevented by suppression of dissociative chemisorption of FA due to a fast competitive underpotential deposition of lead ad-atoms on the Pt surface from an acidic solution containing Pb2+ cations. Modification of the Pt electrode with upd lead induced a catalytic effect in the direct electrooxidation of physisorbed FA to CO2. With increasing degree of H/D substitution, the rate of this reaction decreased in the order: HCOOH > DCOOH ≥ HCOOD > DCOOD. HCOOH was oxidized 8.5-times faster on a Pt/Pb electrode than DCOOD. This primary kinetic isotope effect proves that the C-H- and O-H-bonds are simultaneously cleaved in the rate determining step. A secondary kinetic isotope effect was found in the dissociative chemisorption of FA in the hydrogen adsorption-desorption range on a bare Pt electrode after H/D exchange in the C-H bond, wherein the influence of deuterium substitution in the O-H group was negligibly small. Thus the C-H bond cleavage is accompanied by the C-OH and not the O-H bond split in the FA decomposition, producing CO-like species on the Pt surface sites.
Myofilament length dependent activation
de Tombe, Pieter P.; Mateja, Ryan D.; Tachampa, Kittipong; Mou, Younss Ait; Farman, Gerrie P.; Irving, Thomas C.
2010-05-25
The Frank-Starling law of the heart describes the interrelationship between end-diastolic volume and cardiac ejection volume, a regulatory system that operates on a beat-to-beat basis. The main cellular mechanism that underlies this phenomenon is an increase in the responsiveness of cardiac myofilaments to activating Ca{sup 2+} ions at a longer sarcomere length, commonly referred to as myofilament length-dependent activation. This review focuses on what molecular mechanisms may underlie myofilament length dependency. Specifically, the roles of inter-filament spacing, thick and thin filament based regulation, as well as sarcomeric regulatory proteins are discussed. Although the 'Frank-Starling law of the heart' constitutes a fundamental cardiac property that has been appreciated for well over a century, it is still not known in muscle how the contractile apparatus transduces the information concerning sarcomere length to modulate ventricular pressure development.
ERIC Educational Resources Information Center
Martins, Roberto de A.
1978-01-01
Describes a thought experiment using a general analysis approach with Lorentz transformations to show that the apparent self-contradictions of special relativity concerning the length-paradox are really non-existant. (GA)
Computer modelling of nanoscale diffusion phenomena at epitaxial interfaces
NASA Astrophysics Data System (ADS)
Michailov, M.; Ranguelov, B.
2014-05-01
The present study outlines an important area in the application of computer modelling to interface phenomena. Being relevant to the fundamental physical problem of competing atomic interactions in systems with reduced dimensionality, these phenomena attract special academic attention. On the other hand, from a technological point of view, detailed knowledge of the fine atomic structure of surfaces and interfaces correlates with a large number of practical problems in materials science. Typical examples are formation of nanoscale surface patterns, two-dimensional superlattices, atomic intermixing at an epitaxial interface, atomic transport phenomena, structure and stability of quantum wires on surfaces. We discuss here a variety of diffusion mechanisms that control surface-confined atomic exchange, formation of alloyed atomic stripes and islands, relaxation of pure and alloyed atomic terraces, diffusion of clusters and their stability in an external field. The computational model refines important details of diffusion of adatoms and clusters accounting for the energy barriers at specific atomic sites: smooth domains, terraces, steps and kinks. The diffusion kinetics, integrity and decomposition of atomic islands in an external field are considered in detail and assigned to specific energy regions depending on the cluster stability in mass transport processes. The presented ensemble of diffusion scenarios opens a way for nanoscale surface design towards regular atomic interface patterns with exotic physical features.
Sprouse, Gene D.
2011-07-15
Technological changes have moved publishing to electronic-first publication where the print version has been relegated to simply another display mode. Distribution in HTML and EPUB formats, for example, changes the reading environment and reduces the need for strict pagination. Therefore, in an effort to streamline the calculation of length, the APS journals will no longer use the printed page as the determining factor for length. Instead the journals will now use word counts (or word equivalents for tables, figures, and equations) to establish length; for details please see http://publish.aps.org/authors/length-guide. The title, byline, abstract, acknowledgment, and references will not be included in these counts allowing authors the freedom to appropriately credit coworkers, funding sources, and the previous literature, bringing all relevant references to the attention of readers. This new method for determining length will be easier for authors to calculate in advance, and lead to fewer length-associated revisions in proof, yet still retain the quality of concise communication that is a virtue of short papers.
NASA Astrophysics Data System (ADS)
Demaison, Jean; Császár, Attila G.
2012-09-01
Based on a sample of 38 molecules, 47 accurate equilibrium CO bond lengths have been collected and analyzed. These ultimate experimental (reEX), semiexperimental (reSE), and Born-Oppenheimer (reBO) equilibrium structures are compared to reBO estimates from two lower-level techniques of electronic structure theory, MP2(FC)/cc-pVQZ and B3LYP/6-311+G(3df,2pd). A linear relationship is found between the best equilibrium bond lengths and their MP2 or B3LYP estimates. These (and similar) linear relationships permit to estimate the CO bond length with an accuracy of 0.002 Å within the full range of 1.10-1.43 Å, corresponding to single, double, and triple CO bonds, for a large number of molecules. The variation of the CO bond length is qualitatively explained using the Atoms in Molecules method. In particular, a nice correlation is found between the CO bond length and the bond critical point density and it appears that the CO bond is at the same time covalent and ionic. Conditions which permit the computation of an accurate ab initio Born-Oppenheimer equilibrium structure are discussed. In particular, the core-core and core-valence correlation is investigated and it is shown to roughly increase with the bond length.
A computational ab initio study of surface diffusion of sulfur on the CdTe (111) surface
NASA Astrophysics Data System (ADS)
Naderi, Ebadollah; Ghaisas, S. V.
2016-08-01
In order to discern the formation of epitaxial growth of CdS shell over CdTe nanocrystals, kinetics related to the initial stages of the growth of CdS on CdTe is investigated using ab-initio methods. We report diffusion of sulfur adatom on the CdTe (111) A-type (Cd-terminated) and B-type (Te-terminated) surfaces within the density functional theory (DFT). The barriers are computed by applying the climbing Nudge Elastic Band (c-NEB) method. From the results surface hopping emerges as the major mode of diffusion. In addition, there is a distinct contribution from kick-out type diffusion in which a CdTe surface atom is kicked out from its position and is replaced by the diffusing sulfur atom. Also, surface vacancy substitution contributes to the concomitant dynamics. There are sites on the B- type surface that are competitively close in terms of the binding energy to the lowest energy site of epitaxy on the surface. The kick-out process is more likely for B-type surface where a Te atom of the surface is displaced by a sulfur adatom. Further, on the B-type surface, subsurface migration of sulfur is indicated. Furthermore, the binding energies of S on CdTe reveal that on the A-type surface, epitaxial sites provide relatively higher binding energies and barriers than on B-type.
NASA Astrophysics Data System (ADS)
Senoo, Y.
The influence of vaneless diffusers on flow in centrifugal compressors, particularly on surge, is discussed. A vaneless diffuser can demonstrate stable operation in a wide flow range only if it is installed with a backward leaning blade impeller. The circumferential distortion of flow in the impeller disappears quickly in the vaneless diffuser. The axial distortion of flow at the diffuser inlet does not decay easily. In large specific speed compressors, flow out of the impeller is distorted axially. Pressure recovery of diffusers at distorted inlet flow is considerably improved by half guide vanes. The best height of the vanes is a little 1/2 diffuser width. In small specific speed compressors, flow out of the impeller is not much distorted and pressure recovery can be predicted with one-dimensional flow analysis. Wall friction loss is significant in narrow diffusers. The large pressure drop at a small flow rate can cause the positive gradient of the pressure-flow rate characteristic curve, which may cause surging.
Degradation of bulk diffusion length in CZ silicon solar cells
Reiss, J.H.; King, R.R.; Mitchell, K.W.
1995-08-01
Commercially-produced, unencapsulated, CZ silicon solar cells can lose 3 to 4% of their initial efficiency after exposure to light. After this initial, rapid ( < 30 min.) decrease, the cell power output remains stable. The cell performance recovers in a matter of hours in the dark at room temperature, and degrades again under light exposure. The different conditions under which CZ silicon cells degrade, and the reverse process, annealing, are characterized with the methods of spectral response and current-voltage (I-V) measurements. Iron impurities are a possible cause of this effect.
NASA Astrophysics Data System (ADS)
Almeida, S.; Ochoa, E.; Chavez, J. J.; Zhou, X. W.; Zubia, D.
2015-08-01
The surface diffusivity and residence time were calculated by molecular dynamics simulations in order to solve the surface diffusion equations for selective-area growth. The calculations for CdTe/CdS material system were performed in substrates with Cd termination and S termination. The surface diffusivity and residence time were obtained at different temperatures (600 K, 800 K, 1000 K, 1200 K, and 1400 K). The thermal activation energies were extracted from Arrhenius equation for each substrate termination. Thereafter, values obtained by molecular dynamics were used in a surface diffusion model to calculate the surface concentration profile of adatoms. Alternating the surface termination has the potential to achieve nanoscale selective-area growth without the need of a dielectric film as a mask.
NASA Technical Reports Server (NTRS)
1981-01-01
A diffuse celestial radiation which is isotropic at least on a course scale were measured from the soft X-ray region to about 150 MeV, at which energy the intensity falls below that of the galactic emission for most galactic latitudes. The spectral shape, the intensity, and the established degree of isotropy of this diffuse radiation already place severe constraints on the possible explanations for this radiation. Among the extragalactic theories, the more promising explanations of the isotropic diffuse emission appear to be radiation from exceptional galaxies from matter antimatter annihilation at the boundaries of superclusters of galaxies of matter and antimatter in baryon symmetric big bang models. Other possible sources for extragalactic diffuse gamma radiation are discussed and include normal galaxies, clusters of galaxies, primordial cosmic rays interacting with intergalactic matter, primordial black holes, and cosmic ray leakage from galaxies.
NASA Technical Reports Server (NTRS)
Nicolet, M. A.
1983-01-01
The choice of the metallic film for the contact to a semiconductor device is discussed. One way to try to stabilize a contact is by interposing a thin film of a material that has low diffusivity for the atoms in question. This thin film application is known as a diffusion barrier. Three types of barriers can be distinguished. The stuffed barrier derives its low atomic diffusivity to impurities that concentrate along the extended defects of a polycrystalline layer. Sacrificial barriers exploit the fact that some (elemental) thin films react in a laterally uniform and reproducible fashion. Sacrificial barriers have the advantage that the point of their failure is predictable. Passive barriers are those most closely approximating an ideal barrier. The most-studied case is that of sputtered TiN films. Stuffed barriers may be viewed as passive barriers whose low diffusivity material extends along the defects of the polycrystalline host.
NASA Astrophysics Data System (ADS)
Cheng, Jason Yu-Lin
This dissertation is composed of theoretical and experimental work in surface physics. I have performed calculations of electromigration wind forces felt by a Na adatom on Na (110) stepped metal surfaces. Electromigration is a process which impurities are induced to drift in a particular direction when an electric field is applied across the sample. I find that the electromigration wind force felt by an adatom is changed due to the presence of step edge on the surface. My experimental work explores the magnetic order-disorder phase transition of antiferromagnetic nickel oxide thin films. I find that the Neel temperature is different for nickel oxide thin films and bulk samples. In my theoretical calculations I have applied multiple scattering theory to explore the variation of the electromigration wind force experienced by a Na adatom on Na (110) stepped metal surfaces. I find that the electromigration wind force felt by a migrating adatom is strongly perturbed as the adatom approaches a step edge. This is a result of multiple scattering of the carriers between the adatom and step which alters the local current density. In addition, the electromigration wind force felt by a Na adatom in the lower and the upper step regions is asymmetric. The implications of this inhomogeneity in the electromigration driving force for current-induced changes in surface morphology are discussed. In my experimental work, antiferromagnetic nickel oxide (NiO) thin films were grown on single crystal Ag (100) by means of electron beam deposition. My low energy electron diffraction (LEED) and Auger electron spectroscopy (AES) results indicate that the magnetic order in NiO may be dependent upon the oxygen stoichiometry in the thin film. I show that in thin films approximately 13 monolayers thick, the Neel temperature, TN, of NiO is 631 K which is higher than the bulk value of TN = 523 K. Furthermore, I find that as the film thickness is increased, the Neel temperature decreases towards the
Jin, Hao; Dai, Ying; Huang, Bai-Biao
2016-01-01
Searching for novel photocatalysts is one of the most important topic in photocatalytic fields. In the present work, we propose a feasible approach to improve the photocatalytic activities of 2D bilayers through surface decoration, i.e. hydrogenation, halogenation, and hydroxylation. Our investigations demonstrate that after surface modification, the optical adsorption expands into the visible region, while a built-in electric field is induced due to the interlayer coupling, which can promote the charge separation for photogenerated electron-hole pairs. Our results show that the indirect-direct band gap transition of SiC, SnC, BN and GaN can be realised through adatom decoration. Furthermore, the surface-modified 2D bilayers have suitable VBM and CBM alignments with the oxidation and reduction potentials for water splitting, suggesting powerful potentials in energy and environmental applications. PMID:26983908
Li, Wentian; Freudenberg, Jan
2014-01-01
Power-law distributions are the main functional form for the distribution of repeat size and repeat copy number in the human genome. When the genome is broken into fragments for sequencing, the limited size of fragments and reads may prevent an unique alignment of repeat sequences to the reference sequence. Repeats in the human genome can be as long as 104 bases, or 105 − 106 bases when allowing for mismatches between repeat units. Sequence reads from these regions are therefore unmappable when the read length is in the range of 103 bases. With a read length of 1000 bases, slightly more than 1% of the assembled genome, and slightly less than 1% of the 1 kb reads, are unmappable, excluding the unassembled portion of the human genome (8% in GRCh37/hg19). The slow decay (long tail) of the power-law function implies a diminishing return in converting unmappable regions/reads to become mappable with the increase of the read length, with the understanding that increasing read length will always move toward the direction of 100% mappability. PMID:25426137
Diffusion Barriers Block Defect Occupation on Reduced CeO2(111 )
NASA Astrophysics Data System (ADS)
Lustemberg, P. G.; Pan, Y.; Shaw, B.-J.; Grinter, D.; Pang, Chi; Thornton, G.; Pérez, Rubén; Ganduglia-Pirovano, M. V.; Nilius, N.
2016-06-01
Surface defects are believed to govern the adsorption behavior of reducible oxides. We challenge this perception on the basis of a combined scanning-tunneling-microscopy and density-functional-theory study, addressing the Au adsorption on reduced CeO2 -x(111 ) . Despite a clear thermodynamic preference for oxygen vacancies, individual Au atoms were found to bind mostly to regular surface sites. Even at an elevated temperature, aggregation at step edges and not decoration of defects turned out to be the main consequence of adatom diffusion. Our findings are explained with the polaronic nature of the Au-ceria system, which imprints a strong diabatic character onto the diffusive motion of adatoms. Diabatic barriers are generally higher than those in the adiabatic regime, especially if the hopping step couples to an electron transfer into the ad-gold. As the population of O vacancies always requires a charge exchange, defect decoration by Au atoms becomes kinetically hindered. Our study demonstrates that polaronic effects determine not only electron transport in reducible oxides but also the adsorption characteristics and therewith the surface chemistry.
Diffusion Barriers Block Defect Occupation on Reduced CeO_{2}(111).
Lustemberg, P G; Pan, Y; Shaw, B-J; Grinter, D; Pang, Chi; Thornton, G; Pérez, Rubén; Ganduglia-Pirovano, M V; Nilius, N
2016-06-10
Surface defects are believed to govern the adsorption behavior of reducible oxides. We challenge this perception on the basis of a combined scanning-tunneling-microscopy and density-functional-theory study, addressing the Au adsorption on reduced CeO_{2-x}(111). Despite a clear thermodynamic preference for oxygen vacancies, individual Au atoms were found to bind mostly to regular surface sites. Even at an elevated temperature, aggregation at step edges and not decoration of defects turned out to be the main consequence of adatom diffusion. Our findings are explained with the polaronic nature of the Au-ceria system, which imprints a strong diabatic character onto the diffusive motion of adatoms. Diabatic barriers are generally higher than those in the adiabatic regime, especially if the hopping step couples to an electron transfer into the ad-gold. As the population of O vacancies always requires a charge exchange, defect decoration by Au atoms becomes kinetically hindered. Our study demonstrates that polaronic effects determine not only electron transport in reducible oxides but also the adsorption characteristics and therewith the surface chemistry.
The role of stress and diffusion in structure formation in semiconductors
NASA Astrophysics Data System (ADS)
Bouville, Mathieu
This dissertation addresses two aspects of the theory and simulation of stress-diffusion coupling in semiconductors. The first part is a study of the role of kinetics in the formation of pits in stressed thin films. The second part describes how atomic-scale calculations can be used to extract the thermodynamic and elastic properties of point-defects. For both aspects, there exists an interaction between phenomena at the atomic and macroscopic scales and the formation of both point-defects and surface features depends on the stress state of the system. Recently, pit nucleation has been observed in a variety of semiconductor thin films. We present a model for pit nucleation in which the adatom concentration plays a central role in controlling the morphological development of the surface. Although pits relieve elastic energy more efficiently than islands, pit nucleation can be prevented by a high adatom concentration. Three-dimensional islands act as adatom sinks and the lower adatom density in their vicinity promotes pit nucleation. Thermodynamic considerations predict several different growth regimes in which pits may nucleate at different stages of growth depending on the growth conditions and materials system. When kinetics are taken into account, the model predicts a wide range of possible morphologies: planar films, islands alone, island nucleation followed by pit nucleation, and pits alone. The model shows good agreement with experimental observations in III-V systems given the uncertainties in quantifying experimental parameters such as the surface energy. The same stresses which lead to the nucleation of surface features can have a significant effect on the stability of dopant profiles by altering diffusivities and by inducing chemical potential gradients. We perform empirical calculations regarding a simple model point-defect, a vacancy in the Stillinger Weber model of silicon. In the context of these calculations we devise a method to extract the strength
Tracer diffusion in silica inverse opals.
Cherdhirankorn, Thipphaya; Retsch, Markus; Jonas, Ulrich; Butt, Hans-Juergen; Koynov, Kaloian
2010-06-15
We employed fluorescence correlation spectroscopy (FCS) to study the diffusion of small fluorescence tracers in liquid filled silica inverse opals. The inverse opals consisted of a nanoporous silica scaffold spanning a hexagonal crystal of spherical voids of 360 nm diameter connected by circular pores of 70 nm diameter. The diffusion of Alexa Fluor 488 in water and of perylene-3,4,9,10-tetracarboxylic diimide (PDI) in toluene was studied. Three diffusion modes could be distinguished: (1) Free diffusion limited by the geometric constraints given by the inverse opal, where, as compared to the free solution, this diffusion is slowed down by a factor of 3-4, (2) slow diffusion inside the nanoporous matrix of the silica scaffold, and (3) diffusion limited by adsorption. On the length scale of the focus of a confocal microscope of roughly 400 nm diffusion was non-Fickian in all cases.
Spin diffusion in disordered organic semiconductors
NASA Astrophysics Data System (ADS)
Li, Ling; Gao, Nan; Lu, Nianduan; Liu, Ming; Bässler, Heinz
2015-12-01
An analytical theory for spin diffusion in disordered organic semiconductors is derived. It is based on percolation theory and variable range hopping in a disordered energy landscape with a Gaussian density of states. It describes universally the dependence of the spin diffusion on temperature, carrier density, material disorder, magnetic field, and electric field at the arbitrary magnitude of the Hubbard energy of charge pairs. It is found that, compared to the spin transport carried by carriers hopping, the spin exchange will hinder the spin diffusion process at low carrier density, even under the condition of a weak electric field. Importantly, under the influence of a bias voltage, anomalous spreading of the spin packet will lead to an abnormal temperature dependence of the spin diffusion coefficient and diffusion length. This explains the recent experimental data for spin diffusion length observed in Alq3.
NASA Astrophysics Data System (ADS)
Shademan, Shabnam
2001-05-01
This study tests whether Farsi vowels are contrastive with respective to length. Farsi has a six-vowel system with three lax vowels and three tense vowels. Both traditional grammarians and modern linguists believe that Farsi tense vowels are longer than lax vowels, and that there are no vowel pairs that contrast only in length. However, it has been suggested that Farsi exhibits compensatory lengthening, which is triggered by the deletion of glottal consonants in coda position in informal speech (Darzi, 1991). As a result, minimal pairs such as [tar] and [tarh] should contrast only with respect to vowel length. A corpus of 90 words of the form CVC, CVCG, CVGC, and CVCC (where V=a vowel and G=a glottal consonant) was recorded, and durations of vowels in different contexts were measured and compared. Preliminary results show that lax vowel durations fall into three groups with CVCC longer than CVCG/CVGC, and the latter longer than CVC. It remains to be seen whether CVCG/CVGC words show compensatory lengthening when the glottal consonant is deleted.
Delayed Feedback Model of Axonal Length Sensing
Karamched, Bhargav R.; Bressloff, Paul C.
2015-01-01
A fundamental question in cell biology is how the sizes of cells and organelles are regulated at various stages of development. Size homeostasis is particularly challenging for neurons, whose axons can extend from hundreds of microns to meters (in humans). Recently, a molecular-motor-based mechanism for axonal length sensing has been proposed, in which axonal length is encoded by the frequency of an oscillating retrograde signal. In this article, we develop a mathematical model of this length-sensing mechanism in which advection-diffusion equations for bidirectional motor transport are coupled to a chemical signaling network. We show that chemical oscillations emerge due to delayed negative feedback via a Hopf bifurcation, resulting in a frequency that is a monotonically decreasing function of axonal length. Knockdown of either kinesin or dynein causes an increase in the oscillation frequency, suggesting that the length-sensing mechanism would produce longer axons, which is consistent with experimental findings. One major prediction of the model is that fluctuations in the transport of molecular motors lead to a reduction in the reliability of the frequency-encoding mechanism for long axons. PMID:25954897
ERIC Educational Resources Information Center
Foy, Barry G.
1977-01-01
Two demonstrations are described. Materials and instructions for demonstrating movement of molecules into cytoplasm using agar blocks, phenolphthalein, and sodium hydroxide are given. A simple method for demonstrating that the rate of diffusion of a gas is inversely proportional to its molecular weight is also presented. (AJ)
NASA Astrophysics Data System (ADS)
Haba, Z.
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.
ERIC Educational Resources Information Center
Dou, Remy; Hogan, DaNel; Kossover, Mark; Spuck, Timothy; Young, Sarah
2013-01-01
Diffusion has often been taught in science courses as one of the primary ways by which molecules travel, particularly within organisms. For years, classroom teachers have used the same common demonstrations to illustrate this concept (e.g., placing drops of food coloring in a beaker of water). Most of the time, the main contributor to the motion…
Haba, Z
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.
Diffusion and dissociation of two-dimensional islands on FCC metal (100) surfaces
Zhang, Z.Y.; Shi, Z.P.; Haug, K.
1996-09-01
The mobility and the stability of small two-dimensional islands on a substrate are basic issues of surface science and thin-film growth. In this article, the authors present the main results from a series of theoretical studies of island diffusion and dissociation on several fcc metal (100) surfaces, with and without the effects of hydrogen as surface impurities. They found that a collective atomic process, shearing of a dimer belonging to a compact island, in many cases provides the most effective pathway for island diffusion. Consideration of this novel atomic process leads to the possibility of observing a new set of critical island sizes in dynamical island growth or coarsening. When H is introduced into the Ni system, the mobility of adatoms and islands of all sizes are enhanced. This conclusion suggests that H will function as an anti-surfactant in Ni(100) homoepitaxy.
NASA Technical Reports Server (NTRS)
Lueck, Dale E. (Inventor)
1994-01-01
Payload customers for the Space Shuttle have recently expressed concerns about the possibility of their payloads at an adjacent pad being contaminated by plume effluents from a shuttle at an active pad as they await launch on an inactive pad. As part of a study to satisfy such concerns a ring of inexpensive dosimeters was deployed around the active pad at the inter-pad distance. However, following a launch, dosimeters cannot be read for several hours after the exposure. As a consequence factors such as different substrates, solvent systems, and possible volatilization of HCl from the badges were studied. This observation led to the length of stain (LOS) dosimeters of this invention. Commercial passive LOS dosimeters are sensitive only to the extent of being capable of sensing 2 ppm to 20 ppm if the exposure is 8 hours. To map and quantitate the HCl generated by Shuttle launches, and in the atmosphere within a radius of 1.5 miles from the active pad, a sensitivity of 2 ppm HCl in the atmospheric gases on an exposure of 5 minutes is required. A passive length of stain dosimeter has been developed having a sensitivity rendering it capable of detecting a gas in a concentration as low as 2 ppm on an exposure of five minutes.
Zhachuk, R. A.; Teys, S. A.; Olshanetsky, B. Z.
2011-12-15
The diffusion of strontium atoms on the Si(111) surface at room temperature has been investigated using scanning tunnel microscopy and simulation carried out in terms of the density functional theory and the Monte Carlo method. It has been found that the reconstruction of a clean silicon surface with a 7 Multiplication-Sign 7 structure has a profound effect on the diffusion process. The average velocity of motion of a strontium atom in a unit cell of the 7 Multiplication-Sign 7 structure has been calculated. The main diffusion paths of a strontium atom and the corresponding activation energies have been determined. It has been demonstrated that the formation of scanning tunnel microscope images of the Si(111)-7 Multiplication-Sign 7 surface with adsorbed strontium atoms is significantly affected by the shift of the electron density from the strontium atom to the nearest neighbor silicon adatoms in the 7 Multiplication-Sign 7 structure.
Modelling charge transport lengths in heterojunction solar cells
NASA Astrophysics Data System (ADS)
Musselman, K. P.; Ievskaya, Y.; MacManus-Driscoll, J. L.
2012-12-01
A drift-diffusion model is used to estimate the minority carrier transport length and depletion width in heterojunction solar cells from measured external quantum efficiency (EQE) data. The model is applied to Cu2O-ZnO heterojunctions synthesized by electrodeposition and thermal oxidation, and the electron drift and diffusion lengths are estimated: Ldrift ≈ 110 nm for electrodeposited Cu2O and Ldrift ≈ 2790 nm and Ldiff ≈ 310 nm for thermally oxidized Cu2O. Better fitting of EQE data is obtained than with traditional models that neglect recombination in the depletion region.
Anderson, Robert C.
1976-06-22
1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.
Revealing mesoscopic structural universality with diffusion.
Novikov, Dmitry S; Jensen, Jens H; Helpern, Joseph A; Fieremans, Els
2014-04-01
Measuring molecular diffusion is widely used for characterizing materials and living organisms noninvasively. This characterization relies on relations between macroscopic diffusion metrics and structure at the mesoscopic scale commensurate with the diffusion length. Establishing such relations remains a fundamental challenge, hindering progress in materials science, porous media, and biomedical imaging. Here we show that the dynamical exponent in the time dependence of the diffusion coefficient distinguishes between the universality classes of the mesoscopic structural complexity. Our approach enables the interpretation of diffusion measurements by objectively selecting and modeling the most relevant structural features. As an example, the specific values of the dynamical exponent allow us to identify the relevant mesoscopic structure affecting MRI-measured water diffusion in muscles and in brain, and to elucidate the structural changes behind the decrease of diffusion coefficient in ischemic stroke.
NASA Astrophysics Data System (ADS)
Roehl, Jason L.
Diffusion of point defects on crystalline surfaces and in their bulk is an important and ubiquitous phenomenon affecting film quality, electronic properties and device functionality. A complete understanding of these diffusion processes enables one to predict and then control those processes. Such understanding includes knowledge of the structural, energetic and electronic properties of these native and non-native point defect diffusion processes. Direct experimental observation of the phenomenon is difficult and microscopic theories of diffusion mechanisms and pathways abound. Thus, knowing the nature of diffusion processes, of specific point defects in given materials, has been a challenging task for analytical theory as well as experiment. The recent advances in computing technology have been a catalyst for the rise of a third mode of investigation. The advent of tremendous computing power, breakthroughs in algorithmic development in computational applications of electronic density functional theory now enables direct computation of the diffusion process. This thesis demonstrates such a method applied to several different examples of point defect diffusion on the (001) surface of gallium arsenide (GaAs) and the bulk of cadmium telluride (CdTe) and cadmium sulfide (CdS). All results presented in this work are ab initio, total-energy pseudopotential calculations within the local density approximation to density-functional theory. Single particle wavefunctions were expanded in a plane-wave basis and reciprocal space k-point sampling was achieved by Monkhorst-Pack generated k-point grids. Both surface and bulk computations employed a supercell approach using periodic boundary conditions. Ga adatom adsorption and diffusion processes were studied on two reconstructions of the GaAs(001) surface including the c(4x4) and c(4x4)-heterodimer surface reconstructions. On the GaAs(001)- c(4x4) surface reconstruction, two distinct sets of minima and transition sites were
Fluctuations and discreteness in diffusion limited growth
NASA Astrophysics Data System (ADS)
Devita, Jason P.
This thesis explores the effects of fluctuations and discreteness on the growth of physical systems where diffusion plays an important role. It focuses on three related problems, all dependent on diffusion in a fundamental way, but each with its own unique challenges. With diffusion-limited aggregation (DLA), the relationship between noisy and noise-free Laplacian growth is probed by averaging the results of noisy growth. By doing so in a channel geometry, we are able to compare to known solutions of the noise-free problem. We see that while the two are comparable, there are discrepancies which are not well understood. In molecular beam epitaxy (MBE), we create efficient computational algorithms, by replacing random walkers (diffusing atoms) with approximately equivalent processes. In one case, the atoms are replaced by a continuum field. Solving for the dynamics of the field yields---in an average sense---the dynamics of the atoms. In the other case, the atoms are treated as individual random-walking particles, but the details of the dynamics are changed to an (approximately) equivalent set of dynamics. This approach involves allowing adatoms to take long hops. We see approximately an order of magnitude speed up for simulating island dynamics, mound growth, and Ostwald ripening. Some ideas from the study of MBE are carried over to the study of front propagation in reaction-diffusion systems. Many of the analytic results about front propagation are derived from continuum models. It is unclear, however, that these results accurately describe the properties of a discrete system. It is reasonable to think that discrete systems will converge to the continuum results when sufficiently many particles are included. However, computational evidence of this is difficult to obtain, since the interesting properties tend to depend on a power law of the logarithm of the number of particles. Thus, the number of particles included in simulations must be exceedingly large. By
NASA Astrophysics Data System (ADS)
Umbach, T. R.; Bernien, M.; Hermanns, C. F.; Sun, L. L.; Mohrmann, H.; Hermann, K. E.; Krüger, A.; Krane, N.; Yang, Z.; Nickel, F.; Chang, Y.-M.; Franke, K. J.; Pascual, J. I.; Kuch, W.
2014-06-01
We study the formation of a coordination network consisting of the organic pyridine-based 2,4,6-tris(4-pyridine)-1,3,5-triazine (T4PT) species and Cu atoms on Cu(111) and Ag(111) metal surfaces. Using scanning tunneling microscopy, we find that the organic molecule T4PT forms stable two-dimensional porous networks on the surface of Cu(111) and, by codeposition of Cu atoms, also on the Ag(111) crystal, in which Cu atoms are twofold coordinated by T4PT molecules. X-ray absorption spectroscopy measurements of the metal-organic network Cu-T4PT on Ag(111) accompanied by density-functional theory calculations show that the nitrogen atoms of the pyridine end groups of the T4PT molecules are the active sites in coordinating the Cu adatoms. X-ray magnetic circular dichroism experiments reveal that the Cu atom in such a metal-organic motif is in a low-valent d10 state and has no magnetic moment.
Mazenko, Gene F
2008-09-01
We study the random diffusion model. This is a continuum model for a conserved scalar density field varphi driven by diffusive dynamics. The interesting feature of the dynamics is that the bare diffusion coefficient D is density dependent. In the simplest case, D=D[over ]+D_{1}deltavarphi , where D[over ] is the constant average diffusion constant. In the case where the driving effective Hamiltonian is quadratic, the model can be treated using perturbation theory in terms of the single nonlinear coupling D1 . We develop perturbation theory to fourth order in D1 . The are two ways of analyzing this perturbation theory. In one approach, developed by Kawasaki, at one-loop order one finds mode-coupling theory with an ergodic-nonergodic transition. An alternative more direct interpretation at one-loop order leads to a slowing down as the nonlinear coupling increases. Eventually one hits a critical coupling where the time decay becomes algebraic. Near this critical coupling a weak peak develops at a wave number well above the peak at q=0 associated with the conservation law. The width of this peak in Fourier space decreases with time and can be identified with a characteristic kinetic length which grows with a power law in time. For stronger coupling the system becomes metastable and then unstable. At two-loop order it is shown that the ergodic-nonergodic transition is not supported. It is demonstrated that the critical properties of the direct approach survive, going to higher order in perturbation theory.
Levenson, L.
1963-09-01
A high-vacuum diffusion pump is described, featuring a novel housing geometry for enhancing pumping speed. An upright, cylindrical lower housing portion is surmounted by a concentric, upright, cylindrical upper housing portion of substantially larger diameter; an uppermost nozzle, disposed concentrically within the upper portion, is adapted to eject downwardly a conical sheet of liquid outwardly to impinge upon the uppermost extremity of the interior wall of the lower portion. Preferably this nozzle is mounted upon a pedestal rising coaxially from within the lower portion and projecting up into said upper portion. (AEC)
Codes with Monotonic Codeword Lengths.
ERIC Educational Resources Information Center
Abrahams, Julia
1994-01-01
Discusses the minimum average codeword length coding under the constraint that the codewords are monotonically nondecreasing in length. Bounds on the average length of an optimal monotonic code are derived, and sufficient conditions are given such that algorithms for optimal alphabetic codes can be used to find the optimal monotonic code. (six…
Anomalous diffusion due to obstacles: a Monte Carlo study.
Saxton, M J
1994-01-01
In normal lateral diffusion, the mean-square displacement of the diffusing species is proportional to time. But in disordered systems anomalous diffusion may occur, in which the mean-square displacement is proportional to some other power of time. In the presence of moderate concentrations of obstacles, diffusion is anomalous over short distances and normal over long distances. Monte Carlo calculations are used to characterize anomalous diffusion for obstacle concentrations between zero and the percolation threshold. As the obstacle concentration approaches the percolation threshold, diffusion becomes more anomalous over longer distances; the anomalous diffusion exponent and the crossover length both increase. The crossover length and time show whether anomalous diffusion can be observed in a given experiment. PMID:8161693
Cohen, J.M.; Voter, A.F. , Los Alamos National Laboratory, Los Alamos, New Mexico 87545 )
1989-10-15
Surface self-diffusion constants have been calculated for the single component Lennard-Jones fcc(111) system using the dynamical corrections formalism for transition state theory (TST). At high temperatures, these results are found to be in agreement with previous molecular dynamics calculations. Over the extended temperature range in which this method is valid, deviations from Arrhenius behavior are observed. At lower temperatures, a noticeable contribution to the diffusion constant stems from trajectories in which the adatom recrosses the TST boundary, often due to a direction-reversing collision with the substrate atom on the far side of the binding site. This produces a dip in the dynamical correction factor centered around a reduced temperature of {ital T}=0.038. At higher temperatures, the expected multiple-jump effects are observed.
IMPEDANCE OF FINITE LENGTH RESISTOR
KRINSKY, S.; PODOBEDOV, B.; GLUCKSTERN, R.L.
2005-05-15
We determine the impedance of a cylindrical metal tube (resistor) of radius a, length g, and conductivity {sigma}, attached at each end to perfect conductors of semi-infinite length. Our main interest is in the asymptotic behavior of the impedance at high frequency, k >> 1/a. In the equilibrium regime, , the impedance per unit length is accurately described by the well-known result for an infinite length tube with conductivity {sigma}. In the transient regime, ka{sup 2} >> g, we derive analytic expressions for the impedance and wakefield.
Polyketide chain length control by chain length factor.
Tang, Yi; Tsai, Shiou-Chuan; Khosla, Chaitan
2003-10-22
Bacterial aromatic polyketides are pharmacologically important natural products. A critical parameter that dictates product structure is the carbon chain length of the polyketide backbone. Systematic manipulation of polyketide chain length represents a major unmet challenge in natural product biosynthesis. Polyketide chain elongation is catalyzed by a heterodimeric ketosynthase. In contrast to homodimeric ketosynthases found in fatty acid synthases, the active site cysteine is absent from the one subunit of this heterodimer. The precise role of this catalytically silent subunit has been debated over the past decade. We demonstrate here that this subunit is the primary determinant of polyketide chain length, thereby validating its designation as chain length factor. Using structure-based mutagenesis, we identified key residues in the chain length factor that could be manipulated to convert an octaketide synthase into a decaketide synthase and vice versa. These results should lead to novel strategies for the engineered biosynthesis of hitherto unidentified polyketide scaffolds.
Resolving and measuring diffusion in complex interfaces: Exploring new capabilities
Alam, Todd M.
2015-09-01
This exploratory LDRD targeted the use of a new high resolution spectroscopic diffusion capabilities developed at Sandia to resolve transport processes at interfaces in heterogeneous polymer materials. In particular, the combination of high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) spectroscopy with pulsed field gradient (PFG) diffusion experiments were used to directly explore interface diffusion within heterogeneous polymer composites, including measuring diffusion for individual chemical species in multi-component mixtures. Several different types of heterogeneous polymer systems were studied using these HRMAS NMR diffusion capabilities to probe the resolution limitations, determine the spatial length scales involved, and explore the general applicability to specific heterogeneous systems. The investigations pursued included a) the direct measurement of the diffusion for poly(dimethyl siloxane) polymer (PDMS) on nano-porous materials, b) measurement of penetrant diffusion in additive manufactures (3D printed) processed PDMS composites, and c) the measurement of diffusion in swollen polymers/penetrant mixtures within nano-confined aluminum oxide membranes. The NMR diffusion results obtained were encouraging and allowed for an improved understanding of diffusion and transport processes at the molecular level, while at the same time demonstrating that the spatial heterogeneity that can be resolved using HRMAS NMR PFG diffusion experiment must be larger than ~μm length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.
Line Lengths and Starch Scores.
ERIC Educational Resources Information Center
Moriarty, Sandra E.
1986-01-01
Investigates readability of different line lengths in advertising body copy, hypothesizing a normal curve with lower scores for shorter and longer lines, and scores above the mean for lines in the middle of the distribution. Finds support for lower scores for short lines and some evidence of two optimum line lengths rather than one. (SKC)
Ludington, William B.; Ishikawa, Hiroaki; Serebrenik, Yevgeniy V.; Ritter, Alex; Hernandez-Lopez, Rogelio A.; Gunzenhauser, Julia; Kannegaard, Elisa; Marshall, Wallace F.
2015-01-01
Cells control organelle size with great precision and accuracy to maintain optimal physiology, but the mechanisms by which they do so are largely unknown. Cilia and flagella are simple organelles in which a single measurement, length, can represent size. Maintenance of flagellar length requires an active transport process known as intraflagellar transport, and previous measurements suggest that a length-dependent feedback regulates intraflagellar transport. But the question remains: how is a length-dependent signal produced to regulate intraflagellar transport appropriately? Several conceptual models have been suggested, but testing these models quantitatively requires that they be cast in mathematical form. Here, we derive a set of mathematical models that represent the main broad classes of hypothetical size-control mechanisms currently under consideration. We use these models to predict the relation between length and intraflagellar transport, and then compare the predicted relations for each model with experimental data. We find that three models—an initial bolus formation model, an ion current model, and a diffusion-based model—show particularly good agreement with available experimental data. The initial bolus and ion current models give mathematically equivalent predictions for length control, but fluorescence recovery after photobleaching experiments rule out the initial bolus model, suggesting that either the ion current model or a diffusion-based model is more likely correct. The general biophysical principles of the ion current and diffusion-based models presented here to measure cilia and flagellar length can be generalized to measure any membrane-bound organelle volume, such as the nucleus and endoplasmic reticulum. PMID:25809250
Ludington, William B; Ishikawa, Hiroaki; Serebrenik, Yevgeniy V; Ritter, Alex; Hernandez-Lopez, Rogelio A; Gunzenhauser, Julia; Kannegaard, Elisa; Marshall, Wallace F
2015-03-24
Cells control organelle size with great precision and accuracy to maintain optimal physiology, but the mechanisms by which they do so are largely unknown. Cilia and flagella are simple organelles in which a single measurement, length, can represent size. Maintenance of flagellar length requires an active transport process known as intraflagellar transport, and previous measurements suggest that a length-dependent feedback regulates intraflagellar transport. But the question remains: how is a length-dependent signal produced to regulate intraflagellar transport appropriately? Several conceptual models have been suggested, but testing these models quantitatively requires that they be cast in mathematical form. Here, we derive a set of mathematical models that represent the main broad classes of hypothetical size-control mechanisms currently under consideration. We use these models to predict the relation between length and intraflagellar transport, and then compare the predicted relations for each model with experimental data. We find that three models-an initial bolus formation model, an ion current model, and a diffusion-based model-show particularly good agreement with available experimental data. The initial bolus and ion current models give mathematically equivalent predictions for length control, but fluorescence recovery after photobleaching experiments rule out the initial bolus model, suggesting that either the ion current model or a diffusion-based model is more likely correct. The general biophysical principles of the ion current and diffusion-based models presented here to measure cilia and flagellar length can be generalized to measure any membrane-bound organelle volume, such as the nucleus and endoplasmic reticulum.
National Institute of Standards and Technology Data Gateway
NIST Diffusion Data Center (Web, free access) The NIST Diffusion Data Center is a collection of over 14,100 international papers, theses, and government reports on diffusion published before 1980.
Parallel flow diffusion battery
Yeh, H.C.; Cheng, Y.S.
1984-01-01
A parallel flow diffusion battery for determining the mass distribution of an aerosol has a plurality of diffusion cells mounted in parallel to an aerosol stream, each diffusion cell including a stack of mesh wire screens of different density.
Parallel flow diffusion battery
Yeh, Hsu-Chi; Cheng, Yung-Sung
1984-08-07
A parallel flow diffusion battery for determining the mass distribution of an aerosol has a plurality of diffusion cells mounted in parallel to an aerosol stream, each diffusion cell including a stack of mesh wire screens of different density.
Numerical analysis of a vortex controlled diffuser
NASA Technical Reports Server (NTRS)
Spall, Robert E.
1993-01-01
A numerical study of a prototypical vortex controlled diffuser is performed. The basic diffuser geometry consists of a step expansion in a pipe of area ratio 2.25:1. The incompressible Reynolds averaged Navier-Stokes equations, employing the K-epsilon turbulence model, are solved. Results are presented for bleed rates ranging from 1 to 7 percent. Diffuser efficiencies in excess of 80 percent are obtained. Reattachment lengths are reduced by a factor of up to 3. These results are in qualitative agreement with previous experimental work. However, differences in some basic details of experimentally observed and the present numerically generated flowfields exist. The effect of swirl is also investigated.
Diffusing Diffusivity: A Model for Anomalous, yet Brownian, Diffusion
NASA Astrophysics Data System (ADS)
Chubynsky, Mykyta V.; Slater, Gary W.
2014-08-01
Wang et al. [Proc. Natl. Acad. Sci. U.S.A. 106, 15160 (2009)] have found that in several systems the linear time dependence of the mean-square displacement (MSD) of diffusing colloidal particles, typical of normal diffusion, is accompanied by a non-Gaussian displacement distribution G(x ,t), with roughly exponential tails at short times, a situation they termed "anomalous yet Brownian" diffusion. The diversity of systems in which this is observed calls for a generic model. We present such a model where there is diffusivity memory but no direction memory in the particle trajectory, and we show that it leads to both a linear MSD and a non-Gaussian G(x ,t) at short times. In our model, the diffusivity is undergoing a (perhaps biased) random walk, hence the expression "diffusing diffusivity". G(x ,t) is predicted to be exactly exponential at short times if the distribution of diffusivities is itself exponential, but an exponential remains a good fit for a variety of diffusivity distributions. Moreover, our generic model can be modified to produce subdiffusion.
NASA Astrophysics Data System (ADS)
Shtapenko, E. Ph.; Zabludovsky, V. A.; Dudkina, V. V.
2015-03-01
In this paper, we present the results of experimental investigations of the diffusion layer formed at the film-substrate interface upon the electrodeposition of zinc films on a copper substrate. The investigations have shown that, in the transient layer, the deposited metal is diffused into the material of the substrate. The depth of the diffusion layer and, consequently, the concentrations of the incorporated zinc atoms depend strongly on the conditions of electrocrystallization, which vary from 1.5 μm when using direct current to 4 μm when using direct current in combination with laser-stimulated deposition (LSD). The X-ray diffraction investigations of the transient layer at the film-substrate interface have shown that, upon electrocrystallization using pulsed current in rigid regimes with the application of the LSD, a CuZn2 phase is formed in the diffusion layer. This indicates that the diffusion of zinc into copper occurs via two mechanisms, i.e., grainboundary and bulk. The obtained values of the coefficient of diffusion of zinc adatoms in polycrystalline copper are equal to 1.75 × 10-15 m2/s when using direct current and 1.74 × 10-13 m2/s when using LSD.
Atomic-scale mechanisms for diffusion of impurities in transition-metal nitrides
Tsetseris, Leonidas; Logothetidis, S.; Pantelides, Sokrates T
2010-03-01
We use results from first-principles calculations based on density-functional theory to evaluate the performance of ZrN, HfN, and TiN as diffusion barrier materials. We examine primarily migration of Cu impurities through the bulk or through inter-grain voids of nitride films and we elucidate the conditions that favor moderate diffusion in the former case and very rapid migration in the latter. Migration activation energies for Cu interstitials in the bulk of the materials lie in the range of 0.9-1.4 eV, while the corresponding values for surface diffusion of Cu adatoms vary between 0.1 and 0.55 eV. Based on the agreement between the calculated activation energies and available measured values we resolve previous conflicting suggestions that were used to interpret various experimental data. Overall, our findings highlight the role of native point defects, impurities, and film texture on the performance of nitride diffusion barrier materials. (C) 2009 Elsevier B.V. All rights reserved.
Definition of Magnetic Exchange Length
Abo, GS; Hong, YK; Park, J; Lee, J; Lee, W; Choi, BC
2013-08-01
The magnetostatic exchange length is an important parameter in magnetics as it measures the relative strength of exchange and self-magnetostatic energies. Its use can be found in areas of magnetics including micromagnetics, soft and hard magnetic materials, and information storage. The exchange length is of primary importance because it governs the width of the transition between magnetic domains. Unfortunately, there is some confusion in the literature between the magnetostatic exchange length and a similar distance concerning magnetization reversal mechanisms in particles known as the characteristic length. This confusion is aggravated by the common usage of two different systems of units, SI and cgs. This paper attempts to clarify the situation and recommends equations in both systems of units.
Diffusion in solid-Earth systems
NASA Astrophysics Data System (ADS)
Watson, E. Bruce; Baxter, Ethan F.
2007-01-01
Recent years have seen a rapid expansion in the acquisition and use of information on diffusive transport in phases relevant to the solid Earth (crystals, melts and fluids). Although far from complete, the data base on diffusion coefficients is now sufficiently large that broad constraints can be placed upon the length- and time scales of many natural transport phenomena in which diffusion plays a role. Conversely, observations of diffusion progress in specific natural samples can be used to extract time-temperature information for a variety of geologic and geochemical processes, ranging from sediment burial and crustal erosion to fluid-mediated reactions and biosignature retention. Despite this undeniable progress, several major challenges remain that largely define the frontiers of research in solid-Earth diffusion. Perhaps foremost among these is the need to address and understand the multi-scale, multi-path aspects of diffusion in many systems—a complication that is not limited to polyphase materials (individual mineral grains can exhibit clear indications of multi-path behavior even when visible evidence of such paths is lacking). Many other diffusion frontiers are linked in one way or another to this multi-scale issue; they include: diffusion of molecular H 2O and the effect of H species on diffusion in minerals and rocks; diffusive fractionation of multiple isotopes of a single element; diffusion at the extreme conditions of the deep Earth; reconciliation of observations from natural samples and laboratory studies; and development of theoretical approaches to 'predict' diffusion behavior in regions inaccessible to observation.
Persistence Length of Stable Microtubules
NASA Astrophysics Data System (ADS)
Hawkins, Taviare; Mirigian, Matthew; Yasar, M. Selcuk; Ross, Jennifer
2011-03-01
Microtubules are a vital component of the cytoskeleton. As the most rigid of the cytoskeleton filaments, they give shape and support to the cell. They are also essential for intracellular traffic by providing the roadways onto which organelles are transported, and they are required to reorganize during cellular division. To perform its function in the cell, the microtubule must be rigid yet dynamic. We are interested in how the mechanical properties of stable microtubules change over time. Some ``stable'' microtubules of the cell are recycled after days, such as in the axons of neurons or the cilia and flagella. We measured the persistence length of freely fluctuating taxol-stabilized microtubules over the span of a week and analyzed them via Fourier decomposition. As measured on a daily basis, the persistence length is independent of the contour length. Although measured over the span of the week, the accuracy of the measurement and the persistence length varies. We also studied how fluorescently-labeling the microtubule affects the persistence length and observed that a higher labeling ratio corresponded to greater flexibility. National Science Foundation Grant No: 0928540 to JLR.
When Does Length Cause the Word Length Effect?
ERIC Educational Resources Information Center
Jalbert, Annie; Neath, Ian; Bireta, Tamra J.; Surprenant, Aimee M.
2011-01-01
The word length effect, the finding that lists of short words are better recalled than lists of long words, has been termed one of the benchmark findings that any theory of immediate memory must account for. Indeed, the effect led directly to the development of working memory and the phonological loop, and it is viewed as the best remaining…
Length-Scale Dependent Viscosity in Semidilute Polyelectrolyte Solutions
NASA Astrophysics Data System (ADS)
Poling-Skutvik, Ryan; Krishnamoorti, Ramanan; Conrad, Jacinta
2015-03-01
Using optical microscopy and particle tracking algorithms, we measured the mean-squared displacements (MSDs) of fluorescent polystyrene particles with diameters ranging from 300 nm to 2 μm suspended in semidilute solutions of high molecular weight partially hydrolyzed polyacrylamide. The solutions had polymer concentrations ranging from 0.67 to 67c*, where c* is the overlap concentration, and estimated correlation lengths of ~ 100 to 900 nm. At short times, the particles exhibited subdiffusive behavior characterized by MSD ~tα with α < 1 . On long time scales, the particles transitioned to Fickian diffusion (α = 1) and their diffusivity was calculated from the slope of the MSD. Whereas the large particles agreed with predictions using the Stokes-Einstein equation and bulk zero-shear viscosity, the smaller particles diffused much faster than predicted. The relative diffusivities do not collapse onto a single curve, but rather form a continuum that varies with particle size. This indicates that the particles experience a size-dependent effective viscosity mediated by the ratio of particle diameter to characteristic length scales in the polymer solution.
Continuously variable focal length lens
Adams, Bernhard W; Chollet, Matthieu C
2013-12-17
A material preferably in crystal form having a low atomic number such as beryllium (Z=4) provides for the focusing of x-rays in a continuously variable manner. The material is provided with plural spaced curvilinear, optically matched slots and/or recesses through which an x-ray beam is directed. The focal length of the material may be decreased or increased by increasing or decreasing, respectively, the number of slots (or recesses) through which the x-ray beam is directed, while fine tuning of the focal length is accomplished by rotation of the material so as to change the path length of the x-ray beam through the aligned cylindrical slows. X-ray analysis of a fixed point in a solid material may be performed by scanning the energy of the x-ray beam while rotating the material to maintain the beam's focal point at a fixed point in the specimen undergoing analysis.
Continuous lengths of oxide superconductors
Kroeger, Donald M.; List, III, Frederick A.
2000-01-01
A layered oxide superconductor prepared by depositing a superconductor precursor powder on a continuous length of a first substrate ribbon. A continuous length of a second substrate ribbon is overlaid on the first substrate ribbon. Sufficient pressure is applied to form a bound layered superconductor precursor powder between the first substrate ribbon and the second substrate ribbon. The layered superconductor precursor is then heat treated to establish the oxide superconducting phase. The layered oxide superconductor has a smooth interface between the substrate and the oxide superconductor.
Overview of bunch length measurements.
Lumpkin, A. H.
1999-02-19
An overview of particle and photon beam bunch length measurements is presented in the context of free-electron laser (FEL) challenges. Particle-beam peak current is a critical factor in obtaining adequate FEL gain for both oscillators and self-amplified spontaneous emission (SASE) devices. Since measurement of charge is a standard measurement, the bunch length becomes the key issue for ultrashort bunches. Both time-domain and frequency-domain techniques are presented in the context of using electromagnetic radiation over eight orders of magnitude in wavelength. In addition, the measurement of microbunching in a micropulse is addressed.
Lequin, Sonia; Chassagne, David; Karbowiak, Thomas; Simon, Jean-Marc; Paulin, Christian; Bellat, Jean-Pierre
2012-04-01
This work reports measurements of effective oxygen diffusion coefficient in raw cork. Kinetics of oxygen transfer through cork is studied at 298 K thanks to a homemade manometric device composed of two gas compartments separated by a cork wafer sample. The first compartment contains oxygen, whereas the second one is kept under dynamic vacuum. The pressure decrease in the first compartment is recorded as a function of time. The effective diffusion coefficient D(eff) is obtained by applying Fick's law to transient state using a numerical method based on finite differences. An analytical model derived from Fick's law applied to steady state is also proposed. Results given by these two methods are in close agreement with each other. The harmonic average of the effective diffusion coefficients obtained from the distribution of 15 cork wafers of 3 mm thickness is 1.1 × 10(-9) m(2) s(-1) with a large distribution over four decades. The statistical analysis of the Gaussian distribution obtained on a 3 mm cork wafer is extrapolated to a 48 mm cork wafer, which length corresponds to a full cork stopper. In this case, the probability density distribution gives a mean value of D(eff) equal to 1.6 × 10(-9) m(2) s(-1). This result shows that it is possible to obtain the effective diffusion coefficient of oxygen through cork from short time (few days) measurements performed on a thin cork wafer, whereas months are required to obtain the diffusion coefficient for a full cork stopper. Permeability and oxygen transfer rate are also calculated for comparison with data from other studies.
Microfabricated diffusion source
Oborny, Michael C.; Frye-Mason, Gregory C.; Manginell, Ronald P.
2008-07-15
A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.
Finite length Taylor Couette flow
NASA Technical Reports Server (NTRS)
Streett, C. L.; Hussaini, M. Y.
1987-01-01
Axisymmetric numerical solutions of the unsteady Navier-Stokes equations for flow between concentric rotating cylinders of finite length are obtained by a spectral collocation method. These representative results pertain to two-cell/one-cell exchange process, and are compared with recent experiments.
Incubation length of dabbling ducks
Wells-Berlin, A. M.; Prince, H.H.; Arnold, T.W.
2005-01-01
We collected unincubated eggs from wild Mallard (Anas platyrhynchos), Gadwall (A. strepera), Blue-winged Teal (A. discors), and Northern Shoveler (A. clypeata) nests and artificially incubated them at 37.5??C. Average incubation lengths of Mallard, Gadwall, and Northern Shoveler eggs did not differ from their wild-nesting counterparts, but artificially incubated Blue-winged Teal eggs required an additional 1.7 days to hatch, suggesting that wild-nesting teal incubated more effectively. A small sample of Mallard, Gadwall, and Northern Shoveler eggs artificially incubated at 38.3??C hatched 1 day sooner, indicating that incubation temperature affected incubation length. Mean incubation length of Blue-winged Teal declined by 1 day for each 11-day delay in nesting, but we found no such seasonal decline among Mallards, Gadwalls, or Northern Shovelers. There is no obvious explanation for the seasonal reduction in incubation length for Blue-winged Teal eggs incubated in a constant environment, and the phenomenon deserves further study. ?? The Cooper Ornithological Society 2005.
Critical waves and the length problem of biology
Laughlin, Robert B.
2015-01-01
It is pointed out that the mystery of how biological systems measure their lengths vanishes away if one premises that they have discovered a way to generate linear waves analogous to compressional sound. These can be used to detect length at either large or small scales using echo timing and fringe counting. It is shown that suitable linear chemical potential waves can, in fact, be manufactured by tuning to criticality conventional reaction–diffusion with a small number substance. Min oscillations in Escherichia coli are cited as precedent resonant length measurement using chemical potential waves analogous to laser detection. Mitotic structures in eukaryotes are identified as candidates for such an effect at higher frequency. The engineering principle is shown to be very general and functionally the same as that used by hearing organs. PMID:26240329
Hydrodynamic length-scale selection in microswimmer suspensions
NASA Astrophysics Data System (ADS)
Heidenreich, Sebastian; Dunkel, Jörn; Klapp, Sabine H. L.; Bär, Markus
2016-08-01
A universal characteristic of mesoscale turbulence in active suspensions is the emergence of a typical vortex length scale, distinctly different from the scale invariance of turbulent high-Reynolds number flows. Collective length-scale selection has been observed in bacterial fluids, endothelial tissue, and active colloids, yet the physical origins of this phenomenon remain elusive. Here, we systematically derive an effective fourth-order field theory from a generic microscopic model that allows us to predict the typical vortex size in microswimmer suspensions. Building on a self-consistent closure condition, the derivation shows that the vortex length scale is determined by the competition between local alignment forces, rotational diffusion, and intermediate-range hydrodynamic interactions. Vortex structures found in simulations of the theory agree with recent measurements in Bacillus subtilis suspensions. Moreover, our approach yields an effective viscosity enhancement (reduction), as reported experimentally for puller (pusher) microorganisms.
Hydrodynamic length-scale selection in microswimmer suspensions.
Heidenreich, Sebastian; Dunkel, Jörn; Klapp, Sabine H L; Bär, Markus
2016-08-01
A universal characteristic of mesoscale turbulence in active suspensions is the emergence of a typical vortex length scale, distinctly different from the scale invariance of turbulent high-Reynolds number flows. Collective length-scale selection has been observed in bacterial fluids, endothelial tissue, and active colloids, yet the physical origins of this phenomenon remain elusive. Here, we systematically derive an effective fourth-order field theory from a generic microscopic model that allows us to predict the typical vortex size in microswimmer suspensions. Building on a self-consistent closure condition, the derivation shows that the vortex length scale is determined by the competition between local alignment forces, rotational diffusion, and intermediate-range hydrodynamic interactions. Vortex structures found in simulations of the theory agree with recent measurements in Bacillus subtilis suspensions. Moreover, our approach yields an effective viscosity enhancement (reduction), as reported experimentally for puller (pusher) microorganisms. PMID:27627229
Seismic Hazard and Fault Length
NASA Astrophysics Data System (ADS)
Black, N. M.; Jackson, D. D.; Mualchin, L.
2005-12-01
If mx is the largest earthquake magnitude that can occur on a fault, then what is mp, the largest magnitude that should be expected during the planned lifetime of a particular structure? Most approaches to these questions rely on an estimate of the Maximum Credible Earthquake, obtained by regression (e.g. Wells and Coppersmith, 1994) of fault length (or area) and magnitude. Our work differs in two ways. First, we modify the traditional approach to measuring fault length, to allow for hidden fault complexity and multi-fault rupture. Second, we use a magnitude-frequency relationship to calculate the largest magnitude expected to occur within a given time interval. Often fault length is poorly defined and multiple faults rupture together in a single event. Therefore, we need to expand the definition of a mapped fault length to obtain a more accurate estimate of the maximum magnitude. In previous work, we compared fault length vs. rupture length for post-1975 earthquakes in Southern California. In this study, we found that mapped fault length and rupture length are often unequal, and in several cases rupture broke beyond the previously mapped fault traces. To expand the geologic definition of fault length we outlined several guidelines: 1) if a fault truncates at young Quaternary alluvium, the fault line should be inferred underneath the younger sediments 2) faults striking within 45° of one another should be treated as a continuous fault line and 3) a step-over can link together faults at least 5 km apart. These definitions were applied to fault lines in Southern California. For example, many of the along-strike faults lines in the Mojave Desert are treated as a single fault trending from the Pinto Mountain to the Garlock fault. In addition, the Rose Canyon and Newport-Inglewood faults are treated as a single fault line. We used these more generous fault lengths, and the Wells and Coppersmith regression, to estimate the maximum magnitude (mx) for the major faults in
Wu, Yu-Chien; Alexander, Andrew L.
2007-01-01
Diffusion measurements in the human central nervous system are complex to characterize and a broad spectrum of methods have been proposed. In this study, a comprehensive diffusion encoding and analysis approach, Hybrid Diffusion Imaging (HYDI), is described. The HYDI encoding scheme is composed of multiple concentric “shells” of constant diffusion-weighting, which may be used to characterize the signal behavior with low, moderate and high diffusion-weighting. HYDI facilitates the application of multiple data-analyses strategies including diffusion tensor imaging (DTI), multi-exponential diffusion measurements, diffusion spectrum imaging (DSI) and q-ball imaging (QBI). These different analysis strategies may provide complementary information. DTI measures (mean diffusivity and fractional anisotropy) may be estimated from either data in the inner shells or the entire HYDI data. Fast and slow diffusivities were estimated using a nonlinear least-squares bi-exponential fit on geometric means of the HYDI shells. DSI measurements from the entire HYDI data yield empirical model-independent diffusion information and are well-suited for characterizing tissue regions with complex diffusion behavior. DSI measurements were characterized using the zero displacement probability and the mean squared displacement. The outermost HYDI shell was analyzed using QBI analysis to estimate the orientation distribution function (ODF), which is useful for characterizing the directions of multiple fiber groups within a voxel. In this study, a HYDI encoding scheme with 102 diffusion-weighted measurements was obtained over most of the human cerebrum in under 30 minutes. PMID:17481920
Characteristic lengths affecting evaporative drying of porous media.
Lehmann, Peter; Assouline, Shmuel; Or, Dani
2008-05-01
Evaporation from porous media involves mass and energy transport including phase change, vapor diffusion, and liquid flow, resulting in complex displacement patterns affecting drying rates. Force balance considering media properties yields characteristic lengths affecting the transition in the evaporation rate from a liquid-flow-based first stage limited only by vapor exchange with air to a second stage controlled by vapor diffusion through the medium. The characteristic lengths determine the extent of the hydraulically connected region between the receding drying front and evaporating surface (film region) and the onset of flow rate limitations through this film region. Water is displaced from large pores at the receding drying front to supply evaporation from hydraulically connected finer pores at the surface. Liquid flow is driven by a capillary pressure gradient spanned by the width of the pore size distribution and is sustained as long as the capillary gradient remains larger than gravitational forces and viscous dissipation. The maximum extent of the film region sustaining liquid flow is determined by a characteristic length L_{C} combining the gravity characteristic length L_{G} and viscous dissipation characteristic length L_{V} . We used two sands with particle sizes 0.1-0.5 mm ("fine") and 0.3-0.9 mm ("coarse") to measure the evaporation from columns of different lengths under various atmospheric evaporative demands. The value of L_{G} determined from capillary pressure-saturation relationships was 90 mm for the coarse sand and 140 mm for the fine sand. A significant decrease in drying rate occurred when the drying front reached the predicted L_{G} value (viscous dissipation was negligibly small in sand and L_{C} approximately L_{G} ). The approach enables a prediction of the duration of first-stage evaporation with the highest water losses from soil to the atmosphere. PMID:18643163
Diffusion bonding aeroengine components
NASA Astrophysics Data System (ADS)
Fitzpatrick, G. A.; Broughton, T.
1988-10-01
The use of diffusion bonding processes at Rolls-Royce for the manufacture of titanium-alloy aircraft engine components and structures is described. A liquid-phase diffusion bonding process called activated diffusion bonding has been developed for the manufacture of the hollow titanium wide chord fan blade. In addition, solid-state diffusion bonding is being used in the manufacture of hollow vane/blade airfoil constructions mainly in conjunction with superplastic forming and hot forming techniques.
Updating applied diffusion models
Weil, J.C.
1985-11-01
Most diffusion models currently used in air quality applications are substantially out of date with understanding of turbulence and diffusion in the planetary boundary layer. Under a Cooperative Agreement with the Environmental Protection Agency, the American Meteorological Society organized a workshop to help improve the basis of such models, their physics and hopefuly their performance. Reviews and recommendations were made on models in three areas: diffusion in the convective boundary layer (CBL), diffusion in the stabe boundary layer (SBL), and model uncertainty.
ERIC Educational Resources Information Center
McCutcheon, James R.; Sanders, John R.
A methodology is presented for planning and managing the spread of educational innovations. The first portion of the guide develops a theoretical framework for diffusion which summarizes and capitalizes on the latest marketing and on the latest marketing and diffusion research findings. Major stages in the diffusion paradigm discussed include…
Reduce Confusion about Diffusion.
ERIC Educational Resources Information Center
Hebrank, Mary R.
1997-01-01
Presents activities that allow students to explore the fundamental but poorly understood concept of diffusion by appealing to their kinesthetic senses first, then challenging their analytical skills as they try to deduce the mathematical principle involved. Presents a computer simulation of diffusion and discusses diffusion's limitations and…
Handbook on atmospheric diffusion
Hanna, S.R.; Briggs, G.A.; Hosker, R.P. Jr.
1982-01-01
Basic meteorological concepts are covered as well as plume rise, source effects, and diffusion models. Chapters are included on cooling tower plumes and urban diffusion. Suggestions are given for calculating diffusion in special situations, such as for instantaneous releases over complex terrain, over long distances, and during times when chemical reactions or dry or wet deposition are important. (PSB)
Welding arc length control system
NASA Technical Reports Server (NTRS)
Iceland, William F. (Inventor)
1993-01-01
The present invention is a welding arc length control system. The system includes, in its broadest aspects, a power source for providing welding current, a power amplification system, a motorized welding torch assembly connected to the power amplification system, a computer, and current pick up means. The computer is connected to the power amplification system for storing and processing arc weld current parameters and non-linear voltage-ampere characteristics. The current pick up means is connected to the power source and to the welding torch assembly for providing weld current data to the computer. Thus, the desired arc length is maintained as the welding current is varied during operation, maintaining consistent weld penetration.
Variable focal length deformable mirror
Headley, Daniel; Ramsey, Marc; Schwarz, Jens
2007-06-12
A variable focal length deformable mirror has an inner ring and an outer ring that simply support and push axially on opposite sides of a mirror plate. The resulting variable clamping force deforms the mirror plate to provide a parabolic mirror shape. The rings are parallel planar sections of a single paraboloid and can provide an on-axis focus, if the rings are circular, or an off-axis focus, if the rings are elliptical. The focal length of the deformable mirror can be varied by changing the variable clamping force. The deformable mirror can generally be used in any application requiring the focusing or defocusing of light, including with both coherent and incoherent light sources.
Softness Correlations Across Length Scales
NASA Astrophysics Data System (ADS)
Ivancic, Robert; Shavit, Amit; Rieser, Jennifer; Schoenholz, Samuel; Cubuk, Ekin; Durian, Douglas; Liu, Andrea; Riggleman, Robert
In disordered systems, it is believed that mechanical failure begins with localized particle rearrangements. Recently, a machine learning method has been introduced to identify how likely a particle is to rearrange given its local structural environment, quantified by softness. We calculate the softness of particles in simulations of atomic Lennard-Jones mixtures, molecular Lennard-Jones oligomers, colloidal systems and granular systems. In each case, we find that the length scale characterizing spatial correlations of softness is approximately a particle diameter. These results provide a rationale for why localized rearrangements--whose size is presumably set by the scale of softness correlations--might occur in disordered systems across many length scales. Supported by DOE DE-FG02-05ER46199.
Hospitalization length of insanity acquittees.
Steadman, H J; Pasewark, R A; Hawkins, M; Kiser, M; Bieber, S
1983-07-01
Used step-wise multiple regression procedures to predict length of hospitalization of 225 defendants acquitted by reason of insanity in New York state. Of the 21 variables considered, only 9 (severity of offense, sex, marital status, days prior imprisonment, homicide offense, days previous civil hospitalization, educational level, race, number of victims) contributed to the significance of the regression equation. However, these accounted for but 11% of the observed variance.
Single-file diffusion near channel boundaries.
Vasenkov, Sergey; Schüring, Andreas; Fritzsche, Siegfried
2006-06-20
Molecular transport under the conditions of single-file diffusion was investigated near the channel boundaries by using dynamic Monte Carlo and molecular dynamics simulations of tracer exchange between single-file channels and their surroundings. The boundary effect reported in our recent papers (Vasenkov S.; Kärger, J. Phys. Rev. E 2002, 66, 052601. Schüring, A.; Vasenkov S.; Fritzsche, S. J. Phys. Chem. B 2005, 109, 16711) was studied in detail. This boundary effect is characterized by deviations of the intrachannel concentration profiles of tracer molecules observed in the case of single-file diffusion near the channel boundaries from the corresponding profiles typical for normal diffusion. It has been shown in our previous studies that these deviations occur under the conditions when the potential-energy difference inside and outside of single-file channels was both comparable and much larger than the activation energy of intrachannel diffusion. Here, we report a quantitative model describing the boundary effect. According to this model, an occurrence of the boundary effect is related to a complex character of diffusion in finite single-file systems. Such diffusion can be described by the following two types of movements occurring in parallel: (i) correlated displacements of all molecules in any particular channel and (ii) fast displacements of single molecules, which are uncorrelated with the displacements of all other molecules in the same channel. The latter displacements are restricted to a certain length interval that depends on the channel length and the channel occupancy. This length interval is shown to determine the extensions of the channel margins where the boundary effect is observed.
Universality of modulation length exponents
NASA Astrophysics Data System (ADS)
Chakrabarty, Saurish; Seidel, Alexander; Nussinov, Zohar
2012-02-01
We study systems (classical or quantum) with general pairwise interactions. Our prime interest is in frustrated spin systems. First, we focus on systems with a crossover temperature T^* across which the correlation function changes from exhibiting commensurate to incommensurate modulations. We report on a new exponent, νL, characterizing the universal nature of this crossover. Near the crossover, the characteristic wave-vector k on the incommensurate side differs from that on the commensurate side, q by |k-q||T-T^*|^νL. We find, in general, that νL=1/2, or in some special cases, other rational numbers. We discuss applications to the axial next nearest neighbor Ising model, Fermi systems (with application to the metal to band insulator transition) and Bose systems. Second, we obtain a universal form of the high temperature correlation function in general systems. From this, we show the existence of a diverging correlation length in the presence of long range interactions. Such a correlation length tends to the screening length in the presence of screening. We also find a way of obtaining the pairwise interaction potentials in the high temperature phase from the correlation functions.
Generalized Drift-Diffusion Model In Semiconductors
Mesbah, S.; Bendib-Kalache, K.; Bendib, A.
2008-09-23
A new drift-diffusion model is proposed based on the computation of the stationary nonlocal current density. The semi classical Boltzmann equation is solved keeping all the anisotropies of the distribution function with the use of the continued fractions. The conductivity is calculated in the linear approximation and for arbitrary collision frequency with respect to Kv{sub t} where K{sup -1} is the characteristic length scale of the system and V{sub t} is the thermal velocity. The nonlocal conductivity can be used to close the generalized drift-diffusion equations valid for arbitrary collisionality.
Fibreoptic diffuse-light irradiators of biological tissues
Volkov, Vladimir V; Loshchenov, V B; Konov, Vitalii I; Kononenko, Vitalii V
2010-10-15
We report techniques for the fabrication of laser radiation diffusers for interstitial photodynamic therapy. Using chemical etching of the distal end of silica fibre with a core diameter of 200 - 600 {mu}m, we have obtained long (up to 40 mm) diffusers with good scattering uniformity. Laser ablation has been used to produce cylindrical diffusers with high emission contrast and a scattering uniformity no worse than {approx}10 % in their middle part. The maximum length of the diffusers produced by this method is 20 - 25 mm. (laser applications and other topics in quantum electronics)
Simulations of singlet exciton diffusion in organic semiconductors: a review
Bjorgaard, Josiah A.; Kose, Muhammet Erkan
2014-12-22
Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulation results with those of experiment.
Radon Diffusion Measurement in Polyethylene based on Alpha Detection
Rau, Wolfgang
2011-04-27
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.
Length dependence of carbon nanotube thermal conductivity and the "problem of long waves"
NASA Technical Reports Server (NTRS)
Mingo, N.; Broido, D. A.
2005-01-01
We present the first calculations of finite length carbon nanotube thermal conductivity that extend from the ballistic to the diffusive regime, throughout a very wide range of lengths and temperatures. The long standing problem of vanishing scattering of the "long wavelength phonf dramatically here, making the thermal conductivity diverge as the nanotube length increases. We show that the divergence disappears if 3-phonon scattering processes are considered to second or higher order. Nevertheless, for defect free nanotubes, the thermal conductivity keeps increasing up to very large lengths (10 gm at 300 K). Defects in the nanotube are also able to remove the long wavelength divergence.
Path length enhancement in disordered media for increased absorption.
Mupparapu, Rajeshkumar; Vynck, Kevin; Svensson, Tomas; Burresi, Matteo; Wiersma, Diederik S
2015-11-30
We theoretically and numerically investigate the capability of disordered media to enhance the optical path length in dielectric slabs and augment their light absorption efficiency due to scattering. We first perform a series of Monte Carlo simulations of random walks to determine the path length distribution in weakly to strongly (single to multiple) scattering, non-absorbing dielectric slabs under normally incident light and derive analytical expressions for the path length enhancement in these two limits. Quite interestingly, while multiple scattering is expected to produce long optical paths, we find that media containing a vanishingly small amount of scatterers can still provide high path length enhancements due to the very long trajectories sustained by total internal reflection at the slab interfaces. The path length distributions are then used to calculate the light absorption efficiency of media with varying absorption coefficients. We find that maximum absorption enhancement is obtained at an optimal scattering strength, in-between the single-scattering and the diffusive (strong multiple-scattering) regimes. This study can guide experimentalists towards more efficient and potentially low-cost solutions in photovoltaic technologies.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.; Watson, E. B.
2010-09-01
Diffusion of Li under anhydrous conditions at 1 atm and under fluid-present elevated pressure (1.0-1.2 GPa) conditions has been measured in natural zircon. The source of diffusant for 1-atm experiments was ground natural spodumene, which was sealed under vacuum in silica glass capsules with polished slabs of zircon. An experiment using a Dy-bearing source was also conducted to evaluate possible rate-limiting effects on Li diffusion of slow-diffusing REE+3 that might provide charge balance. Diffusion experiments performed in the presence of H2O-CO2 fluid were run in a piston-cylinder apparatus, using a source consisting of a powdered mixture of spodumene, quartz and zircon with oxalic acid added to produce H2O-CO2 fluid. Nuclear reaction analysis (NRA) with the resonant nuclear reaction 7Li(p,γ)8Be was used to measure diffusion profiles for the experiments. The following Arrhenius parameters were obtained for Li diffusion normal to the c-axis over the temperature range 703-1.151°C at 1 atm for experiments run with the spodumene source: D_{text{Li}} = 7.17 × 10^{ - 7} { exp }( - 275 ± 11 {text{kJmol}}^{ - 1} /{text{RT}}){text{m}}2 {text{s}}^{ - 1}. Diffusivities are similar for transport parallel to the c-axis, indicating little anisotropy for Li diffusion in zircon. Similar Li diffusivities were also found for experiments run under fluid-present conditions and for the experiment run with the Dy-bearing source. Li diffusion is considerably faster than diffusion of other cations in zircon, with a smaller activation energy for diffusion. Although Li diffusion in zircon is comparatively rapid, zircons will be moderately retentive of Li signatures at mid-crustal metamorphic temperatures, but they are unlikely to retain this information for geologically significant times under high-grade metamorphism.
Telomere length in Hepatitis C.
Kitay-Cohen, Y; Goldberg-Bittman, L; Hadary, R; Fejgin, M D; Amiel, A
2008-11-01
Telomeres are nucleoprotein structures located at the termini of chromosomes that protect the chromosomes from fusion and degradation. Hepatocyte cell-cycle turnover may be a primary mechanism of telomere shortening in hepatitis C virus (HCV) infection, inducing fibrosis and cellular senescence. HCV infection has been recognized as potential cause of B-cell lymphoma and hepatocellular carcinoma. The present study sought to assess relative telomere length in leukocytes from patients with chronic HCV infection, patients after eradication of HCV infection (in remission), and healthy controls. A novel method of manual evaluation was applied. Leukocytes derived from 22 patients with chronic HCV infection and age- and sex-matched patients in remission and healthy control subjects were subjected to a fluorescence-in-situ protocol (DAKO) to determine telomere fluorescence intensity and number. The relative, manual, analysis of telomere length was validated against findings on applied spectral imaging (ASI) in a random sample of study and control subjects. Leukocytes from patients with chronic HCV infection had shorter telomeres than leukocytes from patients in remission and healthy controls. On statistical analysis, more cells with low signal intensity on telomere FISH had shorter telomeres whereas more cells with high signal intensity had longer telomeres. The findings were corroborated by the ASI telomere software. Telomere shortening in leukocytes from patients with active HCV infection is probably due to the lower overall telomere level rather than higher cell cycle turnover. Manual evaluation is an accurate and valid method of assessing relative telomere length between patients with chronic HCV infection and healthy subjects. PMID:18992639
The NIST Length Scale Interferometer
Beers, John S.; Penzes, William B.
1999-01-01
The National Institute of Standards and Technology (NIST) interferometer for measuring graduated length scales has been in use since 1965. It was developed in response to the redefinition of the meter in 1960 from the prototype platinum-iridium bar to the wavelength of light. The history of the interferometer is recalled, and its design and operation described. A continuous program of modernization by making physical modifications, measurement procedure changes and computational revisions is described, and the effects of these changes are evaluated. Results of a long-term measurement assurance program, the primary control on the measurement process, are presented, and improvements in measurement uncertainty are documented.
Feng, Edward H.; Crooks, Gavin E.
2008-08-21
An unresolved problem in physics is how the thermodynamic arrow of time arises from an underlying time reversible dynamics. We contribute to this issue by developing a measure of time-symmetry breaking, and by using the work fluctuation relations, we determine the time asymmetry of recent single molecule RNA unfolding experiments. We define time asymmetry as the Jensen-Shannon divergencebetween trajectory probability distributions of an experiment and its time-reversed conjugate. Among other interesting properties, the length of time's arrow bounds the average dissipation and determines the difficulty of accurately estimating free energy differences in nonequilibrium experiments.
Applicability of Mixing Length Theory to a Turbulent Vortex System
NASA Technical Reports Server (NTRS)
Ragsdale, Robert G.
1961-01-01
The ability of mixing length theory to correlate vortex data is evaluated. Expressions are derived for eddy diffusivity by applying the techniques of von Karman and Prandtl which have been established for pipe flow. Total and static pressures were measured from the outer radius to the exhaust-nozzle radius of a vortex generator for a range of mass flows. These data are combined with Navier-Stokes solutions for this region of a compressible vortex to determine turbulent Reynolds numbers. The Reynolds number is related to Prandtl and Karman functions for various assumed boundary conditions, and the experimental data are used to determine the usefulness of these expressions. The following conclusions were reached: (1) Mixing length functions developed by applying von Karman's similarity hypothesis to vortex motion correlate the data better than do Prandtl functions obtained with the assumption that mixing length is proportional to radius. (2) Some of the expressions developed do not adequately represent the experimental data. (3) The data are correlated with acceptable scatter by evaluating the fluid radial inertia at the outer boundary and the shear stress at the inner boundary. The universal constant K was found to be 0.04 to 0.08, rather than the value of 0.4 which is accepted for rectilinear flow. (4) The data are best correlated by a modified Karman expression which includes an effect of radial inertia, as well as shear stress, on eddy diffusivity.
Dependence on chain length of NMR relaxation times in mixtures of alkanes
NASA Astrophysics Data System (ADS)
Freed, Denise E.
2007-05-01
Many naturally occurring fluids, such as crude oils, consist of a very large number of components. It is often of interest to determine the composition of the fluids in situ. Diffusion coefficients and nuclear magnetic resonance (NMR) relaxation times can be measured in situ and depend on the size of the molecules. It has been shown [D. E. Freed et al., Phys. Rev. Lett. 94, 067602 (2005)] that the diffusion coefficient of each component in a mixture of alkanes follows a scaling law in the chain length of that molecule and in the mean chain length of the mixture, and these relations were used to determine the chain length distribution of crude oils from NMR diffusion measurements. In this paper, the behavior of NMR relaxation times in mixtures of chain molecules is addressed. The author explains why one would expect scaling laws for the transverse and longitudinal relaxation times of mixtures of short chain molecules and mixtures of alkanes, in particular. It is shown how the power law dependence on the chain length can be calculated from the scaling laws for the translational diffusion coefficients. The author fits the literature data for NMR relaxation in binary mixtures of alkanes and finds that its dependence on chain length agrees with the theory. Lastly, it is shown how the scaling laws in the chain length and the mean chain length can be used to determine the chain length distribution in crude oils that are high in saturates. A good fit is obtained between the NMR-derived chain length distributions and the ones from gas chromatography.
NMR Measures of Heterogeneity Length
NASA Astrophysics Data System (ADS)
Spiess, Hans W.
2002-03-01
Advanced solid state NMR spectroscopy provides a wealth of information about structure and dynamics of complex systems. On a local scale, multidimensional solid state NMR has elucidated the geometry and the time scale of segmental motions at the glass transition. The higher order correlation functions which are provided by this technique led to the notion of dynamic heterogeneities, which have been characterized in detail with respect to their rate memory and length scale. In polymeric and low molar mass glass formers of different fragility, length scales in the range 2 to 4 nm are observed. In polymeric systems, incompatibility of backbone and side groups as in polyalkylmethacrylates leads to heteogeneities on the nm scale, which manifest themselves in unusual chain dynamics at the glass transition involving extended chain conformations. References: K. Schmidt-Rohr and H.W. Spiess, Multidimensional Solid-State NMR and Polymers,Academic Press, London (1994). U. Tracht, M. Wilhelm, A. Heuer, H. Feng, K. Schmidt-Rohr, H.W. Spiess, Phys. Rev. Lett. 81, 2727 (1998). S.A. Reinsberg, X.H. Qiu, M. Wilhelm, M.D. Ediger, H.W. Spiess, J.Chem.Phys. 114, 7299 (2001). S.A. Reinsberg, A. Heuer, B. Doliwa, H. Zimmermann, H.W. Spiess, J. Non-Crystal. Solids, in press (2002)
Updating applied diffusion models
Weil, J.C.
1985-01-01
Most diffusion models currently used in air-quality applications are substantially out of date with understanding of turbulence and diffusion in the planetary boundary layer. Under a Cooperative Agreement with the Environmental Protection Agency, the American Meteorological Society organized a workshop to help improve the basis of such models, their physics and hopefully their performance. Reviews and recommendations were made on models in three areas: diffusion in the convective boundary layer (CBL), diffusion in the stable boundary layer (SBL), and model uncertainty. Progress has been made in all areas, but it is most significant and ready for application to practical models in the case of the CBL. This has resulted from a clear understanding of the vertical structure and diffusion in the CBL, as demonstrated by laboratory experiments, numerical simulations, and field observations. Understanding of turbulence structure and diffusion in the SBL is less complete and not yet ready for general use in applications.
Narrow groove welding gas diffuser assembly and welding torch
Rooney, Stephen J.
2000-02-04
A diffuser assembly is provided for narrow groove welding using an automatic gas tungsten arc welding torch. The diffuser assembly includes manifold adapted for adjustable mounting on the welding torch which is received in a central opening in the manifold. Laterally extending manifold sections communicate with a shield gas inlet such that shield gas supplied to the inlet passes to gas passages of the manifold sections. First and second tapered diffusers are respectively connected to the manifold sections in fluid communication with the gas passages thereof. The diffusers extend downwardly along the torch electrode on opposite sides thereof so as to release shield gas along the length of the electrode and at the distal tip of the electrode. The diffusers are of a transverse width which is on the order of the thickness of the electrode so that the diffusers can, in use, be inserted into a narrow welding groove before and after the electrode in the direction of the weld operation.
Narrow groove welding gas diffuser assembly and welding torch
Rooney, Stephen J.
2001-01-01
A diffuser assembly is provided for narrow groove welding using an automatic gas tungsten arc welding torch. The diffuser assembly includes a manifold adapted for adjustable mounting on the welding torch which is received in a central opening in the manifold. Laterally extending manifold sections communicate with a shield gas inlet such that shield gas supplied to the inlet passes to gas passages of the manifold sections. First and second tapered diffusers are respectively connected to the manifold sections in fluid communication with the gas passages thereof. The diffusers extend downwardly along the torch electrode on opposite sides thereof so as to release shield gas along the length of the electrode and at the distal tip of the electrode. The diffusers are of a transverse width which is on the order of the thickness of the electrode so that the diffusers can, in use, be inserted into a narrow welding groove before and after the electrode in the direction of the weld operation.
Garrett, George A.; Shacter, John
1978-01-01
1. A gaseous diffusion system comprising a plurality of diffusers connected in cascade to form a series of stages, each of said diffusers having a porous partition dividing it into a high pressure chamber and a low pressure chamber, and means for combining a portion of the enriched gas from a succeeding stage with a portion of the enriched gas from the low pressure chamber of each stage and feeding it into one extremity of the high pressure chamber thereof.
Inpainting using airy diffusion
NASA Astrophysics Data System (ADS)
Lorduy Hernandez, Sara
2015-09-01
One inpainting procedure based on Airy diffusion is proposed, implemented via Maple and applied to some digital images. Airy diffusion is a partial differential equation with spatial derivatives of third order in contrast with the usual diffusion with spatial derivatives of second order. Airy diffusion generates the Airy semigroup in terms of the Airy functions which can be rewritten in terms of Bessel functions. The Airy diffusion can be used to smooth an image with the corresponding noise elimination via convolution. Also the Airy diffusion can be used to erase objects from an image. We build an algorithm using the Maple package ImageTools and such algorithm is tested using some images. Our results using Airy diffusion are compared with the similar results using standard diffusion. We observe that Airy diffusion generates powerful filters for image processing which could be incorporated in the usual packages for image processing such as ImageJ and Photoshop. Also is interesting to consider the possibility to incorporate the Airy filters as applications for smartphones and smart-glasses.
Multicomponent diffusion revisited
NASA Astrophysics Data System (ADS)
Lam, S. H.
2006-07-01
The derivation of the multicomponent diffusion law is revisited. Following Furry [Am. J. Phys. 16, 63 (1948)], Williams [Am. J. Phys. 26, 467 (1958); Combustion Theory, 2nd ed. (Benjamin/Cummings , Menlo Park, CA,1985)] heuristically rederived the classical kinetic theory results using macroscopic equations, and pointed out that the dynamics of the mixture fluid had been assumed inviscid. This paper generalizes the derivation, shows that the inviscid assumption can easily be relaxed to add a new term to the classical diffusion law, and the thermal diffusion term can also be easily recovered. The nonuniqueness of the multicomponent diffusion coefficient matrix is emphasized and discussed.
Geometry of area without length
NASA Astrophysics Data System (ADS)
Ho, Pei-Ming; Inami, Takeo
2016-01-01
To define a free string by the Nambu-Goto action, all we need is the notion of area, and mathematically the area can be defined directly in the absence of a metric. Motivated by the possibility that string theory admits backgrounds where the notion of length is not well defined but a definition of area is given, we study space-time geometries based on the generalization of a metric to an area metric. In analogy with Riemannian geometry, we define the analogues of connections, curvatures, and Einstein tensor. We propose a formulation generalizing Einstein's theory that will be useful if at a certain stage or a certain scale the metric is ill defined and the space-time is better characterized by the notion of area. Static spherical solutions are found for the generalized Einstein equation in vacuum, including the Schwarzschild solution as a special case.
Experimental study of vortex diffusers
Shakerin, S.; Miller, P.L.
1995-11-01
This report documents experimental research performed on vortex diffusers used in ventilation and air-conditioning systems. The main objectives of the research were (1) to study the flow characteristics of isothermal jets issuing from vortex diffusers, (2) to compare the vortex diffuser`s performance with that of a conventional diffuser, and (3) to prepare a report that disseminates the results to the designers of ventilation and air-conditioning systems. The researchers considered three diffusers: a conventional round ceiling diffuser and two different styles of vortex diffusers. Overall, the vortex diffusers create slightly more induction of ambient air in comparison to the conventional diffuser.
Back diffusion from thin low permeability zones.
Yang, Minjune; Annable, Michael D; Jawitz, James W
2015-01-01
Aquitards can serve as long-term contaminant sources to aquifers when contaminant mass diffuses from the aquitard following aquifer source mass depletion. This study describes analytical and experimental approaches to understand reactive and nonreactive solute transport in a thin aquitard bounded by an adjacent aquifer. A series of well-controlled laboratory experiments were conducted in a two-dimensional flow chamber to quantify solute diffusion from a high-permeability sand into and subsequently out of kaolinite clay layers of vertical thickness 15 mm, 20 mm, and 60 mm. One-dimensional analytical solutions were developed for diffusion in a finite aquitard with mass exchange with an adjacent aquifer using the method of images. The analytical solutions showed very good agreement with measured breakthrough curves and aquitard concentration distributions measured in situ by light reflection visualization. Solutes with low retardation accumulated more stored mass with greater penetration distance in the aquitard compared to high-retardation solutes. However, because the duration of aquitard mass release was much longer, high-retardation solutes have a greater long-term back diffusion risk. The error associated with applying a semi-infinite domain analytical solution to a finite diffusion domain increases as a function of the system relative diffusion length scale, suggesting that the solutions using image sources should be applied in cases with rapid solute diffusion and/or thin clay layers. The solutions presented here can be extended to multilayer aquifer/low-permeability systems to assess the significance of back diffusion from thin layers.
Back diffusion from thin low permeability zones.
Yang, Minjune; Annable, Michael D; Jawitz, James W
2015-01-01
Aquitards can serve as long-term contaminant sources to aquifers when contaminant mass diffuses from the aquitard following aquifer source mass depletion. This study describes analytical and experimental approaches to understand reactive and nonreactive solute transport in a thin aquitard bounded by an adjacent aquifer. A series of well-controlled laboratory experiments were conducted in a two-dimensional flow chamber to quantify solute diffusion from a high-permeability sand into and subsequently out of kaolinite clay layers of vertical thickness 15 mm, 20 mm, and 60 mm. One-dimensional analytical solutions were developed for diffusion in a finite aquitard with mass exchange with an adjacent aquifer using the method of images. The analytical solutions showed very good agreement with measured breakthrough curves and aquitard concentration distributions measured in situ by light reflection visualization. Solutes with low retardation accumulated more stored mass with greater penetration distance in the aquitard compared to high-retardation solutes. However, because the duration of aquitard mass release was much longer, high-retardation solutes have a greater long-term back diffusion risk. The error associated with applying a semi-infinite domain analytical solution to a finite diffusion domain increases as a function of the system relative diffusion length scale, suggesting that the solutions using image sources should be applied in cases with rapid solute diffusion and/or thin clay layers. The solutions presented here can be extended to multilayer aquifer/low-permeability systems to assess the significance of back diffusion from thin layers. PMID:25478850
Macromolecular Diffusion in Dynamic Polymer Nanocomposite
NASA Astrophysics Data System (ADS)
Lin, Chia-Chun; Cargnello, Matteo; Clarke, Nigel; Winey, Karen; Composto, Russell
2015-03-01
We consider diffusion of tracer polymers in the presence of mobile nanoparticles in polymer nanocomposites (PNCs). These nanoparticles are mobile on the time scale of polymer diffusion and have dimensions less than the entanglement mesh size (i.e., tube diameter). The PNC consists of titanium dioxide nanorods (NR, diameter=4.5nm; length=30.1nm) grafted with phenyl groups uniformly dispersed in a polystyrene (P=650kg/mol; tube diameter=8nm) matrix up to 10 volume percent. Three deuterated polystyrenes (dPS; M=800, 1800 and 3200 kg/mol) are chosen because their diffusion relative to NR allows for investigating fixed and mobile NR by simply changing M. For all M, the reduced tracer diffusivities are observed to decrease monotonically as NR loading increases. However, the reduced diffusivity of dPS (3200 kg/mol) is faster than expected compared to the fixed NR case. These findings suggest that mobile NR do not effectively slow down tracer diffusion relative to fixed particles. To test this hypothesis, dPS diffusion is investigated in a high molecular weight matrix PS (2000 kg/mol) in order to slow down NR diffusion relative to dPS (3200 kg/mol). New models are needed to incorporate these mobility dependent entanglements into a comprehensive understanding of dynamics in PNCs. Primary fundings: NSF/EPSRC Materials World Network DMR-1210379 (KIW, RJC) and EP/5065373/1 (NC). Support also by the NSF/MRSEC-DMR 11-20901, and Polymer Programs DMR 09-07493.
A Method for Studying Atomic Diffusion by STM Tip-Crash Induced Vacancy Island Coalescence
NASA Astrophysics Data System (ADS)
Lake, R. E.; Lange, A. P.; Ray, M. P.; Sosolik, C. E.
2007-11-01
The study of vacancy and adatom island motion on single crystal metals with the scanning tunneling microscope (STM) has explained many of the underlying atomic diffusion mechanisms responsible for movement of atoms on a surface. We present a new method for vacancy island creation at room temperature using a controlled mechanical tip-surface interaction. The method allows us to control the relative positions and initial sizes of vacancy islands with respect to one another and to surface defects. Complicated and closely spaced vacancy island configurations can also be engineered. This enhances our ability to collect statistics on the movement of the macro-scale vacancy islands and distinguish between mass transport channels. To demonstrate the technique, time series analysis of coalescence events on the surface of Ag(111) is presented. Diffusion coefficients of the Ag surface atoms obtained with this method are in general agreement with previous stochastic methods for creating vacancy islands such as low-dose sputtering [1]. [1] M. Eßer, K. Morgenstern, G. Rosenfeld, G. Comsa, Surf. Sci. 402-404, 341 (1998).
Numerical study of a cylinder model of the diffusion MRI signal for neuronal dendrite trees.
Van Nguyen, Dang; Grebenkov, Denis; Le Bihan, Denis; Li, Jing-Rebecca
2015-03-01
We study numerically how the neuronal dendrite tree structure can affect the diffusion magnetic resonance imaging (dMRI) signal in brain tissue. For a large set of randomly generated dendrite trees, synthetic dMRI signals are computed and fitted to a cylinder model to estimate the effective longitudinal diffusivity D(L) in the direction of neurites. When the dendrite branches are short compared to the diffusion length, D(L) depends significantly on the ratio between the average branch length and the diffusion length. In turn, D(L) has very weak dependence on the distribution of branch lengths and orientations of a dendrite tree, and the number of branches per node. We conclude that the cylinder model which ignores the connectivity of the dendrite tree, can still be adapted to describe the apparent diffusion coefficient in brain tissue. PMID:25681802
Effect of hourglass-shaped nanopore length on osmotic water transport
NASA Astrophysics Data System (ADS)
Shahbabaei, Majid; Kim, Daejoong
2016-09-01
In the present research, molecular dynamic (MD) simulations are utilized in order to examine the water transport properties through hourglass-shaped pore structures with various lengths. The length elongates in a range of 100-200 Å, while the size of the narrowest diameter remains constant at 3 Å. The results show that the defect effect can be substantially diminished as the length increases, so that the fluctuations of the energy barrier reaches zero inside 200 Å pore structure, which is an indication of rapid increase of water transport rate. The flux increases with length, suggesting a reduction in hydrodynamic resistance, that water molecules are able to easily enter the pore. The axial diffusivity and permeability are increased once the length increments, which indicate a fast water transport. It is concluded that the thermal fluctuations of water molecules inside reservoir affect the motion of water molecules inside the pore as length decreases.
Synthetic hydraphile channels of appropriate length kill Escherichia coli.
Leevy, W Matthew; Donato, Gina M; Ferdani, Riccardo; Goldman, William E; Schlesinger, Paul H; Gokel, George W
2002-08-01
Crown ether-based synthetic cation conducting channels called hydraphiles show clear ionophoretic activity in phospholipid vesicles. These compounds are shown to be active against the bacterium E. coli. Disk diffusion assays were performed to assess the toxicity of different hydraphile derivatives. Liquid culture tests were conducted to quantitate the dependence of bacterical activity on channel length. It is proposed that hydraphiles are toxic to bacteria as a result of channel formation in the membrane. The bactericidal activity is found to depend at least on the presence of a functional central relay and proper channel length. It is speculated that hydraphiles insert into the bilayer and disrupt the cell's osmotic balance, leading to cell death.
Control of exit velocity profile of an asymmetric annular diffuser using wall suction
NASA Technical Reports Server (NTRS)
Juhasz, A. J.
1973-01-01
An asymmetric annular diffuser equipped with wall bleed (suction) capability was tested for controllability of exit velocity profile. The diffuser area ratio was 3.2, and the length to inlet height ratio was 1.6. Results show that the diffuser radial exit velocity profile could be controlled from a hub peaked to a tip peaked form by selective use of bleed on the outer wall or on both diffuser walls. Based on these results, application of the diffuser bleed technique to gas turbine combustors may be possible. Diffuser bleed could be used to tailor the airflow distribution for optimizing combustor performance at a variety of operating conditions.
G. Rajagopalan; N.S. Reddy; E. Ehsani; I.B. Bhat; P.S. Dutta; R.J. Gutmann; G. Nichols; G.W. Charache; O. Sulima
2003-08-29
A single step diffusion followed by precise etching of the diffused layer has been developed to obtain a diffusion profile appropriate for high efficiency GaSb thermophotovoltaic cells. The junction depth was controlled through monitoring of light current-voltage (I-V) curves (photovoltaic response) during the post diffusion emitter etching process. The measured photoresponses (prior to device fabrication) have been correlated with the quantum efficiencies and the open circuit voltages in the fabricated devices. An optimum junction depth for obtaining highest quantum efficiency and open circuit voltage is presented based on diffusion lengths (or monitoring carrier lifetimes), carrier mobility and typical diffused impurity profile in GaSb.
Natural convection within a vertical finite-length channel in free space
Lin, S.C.; Chang, K.P.; Hung, Y.H. )
1994-04-01
Natural convection within a vertical finite length channel in free space is studied in this article to remove assumptions that need to be made on velocity and temperature profiles at the channel entrance. For small channel aspect ratios and low Rayleigh numbers, significant deviations of the Nusselt number and temperature distributions exist due to the effects of vertical thermal diffusion and free space stratification in the channel. A new correlation was proposed on induced Reynolds number for vertical finite length channel. 8 refs.
Novel light diffusing fiber for use in medical applications
NASA Astrophysics Data System (ADS)
Klubben, W. Spencer; Logunov, Stephan L.; Fewkes, Edward J.; Mooney, Jeff; Then, Paul M.; Wigley, Peter G.; Schreiber, Horst; Matias, Kaitlyn; Wilson, Cynthia J.; Ocampo, Manuela
2016-03-01
Fiber-based cylindrical light diffusers are often used in photodynamic therapy to illuminate a luminal organ, such as the esophagus. The diffusers are often made of plastic and suffer from short diffusion lengths and low transmission efficiencies over a broad spectrum. We have developed FibranceTM, a glass-based fiber optic cylindrical diffuser which can illuminate a fiber from 0.5 cm to 10 meters over a broad wavelength range. With these longer illumination lengths, a variety of other medical applications are possible beyond photodynamic therapy. We present a number of applications for Fibrance ranging from in situ controllable illumination for Photodynamic Therapy to light guided anatomy highlighting for minimally invasive surgery to mitigating hospital acquired infections and more.
High-power diffusing-tip fibers for interstitial photocoagulation
NASA Astrophysics Data System (ADS)
Sinofsky, Edward L.; Farr, Norman; Baxter, Lincoln; Weiler, William
1997-05-01
A line of optical fiber based diffusing tips has been designed, developed, and tested that are capable of distributing tens of watts of cw laser power over lengths ranging from two millimeters to over 10 cm. The result is a flexible non-stick diffuser capable of coagulating large volumes of tissue in reasonably short exposures of 3 - 5 minutes. Sub-millimeter diameter devices have a distinct effect on reducing the force needed to insert the applicator interstitially into tissue. Utilizing our design approach, we have produced diffusers based on 200 micrometer core fiber that has delivered over 35 watts of Nd:YAG energy over diffusion lengths as short as 4 mm. These applicators are being tested for applications in oncology, cardiology, electrophysiology, urology and gynecology.
Cosmology with matter diffusion
Calogero, Simone; Velten, Hermano E-mail: velten@cce.ufes.br
2013-11-01
We construct a viable cosmological model based on velocity diffusion of matter particles. In order to ensure the conservation of the total energy-momentum tensor in the presence of diffusion, we include a cosmological scalar field φ which we identify with the dark energy component of the universe. The model is characterized by only one new degree of freedom, the diffusion parameter σ. The standard ΛCDM model can be recovered by setting σ = 0. If diffusion takes place (σ > 0) the dynamics of the matter and of the dark energy fields are coupled. We argue that the existence of a diffusion mechanism in the universe may serve as a theoretical motivation for interacting models. We constrain the background dynamics of the diffusion model with Supernovae, H(z) and BAO data. We also perform a perturbative analysis of this model in order to understand structure formation in the universe. We calculate the impact of diffusion both on the CMB spectrum, with particular attention to the integrated Sachs-Wolfe signal, and on the matter power spectrum P(k). The latter analysis places strong constraints on the magnitude of the diffusion mechanism but does not rule out the model.
Speckle reducing anisotropic diffusion.
Yu, Yongjian; Acton, Scott T
2002-01-01
This paper provides the derivation of speckle reducing anisotropic diffusion (SRAD), a diffusion method tailored to ultrasonic and radar imaging applications. SRAD is the edge-sensitive diffusion for speckled images, in the same way that conventional anisotropic diffusion is the edge-sensitive diffusion for images corrupted with additive noise. We first show that the Lee and Frost filters can be cast as partial differential equations, and then we derive SRAD by allowing edge-sensitive anisotropic diffusion within this context. Just as the Lee and Frost filters utilize the coefficient of variation in adaptive filtering, SRAD exploits the instantaneous coefficient of variation, which is shown to be a function of the local gradient magnitude and Laplacian operators. We validate the new algorithm using both synthetic and real linear scan ultrasonic imagery of the carotid artery. We also demonstrate the algorithm performance with real SAR data. The performance measures obtained by means of computer simulation of carotid artery images are compared with three existing speckle reduction schemes. In the presence of speckle noise, speckle reducing anisotropic diffusion excels over the traditional speckle removal filters and over the conventional anisotropic diffusion method in terms of mean preservation, variance reduction, and edge localization.
Digel, Seth W.; /SLAC
2007-10-25
Interactions of cosmic rays with interstellar nucleons and photons make the Milky Way a bright, diffuse source of high-energy {gamma}-rays. Observationally, the results from EGRET, COMPTEL, and OSSE have now been extended to higher energies by ground-based experiments, with detections of diffuse emission in the Galactic center reported by H.E.S.S. in the range above 100 GeV and of diffuse emission in Cygnus by MILAGRO in the TeV range. In the range above 100 keV, INTEGRAL SPI has found that diffuse emission remains after point sources are accounted for. I will summarize current knowledge of diffuse {gamma}-ray emission from the Milky Way and review some open issues related to the diffuse emission -- some old, like the distribution of cosmic-ray sources and the origin of the 'excess' of GeV emission observed by EGRET, and some recently recognized, like the amount and distribution of molecular hydrogen not traced by CO emission -- and anticipate some of the advances that will be possible with the Large Area Telescope on GLAST. We plan to develop an accurate physical model for the diffuse emission, which will be useful for detecting and accurately characterizing emission from Galactic point sources as well as any Galactic diffuse emission from exotic processes, and for studying the unresolved extragalactic emission.
Investigating Diffusion with Technology
ERIC Educational Resources Information Center
Miller, Jon S.; Windelborn, Augden F.
2013-01-01
The activities described here allow students to explore the concept of diffusion with the use of common equipment such as computers, webcams and analysis software. The procedure includes taking a series of digital pictures of a container of water with a webcam as a dye slowly diffuses. At known time points, measurements of the pixel densities…
ERIC Educational Resources Information Center
Bringuier, E.
2009-01-01
The paper analyses particle diffusion from a thermodynamic standpoint. The main goal of the paper is to highlight the conceptual connection between particle diffusion, which belongs to non-equilibrium statistical physics, and mechanics, which deals with particle motion, at the level of third-year university courses. We start out from the fact…
Diffusion in Coulomb crystals.
Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K
2011-07-01
Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous. PMID:21867316
Diffusion in Coulomb crystals.
Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K
2011-07-01
Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.; Watson, E. B.
2011-12-01
Diffusion of helium has been characterized in natural Fe-bearing olivine (~Fo90) and synthetic forsterite. Polished, oriented slabs of olivine were implanted with 3He, at 100 keV at a dose of 5x1015/cm2 or at 3.0 MeV at a dose of 1x1016/cm2. A set of experiments on the implanted olivine were run in 1-atm furnaces. In addition to the one-atm experiments, experiments on implanted samples were also run at higher pressures (2.6 and 2.7 GPa) to assess the potential effects of pressure on He diffusion and the applicability of the measured diffusivities in describing He transport in the mantle. The high-pressure experiments were conducted in a piston-cylinder apparatus using an "ultra-soft" pressure cell, with the diffusion sample directly surrounded by AgCl. 3He distributions following experiments were measured with Nuclear Reaction Analysis using the reaction 3He(d,p)4He. This direct profiling method permits us to evaluate anisotropy of diffusion, which cannot be easily assessed using bulk-release methods. For diffusion in forsterite parallel to c we obtain the following Arrhenius relation over the temperatures 250-950°C: D = 3.91x10-6exp(-159 ± 4 kJ mol-1/RT) m2/sec. The data define a single Arrhenius line spanning more than 7 orders of magnitude in D and 700°C in temperature. Diffusion parallel to a appears slightly slower, yielding an activation energy for diffusion of 135 kJ/mol and a pre-exponential factor of 3.73x10-8 m2/sec. Diffusion parallel to b is slower than diffusion parallel to a (by about two-thirds of a log unit); for this orientation an activation energy of 138 kJ/mol and a pre-exponential factor of 1.34x10-8 m2/sec are obtained. This anisotropy is broadly consistent with observations for diffusion of Ni and Fe-Mg in olivine. Diffusion in Fe-bearing olivine (transport parallel to b) agrees within uncertainty with findings for He diffusion in forsterite. The higher-pressure experiments yield diffusivities in agreement with those from the 1-atm
Investigation of Perforated Convergent-divergent Diffusers with Initial Boundary Layer
NASA Technical Reports Server (NTRS)
Weinstein, Maynard I
1950-01-01
An experimental investigation was made at Mach number 1.90 of the performance of a series of perforated convergent-divergent supersonic diffusers operating with initial boundary layer, which was induced and controlled by lengths of cylindrical inlets affixed to the diffusers. Supercritical mass-flow and peak total-pressure recoveries were decreased slightly by use of the longest inlets (4 inlet diameters in length). Combinations of cylindrical inlets, perforated diffusers, and subsonic diffuser were evaluated as simulated wind tunnels having second throats. Comparisons with noncontracted configurations of similar scale indicated conservatively computed power reductions of 25 percent.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 28 Judicial Administration 2 2012-07-01 2012-07-01 false Hair length. 551.4 Section 551.4 Judicial... Hair length. (a) The Warden may not restrict hair length if the inmate keeps it neat and clean. (b) The Warden shall require an inmate with long hair to wear a cap or hair net when working in food service...
Code of Federal Regulations, 2014 CFR
2014-07-01
... 28 Judicial Administration 2 2014-07-01 2014-07-01 false Hair length. 551.4 Section 551.4 Judicial... Hair length. (a) The Warden may not restrict hair length if the inmate keeps it neat and clean. (b) The Warden shall require an inmate with long hair to wear a cap or hair net when working in food service...
Code of Federal Regulations, 2013 CFR
2013-07-01
... 28 Judicial Administration 2 2013-07-01 2013-07-01 false Hair length. 551.4 Section 551.4 Judicial... Hair length. (a) The Warden may not restrict hair length if the inmate keeps it neat and clean. (b) The Warden shall require an inmate with long hair to wear a cap or hair net when working in food service...
Code of Federal Regulations, 2011 CFR
2011-07-01
... 28 Judicial Administration 2 2011-07-01 2011-07-01 false Hair length. 551.4 Section 551.4 Judicial... Hair length. (a) The Warden may not restrict hair length if the inmate keeps it neat and clean. (b) The Warden shall require an inmate with long hair to wear a cap or hair net when working in food service...
Code of Federal Regulations, 2011 CFR
2011-01-01
... 7 Agriculture 2 2011-01-01 2011-01-01 false Midrib length. 51.610 Section 51.610 Agriculture... Consumer Standards for Celery Stalks Definitions § 51.610 Midrib length. Midrib length of a branch means the distance between the point of attachment to the root and the first node....
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 2 2010-01-01 2010-01-01 false Midrib length. 51.610 Section 51.610 Agriculture... Consumer Standards for Celery Stalks Definitions § 51.610 Midrib length. Midrib length of a branch means the distance between the point of attachment to the root and the first node....
Code of Federal Regulations, 2010 CFR
2010-07-01
... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Hair length. 551.4 Section 551.4 Judicial Administration BUREAU OF PRISONS, DEPARTMENT OF JUSTICE INSTITUTIONAL MANAGEMENT MISCELLANEOUS Grooming § 551.4 Hair length. (a) The Warden may not restrict hair length if the inmate keeps it neat and clean. (b)...
Scale length study in TFTR (Tokamak Fusion Test Reactor)
Hiroe, S.; Goldston, R.J.; Bitter, M.; Bush, C.E.; Efthimion, P.C.; Grek, B.; Johnson, D.W.; Murakami, M.; Schivell, J.; Towner, H.H.
1988-12-01
The scale lengths of the electron density (L/sub n//sub e/), temperature (L/sub T//sub e/), and pressure (L/sub p//sub e/) gradients were investigated during the 1985 operating period of the Tokamak Fusion Test Reactor (TFTR) for gas-fueled plasmas with neutral beam injection and movable limiter. Although the global energy confinement time degrades as the heating power increases or the plasma current decreases, the radial profiles of the scale lengths (L/sub T//sub e/ and L/sup p//sub e/) remain unchanged. Especially, the electron pressure profile is constrained not to change. This trend appears to hold over a fairly wide range of TFTR operational regimes. The radial profiles of L/sub n//sub e/ and /eta//sub e/ (= L/sub n//sub e//L/sub T//sub e/) also appear to remain unchanged, although the uncertainties of the experimental data for these quantities are greater than those for L/sub T//sub e/ and L/sub p//sub e/. The experimental parameters are used to evaluate theoretical predictions of the electron thermal diffusivity, and the results are compared with the empirical thermal diffusivity. 34 refs., 18 figs., 2 tabs.
De Luca, A.; Texier, M.; Burle, N.; Oison, V.; Pichaud, B.; Portavoce, A.; Grosjean, C.
2014-01-07
Two doses (10{sup 13} and 10{sup 15} cm{sup −2}) of tungsten (W) atoms were implanted in different Si(001) wafers in order to study W diffusion in Si. The samples were annealed or oxidized at temperatures between 776 and 960 °C. The diffusion profiles were measured by secondary ion mass spectrometry, and defect formation was studied by transmission electron microscopy and atom probe tomography. W is shown to reduce Si recrystallization after implantation and to exhibit, in the temperature range investigated, a solubility limit close to 0.15%–0.2%, which is higher than the solubility limit of usual metallic impurities in Si. W diffusion exhibits unusual linear diffusion profiles with a maximum concentration always located at the Si surface, slower kinetics than other metals in Si, and promotes vacancy accumulation close to the Si surface, with the formation of hollow cavities in the case of the higher W dose. In addition, Si self-interstitial injection during oxidation is shown to promote W-Si clustering. Taking into account these observations, a diffusion model based on the simultaneous diffusion of interstitial W atoms and W-Si atomic pairs is proposed since usual models used to model diffusion of metallic impurities and dopants in Si cannot reproduce experimental observations.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.; Van Orman, J. A.
2014-03-01
Diffusion of tungsten has been characterized in synthetic forsterite and natural olivine (Fo90) under dry conditions. The source of diffusant was a mixture of magnesium tungstate and olivine powders. Experiments were prepared by sealing the source material and polished olivine under vacuum in silica glass ampoules with solid buffers to buffer at NNO or IW. Prepared capsules were annealed in 1 atm furnaces for times ranging from 45 min to several weeks, at temperatures from 1050 to 1450 °C. Tungsten distributions in the olivine were profiled by Rutherford Backscattering Spectrometry (RBS). The following Arrhenius relation is obtained for W diffusion in forsterite: D=1.0×10-8exp(-365±28 kJ mol/RT) m s Diffusivities for the synthetic forsterite and natural Fe-bearing olivine are similar, and tungsten diffusion in olivine shows little dependence on crystallographic orientation or oxygen fugacity. The slow diffusivities measured for W in olivine indicate that Hf-W ages in olivine-metal systems will close to diffusive exchange at higher temperatures than other chronometers commonly used in cosmochronology, and that tungsten isotopic signatures will be less likely to be reset by subsequent thermal events.
Sarmiento-Gomez, Erick; Lopez-Diaz, David; Castillo, Rolando
2010-09-30
We study the Brownian motion of probe particles embedded in a wormlike micellar fluid made of a zwitterionic surfactant N-tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate (TDPS), sodium dodecyl sulfate (SDS), and salty water to get structural and dynamical information of the micellar network. The motion of the probe particles was tracked with diffusing wave spectroscopy, and the mean square displacement as a function of time for the particles was obtained. This allowed us to obtain the long-time diffusion coefficient for microspheres moving in the micellar network and the cage size where each particle is harmonically bound at short times in that network. The bulk mechanical susceptibility of the fluid determines the response of the probe particles excited by the thermal stochastic forces. As a consequence, the mean square displacement curves allowed us to calculate the elastic (storage) and the viscous (loss) moduli as a function of the frequency. From these curves, spanning a wide frequency range, we estimated the characteristic lengths as the mesh size, the entanglement length, the persistence length, and the contour length for micellar solutions of different zwitterionic surfactant concentration, surfactant ratio ([SDS]/[TDPS]), salt concentration, and temperature. Mesh size, entanglement length, and persistence length are almost insensitive to the change of these variables. In contrast, the contour length changes in an important way. The contour length becomes shorter as the temperature increases, and it presents a peak at a surfactant ratio of ∼0.50-0.55. When salt is added to the solution, the contour length presents a peak at a salt concentration of ∼0.225 M, and in some solutions, this length can reach values of ∼12 μm. Scission energies help us to understand why the contour length first increases and then decreases when salt is added. PMID:20825212
NASA Technical Reports Server (NTRS)
Takahashi, Fumiaki; Katta, V. R.
2006-01-01
Diffusion flames are commonly used for industrial burners in furnaces and flares. Oxygen/fuel burners are usually diffusion burners, primarily for safety reasons, to prevent flashback and explosion in a potentially dangerous system. Furthermore, in most fires, condensed materials pyrolyze, vaporize, and burn in air as diffusion flames. As a result of the interaction of a diffusion flame with burner or condensed-fuel surfaces, a quenched space is formed, thus leaving a diffusion flame edge, which plays an important role in flame holding in combustion systems and fire spread through condensed fuels. Despite a long history of jet diffusion flame studies, lifting/blowoff mechanisms have not yet been fully understood, compared to those of premixed flames. In this study, the structure and stability of diffusion flames of gaseous hydrocarbon fuels in coflowing air at normal earth gravity have been investigated experimentally and computationally. Measurements of the critical mean jet velocity (U(sub jc)) of methane, ethane, or propane at lifting or blowoff were made as a function of the coflowing air velocity (U(sub a)) using a tube burner (i.d.: 2.87 mm). By using a computational fluid dynamics code with 33 species and 112 elementary reaction steps, the internal chemical-kinetic structures of the stabilizing region of methane and propane flames were investigated. A peak reactivity spot, i.e., reaction kernel, is formed in the flame stabilizing region due to back-diffusion of heat and radical species against an oxygen-rich incoming flow, thus holding the trailing diffusion flame. The simulated flame base moved downstream under flow conditions close to the measured stability limit.
NASA Technical Reports Server (NTRS)
Takahashi, Fumiaki; Katta, Viswanath R.
2007-01-01
Diffusion flames are commonly used for industrial burners in furnaces and flares. Oxygen/fuel burners are usually diffusion burners, primarily for safety reasons, to prevent flashback and explosion in a potentially dangerous system. Furthermore, in most fires, condensed materials pyrolyze, vaporize, and burn in air as diffusion flames. As a result of the interaction of a diffusion flame with burner or condensed-fuel surfaces, a quenched space is formed, thus leaving a diffusion flame edge, which plays an important role in flame holding in combustion systems and fire spread through condensed fuels. Despite a long history of jet diffusion flame studies, lifting/blowoff mechanisms have not yet been fully understood, compared to those of premixed flames. In this study, the structure and stability of diffusion flames of gaseous hydrocarbon fuels in coflowing air at normal earth gravity have been investigated experimentally and computationally. Measurements of the critical mean jet velocity (U(sub jc)) of methane, ethane, or propane at lifting or blowoff were made as a function of the coflowing air velocity (U(sub a)) using a tube burner (i.d.: 2.87 mm) (Fig. 1, left). By using a computational fluid dynamics code with 33 species and 112 elementary reaction steps, the internal chemical-kinetic structures of the stabilizing region of methane and propane flames were investigated (Fig. 1, right). A peak reactivity spot, i.e., reaction kernel, is formed in the flame stabilizing region due to back-diffusion of heat and radical species against an oxygen-rich incoming flow, thus holding the trailing diffusion flame. The simulated flame base moved downstream under flow conditions close to the measured stability limit.
Germanium nanowire growth controlled by surface diffusion effects
Schmidtbauer, Jan; Bansen, Roman; Heimburger, Robert; Teubner, Thomas; Boeck, Torsten; Fornari, Roberto
2012-07-23
Germanium nanowires (NWs) were grown onto Ge(111) substrates by the vapor-liquid-solid process using gold droplets. The growth was carried out in a molecular beam epitaxy chamber at substrate temperatures between 370 Degree-Sign C and 510 Degree-Sign C. The resulting nanowire growth rate turns out to be highly dependent on the substrate temperature exhibiting the maximum at T = 430 Degree-Sign C. The temperature dependence of growth rate can be attributed to surface diffusion both along the substrate and nanowire sidewalls. Analyzing the diffusive material transport yields a diffusion length of 126 nm at a substrate temperature of 430 Degree-Sign C.
Going up in time and length scales in modeling polymers
NASA Astrophysics Data System (ADS)
Grest, Gary S.
Polymer properties depend on a wide range of coupled length and time scales, with unique macroscopic viscoelastic behavior stemming from interactions at the atomistic level. The need to probe polymers across time and length scales and particularly computational modeling is inherently challenging. Here new paths to probing long time and length scales including introducing interactions into traditional bead-spring models and coarse graining of atomistic simulations will be compared and discussed. Using linear polyethylene as a model system, the degree of coarse graining with two to six methylene groups per coarse-grained bead derived from a fully atomistic melt simulation were probed. We show that the degree of coarse graining affects the measured dynamic. Using these models we were successful in probing highly entangled melts and were able reach the long-time diffusive regime which is computationally inaccessible using atomistic simulations. We simulated the relaxation modulus and shear viscosity of well-entangled polyethylene melts for scaled times of 500 µs. Results for plateau modulus are in good agreement with experiment. The long time and length scale is coupled to the macroscopic viscoelasticity where the degree of coarse graining sets the minimum length scale instrumental in defining polymer properties and dynamics. Results will be compared to those obtained from simple bead-spring models to demonstrate the additional insight that can be gained from atomistically inspired coarse grained models. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Normal and anomalous diffusion of Brownian particles on disordered potentials
NASA Astrophysics Data System (ADS)
Salgado-García, R.
2016-07-01
In this work we study the transition from normal to anomalous diffusion of Brownian particles on disordered potentials. The potential model consists of a series of "potential hills" (defined on a unit cell of constant length) whose heights are chosen randomly from a given distribution. We calculate the exact expression for the diffusion coefficient in the case of uncorrelated potentials for arbitrary distributions. We show that when the potential heights have a Gaussian distribution (with zero mean and a finite variance) the diffusion of the particles is always normal. In contrast, when the distribution of the potential heights is exponentially distributed the diffusion coefficient vanishes when the system is placed below a critical temperature. We calculate analytically the diffusion exponent for the anomalous (subdiffusive) phase by using the so-called "random trap model". Our predictions are tested by means of Langevin simulations obtaining good agreement within the accuracy of our numerical calculations.
Coiled to diffuse: Brownian motion of a helical bacterium.
Butenko, Alexander V; Mogilko, Emma; Amitai, Lee; Pokroy, Boaz; Sloutskin, Eli
2012-09-11
We employ real-time three-dimensional confocal microscopy to follow the Brownian motion of a fixed helically shaped Leptospira interrogans (LI) bacterium. We extract from our measurements the translational and the rotational diffusion coefficients of this bacterium. A simple theoretical model is suggested, perfectly reproducing the experimental diffusion coefficients, with no tunable parameters. An older theoretical model, where edge effects are neglected, dramatically underestimates the observed rates of translation. Interestingly, the coiling of LI increases its rotational diffusion coefficient by a factor of 5, compared to a (hypothetical) rectified bacterium of the same contour length. Moreover, the translational diffusion coefficients would have decreased by a factor of ~1.5, if LI were rectified. This suggests that the spiral shape of the spirochaete bacteria, in addition to being employed for their active twisting motion, may also increase the ability of these bacteria to explore the surrounding fluid by passive Brownian diffusion.
Hereditary Diffuse Gastric Cancer
... with the syndrome is recommended. What are the estimated cancer risks associated with HDGC? Not everyone who ... the lifetime risk for diffuse gastric cancer is estimated to be 70% to 80% for men and ...
Multinomial Diffusion Equation
Balter, Ariel I.; Tartakovsky, Alexandre M.
2011-06-01
We have developed a novel stochastic, space/time discrete representation of particle diffusion (e.g. Brownian motion) based on discrete probability distributions. We show that in the limit of both very small time step and large concentration, our description is equivalent to the space/time continuous stochastic diffusion equation. Being discrete in both time and space, our model can be used as an extremely accurate, efficient, and stable stochastic finite-difference diffusion algorithm when concentrations are so small that computationally expensive particle-based methods are usually needed. Through numerical simulations, we show that our method can generate realizations that capture the statistical properties of particle simulations. While our method converges converges to both the correct ensemble mean and ensemble variance very quickly with decreasing time step, but for small concentration, the stochastic diffusion PDE does not, even for very small time steps.
Lung diffusion testing measures how well the lungs exchange gases. This is an important part of lung testing , because ... gases do not move normally across the lung tissues into the blood vessels of the lung. This ...
Investigating diffusion with technology
NASA Astrophysics Data System (ADS)
Miller, Jon S.; Windelborn, Augden F.
2013-07-01
The activities described here allow students to explore the concept of diffusion with the use of common equipment such as computers, webcams and analysis software. The procedure includes taking a series of digital pictures of a container of water with a webcam as a dye slowly diffuses. At known time points, measurements of the pixel densities (darkness) of the digital pictures are recorded and then plotted on a graph. The resulting graph of darkness versus time allows students to see the results of diffusion of the dye over time. Through modification of the basic lesson plan, students are able to investigate the influence of a variety of variables on diffusion. Furthermore, students are able to expand the boundaries of their thinking by formulating hypotheses and testing their hypotheses through experimentation. As a result, students acquire a relevant science experience through taking measurements, organizing data into tables, analysing data and drawing conclusions.
Hydrogen Diffusion in Forsterite
NASA Astrophysics Data System (ADS)
Demouchy, S.; Mackwell, S.
2002-12-01
Physical and chemical properties of Earth's mantle are readily modified by interaction with volatiles, such as water. Thus, characterization of solubility and kinetics of incorporation for water in nominally anhydrous minerals is important in order to understand the behavior of Earth's interior under hydrous conditions. Experimental studies on the olivine-water system indicate that significant amounts of OH can dissolve within olivine as point defects (Bell and Rossman, 1992; Kohlstedt et al. 1996). Extending Kohlstedt and Mackwell's (1998) work, our study concerns the kinetics of hydrogen transport in the iron-free olivine-water system. This study is based on hydrogenation of forsterite samples during piston-cylinder and TZM cold-seal vessel experiments. We use infrared analyses in order to constrain the speciation of the mobile water-derived defects in forsterite single-crystal sample, and the rates of diffusion of such species under uppermost mantle conditions (0.2 to 1.5 GPa, 900 to 1100° C). Hydrogen defect transport in single crystals of forsterite is investigated for diffusion parallel to each crystallographic axis. Defect diffusivities are obtained by fitting a diffusion law to the OH content as a function of position in the sample. Our current results indicate that incorporation of hydroxyl species into iron-free olivine is a one-stage process with hydrogen diffusion linked to magnesium vacancy self-diffusion DV, such that DV = D~/3 = 10-12 m2/s at 1000° C parallel to [001], where D~ represents the chemical diffusivity. Those diffusion rates are slightly lower than in iron-bearing olivine for the same incorporation mechanism. The different concentration profiles show a clear anisotropy of diffusion, with fastest diffusion parallel to [001] as in iron-bearing olivine. Thus, while hydrogen solubilities are dependent on iron content, the rate of incorporation of water-derived species in olivine is not strongly coupled to the concentration of iron. This
A statistical model for the length distribution of meshes in a polymer network
NASA Astrophysics Data System (ADS)
Lang, M.; Michalke, W.; Kreitmeier, S.
2001-05-01
A statistical model is introduced which allows estimation of the length distribution of meshes in a unimodal polymer network. The length distribution is responsible for the type and number of entanglements in a network and can thus provide information about the deformation behavior of polymers. The model can also predict the influence of certain simulation parameters such as the degree of cross linkage, the chain length, or the density of the melt from which the network is built. Both a reaction- and a diffusion-controlled cross-linking process can be mapped. We found that a shorter chain length implies a smaller number of chains per mesh. An increase of the degree of cross linkage as well as a lowering of the density of the melt also leads to a smaller average length of the meshes.
Nodal Diffusion & Transport Theory
1992-02-19
DIF3D solves multigroup diffusion theory eigenvalue, adjoint, fixed source, and criticality (concentration, buckling, and dimension search) problems in 1, 2, and 3-space dimensions for orthogonal (rectangular or cylindrical), triangular, and hexagonal geometries. Anisotropic diffusion theory coefficients are permitted. Flux and power density maps by mesh cell and regionwise balance integrals are provided. Although primarily designed for fast reactor problems, upscattering and internal black boundary conditions are also treated.
Analysis of reaction-diffusion systems with anomalous subdiffusion.
Haugh, Jason M
2009-07-22
Reaction-diffusion equations are the cornerstone of modeling biochemical systems with spatial gradients, which are relevant to biological processes such as signal transduction. Implicit in the formulation of these equations is the assumption of Fick's law, which states that the local diffusive flux of species i is proportional to its concentration gradient; however, in the context of complex fluids such as cytoplasm and cell membranes, the use of Fick's law is based on empiricism, whereas evidence has been mounting that such media foster anomalous subdiffusion (with mean-squared displacement increasing less than linearly with time) over certain length scales. Particularly when modeling diffusion-controlled reactions and other systems where the spatial domain is considered semi-infinite, assuming Fickian diffusion might not be appropriate. In this article, two simple, conceptually extreme models of anomalous subdiffusion are used in the framework of Green's functions to demonstrate the solution of four reaction-diffusion problems that are well known in the biophysical context of signal transduction: fluorescence recovery after photobleaching, the Smolochowski limit for diffusion-controlled reactions in solution, the spatial range of a diffusing molecule with finite lifetime, and the collision coupling mechanism of diffusion-controlled reactions in two dimensions. In each case, there are only subtle differences between the two subdiffusion models, suggesting how measurements of mean-squared displacement versus time might generally inform models of reactive systems with partial diffusion control.
Probe diffusion in phase-separated bicontinuous biopolymer gels.
Wassén, Sophia; Bordes, Romain; Gebäck, Tobias; Bernin, Diana; Schuster, Erich; Lorén, Niklas; Hermansson, Anne-Marie
2014-11-01
Probe diffusion was determined in phase separated bicontinuous gels prepared by acid-induced gelation of the whey protein isolate-gellan gum system. The topological characterization of the phase-separated gel systems is achieved by confocal microscopy and the diffusion measurements are performed using pulsed field gradient (PFG) NMR and fluorescence recovery after photo-bleaching (FRAP). These two techniques gave complementary information about the mass transport at different time- and length scales, PFG NMR provided global diffusion rates in the gel systems, while FRAP enabled the measurements of diffusion in different phases of the phase-separated gels. The results revealed that the phase-separated gel with the largest characteristic wavelength had the fastest diffusion coefficient, while the gel with smaller microstructures had a slower probe diffusion rate. By using the diffusion data obtained by FRAP and the structural data from confocal microscopy, modelling through the lattice-Boltzmann framework was carried out to simulate the global diffusion and verify the validity of the experimental measurements. With this approach it was found that discrepancies between the two experimental techniques can be rationalized in terms of probe distribution between the different phases of the system. The combination of different techniques allowed the determination of diffusion in a phase-separated biopolymer gel and gave a clearer picture of this complex system. We also illustrate the difficulties that can arise if precautions are not taken to understand the system-probe interactions.
Advanced manufacturing: Technology diffusion
Tesar, A.
1995-12-01
In this paper we examine how manufacturing technology diffuses rom the developers of technology across national borders to those who do not have the capability or resources to develop advanced technology on their own. None of the wide variety of technology diffusion mechanisms discussed in this paper are new, yet the opportunities to apply these mechanisms are growing. A dramatic increase in technology diffusion occurred over the last decade. The two major trends which probably drive this increase are a worldwide inclination towards ``freer`` markets and diminishing isolation. Technology is most rapidly diffusing from the US In fact, the US is supplying technology for the rest of the world. The value of the technology supplied by the US more than doubled from 1985 to 1992 (see the Introduction for details). History shows us that technology diffusion is inevitable. It is the rates at which technologies diffuse to other countries which can vary considerably. Manufacturers in these countries are increasingly able to absorb technology. Their manufacturing efficiency is expected to progress as technology becomes increasingly available and utilized.
Flow Control in a Transonic Diffuser
NASA Astrophysics Data System (ADS)
Gartner, Jeremy; Amitay, Michael
2014-11-01
In some airplanes such as fighter jets and UAV, short inlet ducts replace the more conventional ducts due to their shorter length. However, these ducts are associated with low length-to-diameter ratio and low aspect ratio and, thus, experience massive separation and the presence of secondary flow structures. These flow phenomena are undesirable as they lead to pressure losses and distortion at the Aerodynamic Interface Plane (AIP), where the engine face is located. It causes the engine to perform with a lower efficiency as it would with a straight duct diffuser. Different flow control techniques were studied on the short inlet duct, with the goal to reattach the flow and minimize the distortions at the AIP. Due to the complex interaction between the separation and the secondary flow structures, the necessity to understand the flow mechanisms, and how to control them at a more fundamental level, a new transonic diffuser with an upper ramp and a straight floor was designed and built. The objective of this project is to explore the effectiveness of different flow control techniques in a high subsonic (up to Mach 0.8) diffuser, so that the quasi two-dimensional separation and the formation of secondary flow structure can be isolated using a canonical flow field. Supported by Northrop Grumman.
Viscous diffusion of vorticity in unsteady wall layers using the diffusion velocity concept
Strickland, J.H.; Kempka, S.N.; Wolfe, W.P.
1995-03-01
The primary purpose of this paper is to provide a careful evaluation of the diffusion velocity concept with regard to its ability to predict the diffusion of vorticity near a moving wall. A computer code BDIF has been written which simulates the evolution of the vorticity field near a wall of infinite length which is moving in an arbitrary fashion. The simulations generated by this code are found to give excellent results when compared to several exact solutions. We also outline a two-dimensional unsteady viscous boundary layer model which utilizes the diffusion velocity concept and is compatible with vortex methods. A primary goal of this boundary layer model is to minimize the number of vortices generated on the surface at each time step while achieving good resolution of the vorticity field near the wall. Preliminary results have been obtained for simulating a simple two-dimensional laminar boundary layer.
Viscous diffusion of vorticity in unsteady wall layers using the diffusion velocity concept
NASA Astrophysics Data System (ADS)
Strickland, J. H.; Kempka, S. N.; Wolfe, W. P.
The primary purpose of this paper is to provide a careful evaluation of the diffusion velocity concept with regard to its ability to predict the diffusion of vorticity near a moving wall. A computer code BDIF has been written which simulates the evolution of the vorticity field near a wall of infinite length which is moving in an arbitrary fashion. The simulations generated by this code are found to give excellent results when compared to several exact solutions. We also outline a two-dimensional unsteady viscous boundary layer model which utilizes the diffusion velocity concept and is compatible with vortex methods. A primary goal of this boundary layer model is to minimize the number of vortices generated on the surface at each time step while achieving good resolution of the vorticity field near the wall. Preliminary results have been obtained for simulating a simple two-dimensional laminar boundary layer.
Chain length dependence of {alpha}-olefin readsorption in Fischer-Tropsch synthesis
Kuipers, E.W.; Vinkenburg, I.H.; Oosterbeek, H.
1995-03-01
The total product concentration and the paraffin/olefin ratio have been measured up to C{sub 14} for Fischer-Tropsch synthesis on polycrystalline Co foils. The influences due to surface area, a wax coating, the H{sub 2}/CO ratio and flow velocity on concentration and selectivity have been determined. The paraffin/olefin ratio increases exponentially with chain length which is attributed to a chain-length-dependent olefin readsorption mechanism. The probability of readsorption depends on the heat of physisorption of the olefins on the catalyst as well as on their heat of dissolution in and their diffusivity through the product wax. All three factors predict an increase of the paraffin/olefin ratio with carbon number. Physisorption and dissolution are shown to cause a much stronger chain-length dependence than diffusion and will usually dominate. 36 refs., 9 figs.
Multispecies diffusion models: A study of uranyl species diffusion
Liu, Chongxuan; Shang, Jianying; Zachara, John M.
2011-12-14
Rigorous numerical description of multi-species diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication for imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multi-species diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multi-species diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multi-species U(VI) diffusion under steady-state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that a fully coupled diffusion model can be well approximated by a component-based diffusion model, which considers difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be rigorously enforced, if necessary, by adding an artificial kinetic reaction term induced by the charge separation. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from US Department of Energy's Hanford 300A where intragrain diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that has been described using a semi-empirical, multi-rate model
NASA Astrophysics Data System (ADS)
Bo, Xu; Huan-Sheng, Lu; Bo, Liu; Gang, Liu; Mu-Sheng, Wu; Chuying, Ouyang
2016-06-01
The adsorption and diffusion behaviors of alkali and alkaline-earth metal atoms on silicane and silicene are both investigated by using a first-principles method within the frame of density functional theory. Silicane is staler against the metal adatoms than silicene. Hydrogenation makes the adsorption energies of various metal atoms considered in our calculations on silicane significantly lower than those on silicene. Similar diffusion energy barriers of alkali metal atoms on silicane and silicene could be observed. However, the diffusion energy barriers of alkali-earth metal atoms on silicane are essentially lower than those on silicene due to the small structural distortion and weak interaction between metal atoms and silicane substrate. Combining the adsorption energy with the diffusion energy barriers, it is found that the clustering would occur when depositing metal atoms on perfect hydrogenated silicene with relative high coverage. In order to avoid forming a metal cluster, we need to remove the hydrogen atoms from the silicane substrate to achieve the defective silicane. Our results are helpful for understanding the interaction between metal atoms and silicene-based two-dimensional materials. Project supported by the Natural Science Foundation of Jiangxi Province, China (Grant Nos. 20152ACB21014, 20151BAB202006, and 20142BAB212002) and the Fund from the Jiangxi Provincial Educational Committee, China (Grant No. GJJ14254). Bo Xu is also supported by the Oversea Returned Project from the Ministry of Education, China.
Dimensional crossover of free exciton diffusion in etched GaAs wire structures
NASA Astrophysics Data System (ADS)
Bieker, S.; Stühler, R.; Kiessling, T.; Ossau, W.; Molenkamp, L. W.
2015-09-01
We report on low-temperature spatially resolved photoluminescence spectroscopy to study the diffusion of free excitons in etched wire structures of high-purity GaAs. We assess the stationary diffusion profiles by the free exciton second LO-phonon replica to circumvent the inherent interpretation ambiguities of the previously investigated free exciton zero-phonon line. Moreover, strictly resonant optical excitation prevents the distortion of the diffusion profiles due to local heating in the carrier system. We observe a dimensional crossover from 2D to 1D exciton diffusion when the lateral wire width falls below the diffusion length.
Controlling Arc Length in Plasma Welding
NASA Technical Reports Server (NTRS)
Iceland, W. F.
1986-01-01
Circuit maintains arc length on irregularly shaped workpieces. Length of plasma arc continuously adjusted by control circuit to maintain commanded value. After pilot arc is established, contactor closed and transfers arc to workpiece. Control circuit then half-wave rectifies ac arc voltage to produce dc control signal proportional to arc length. Circuit added to plasma arc welding machines with few wiring changes. Welds made with circuit cleaner and require less rework than welds made without it. Beads smooth and free of inclusions.
Measuring Crack Length in Coarse Grain Ceramics
NASA Technical Reports Server (NTRS)
Salem, Jonathan A.; Ghosn, Louis J.
2010-01-01
Due to a coarse grain structure, crack lengths in precracked spinel specimens could not be measured optically, so the crack lengths and fracture toughness were estimated by strain gage measurements. An expression was developed via finite element analysis to correlate the measured strain with crack length in four-point flexure. The fracture toughness estimated by the strain gaged samples and another standardized method were in agreement.
The vector effective length of slot antennas
NASA Astrophysics Data System (ADS)
Wunsch, A. D.
1991-05-01
A suitable definition for the vector effective length of an arbitrary slot receiving antenna placed in a large conducting plane is presented, and a general formula is obtained for its derivation. To derive the definition and formula is, the effective length of a general wire antenna is derived, and then an analogous method is applied to the slot problem. The relationship of the slot's effective length to that for a flat strip wire antenna driven by a specified current is obtained. Formulas for the lengths of some specific common slot antennas are derived from the general expression. The current sampling property of a small straight slot is discussed.
Generalizations of Brandl's theorem on Engel length
NASA Astrophysics Data System (ADS)
Quek, S. G.; Wong, K. B.; Wong, P. C.
2013-04-01
Let n < m be positive integers such that [g,nh] = [g,mh] and assume that n and m are chosen minimal with respect to this property. Let gi = [g,n+ih] where i = 1,2,…,m-n. Then π(g,h) = (g1,…,gm-n) is called the Engel cycle generated by g and h. The length of the Engel cycle is m-n. A group G is said to have Engel length r, if all the length of the Engel cycles in G divides r. In this paper we discuss the Brandl's theorem on Engel length and give some of its generalizations.
Pi Bond Orders and Bond Lengths
ERIC Educational Resources Information Center
Herndon, William C.; Parkanyi, Cyril
1976-01-01
Discusses three methods of correlating bond orders and bond lengths in unsaturated hydrocarbons: the Pauling theory, the Huckel molecular orbital technique, and self-consistent-field techniques. (MLH)
Multiple path length dual polarization interferometry.
Coffey, Paul D; Swann, Marcus J; Waigh, Thomas A; Schedin, Fred; Lu, Jian R
2009-06-22
An optical sensor for quantitative analysis of ultrathin films and adsorbed layers is described. Quantification of both layer thickness and refractive index (density) can be made for in situ and ex-situ coated films. With the use of two polarizations, in situ measurements are made via one path length in a young's interferometer arrangement while ex-situ measurements use multiple path lengths. The multiple path length young's interferometer arrangement is embodied in a solid state waveguide configuration called the multiple path length dual polarization interferometer (MPL-DPI). The technique is demonstrated with ultrathin layers of poly(methylmethacrylate) and human serum albumin.
Extension and Diffusion of DNA in Nanochannels
NASA Astrophysics Data System (ADS)
Tree, Douglas; Wang, Yanwei; Dorfman, Kevin
2012-02-01
Nanochannels are an ideal platform for studying the basic physics of confined polymers, using DNA as the model polymer. While the scaling laws for strong (Odijk) and weak (de Gennes) confinement were established decades ago, recent experiments have illuminated the complex physics arising between these limiting cases. We will first present Monte Carlo simulation data on the extension of DNA in nanochannels. Our results provide clear evidence for the existence of two transition regimes between the Odijk and de Gennes regimes, thereby resolving the apparent contradiction between these scaling theories and the corresponding experiments by Austin and coworkers. We will then present results for the diffusivity of DNA in nanochannels and explain their connection to the different regimes of extension. By using Monte Carlo sampling of the Kirkwood diffusivity and a numerical solution for the confined Green's function, we have calculated the diffusivity for DNA contour lengths ranging over three orders of magnitude and nanochannel sizes over two orders of magnitude. By using a DNA model that accurately reproduces the free solution radius of gyration and diffusivity over a range of molecular weights, we can directly connect the simulation data and experiments.
Multigroup Complex Geometry Neutron Diffusion Code System.
2002-12-18
Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates.more » The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.« less
Multigroup Complex Geometry Neutron Diffusion Code System.
MCCALLIEN, C. W.J.
2002-12-18
Version 01 SNAP-3D is based on SNAP2 and is a one- two- or three-dimensional multigroup diffusion code system. It is primarily intended for neutron diffusion calculations, but it can also carry out gamma-ray calculations if the diffusion approximation is accurate enough. It is suitable for fast and thermal reactor core calculations and for shield calculations. SNAP-3D can solve the multi-group neutron diffusion equations using finite difference methods in (x,y,z), (r,theta,z), (TRI,z), (HEX,z) or (spherical) coordinates. The one-dimensional slab and cylindrical geometries and the two-dimensional (x,y), (r,z), (r,theta), (HEX) and (TRI) are all treated as simple special cases of three-dimensional geometries. Numerous reflective and periodic symmetry options are available and may be used to reduce the number of mesh points necessary to represent the system. Extrapolation lengths can be specified at internal and external boundaries. The problem classes are: 1) eigenvalue search for critical k-effective, 2) eigenvalue search for critical buckling, 3) eigenvalue search for critical time-constant, 4) fixed source problems in which the sources are functions of regions, 5) fixed source problems in which the sources are provided, on disc, for every mesh point and group.
Anomalous Diffusion Near Resonances
Sen, Tanaji; /Fermilab
2010-05-01
Synchro-betatron resonances can lead to emittance growth and the loss of luminosity. We consider the detailed dynamics of a bunch near such a low order resonance driven by crossing angles at the collision points. We characterize the nature of diffusion and find that it is anomalous and sub-diffusive. This affects both the shape of the beam distribution and the time scales for growth. Predictions of a simplified anomalous diffusion model are compared with direct simulations. Transport of particles near resonances is still not a well understood phenomenon. Often, without justification, phase space motion is assumed to be a normal diffusion process although at least one case of anomalous diffusion in beam dynamics has been reported [1]. Here we will focus on the motion near synchro-betatron resonances which can be excited by several means, including beams crossing at an angle at the collision points as in the LHC. We will consider low order resonances which couple the horizontal and longitudinal planes, both for simplicity and to observe large effects over short time scales. While the tunes we consider are not practical for a collider, nonetheless the transport mechanisms we uncover are also likely to operate at higher order resonances.
Diffusive behavior of a greedy traveling salesman
NASA Astrophysics Data System (ADS)
Lipowski, Adam; Lipowska, Dorota
2011-06-01
Using Monte Carlo simulations we examine the diffusive properties of the greedy algorithm in the d-dimensional traveling salesman problem. Our results show that for d=3 and 4 the average squared distance from the origin
Apparatus for diffusion separation
Nierenberg, William A.; Pontius, Rex B.
1976-08-10
1. The method of testing the separation efficiency of porous permeable membranes which comprises causing a stream of a gaseous mixture to flow into contact with one face of a finely porous permeable membrane under such conditions that a major fraction of the mixture diffuses through the membrane, maintaining a rectangular cross section of the gaseous stream so flowing past said membrane, continuously recirculating the gas that diffuses through said membrane and continuously withdrawing the gas that does not diffuse through said membrane and maintaining the volume of said recirculating gas constant by continuously introducing into said continuously recirculating gas stream a mass of gas equivalent to that which is continuously withdrawn from said gas stream and comparing the concentrations of the light component in the entering gas, the withdrawn gas and the recirculated gas in order to determine the efficiency of said membrane.
Evans, R.B. III; Davis, W. Jr.; Sutton, A.L. Jr.
1980-05-01
Experiments on diffusion of /sup 137/Cs in five types of graphite were performed. The document provides a completion of the report that was started and includes a presentation of all of the diffusion data, previously unpublished. Except for data on mass transfer of /sup 137/Cs in the Hawker-Siddeley graphite, analyses of experimental results were initiated but not completed. The mass transfer process of cesium in HS-1-1 graphite at 600 to 1000/sup 0/C in a helium atmosphere is essentially pure diffusion wherein values of (E/epsilon) and ..delta..E of the equation D/epsilon = (D/epsilon)/sub 0/ exp (-..delta..E/RT) are about 4 x 10/sup -2/ cm/sup 2//s and 30 kcal/mole, respectively.
NASA Astrophysics Data System (ADS)
Stachelhaus, Scott L.; Moran, S. Bradley
2012-03-01
A series of 223Ra (t1/2 = 11.4 d) and 224Ra (t1/2 = 3.66 d) measurements made in the Mid-Atlantic Bight yield eddy diffusivity (K) estimates of 1.2 ± 0.3 × 102 m2 s-1 and 1.4 ± 0.2 × 102 m2 s-1, respectively. These results fall in line with previous studies from multiple locations throughout the ocean, in which 224Ra-based eddy diffusivities invariably exceed those determined using 223Ra. Such a pattern conflicts with the Fickian model for eddy diffusivity, in which K is constant. Moreover, this trend runs counter to the length scale-dependent view of eddy diffusion, which suggests that K values estimated using 223Ra should exceed those of 224Ra, because the length scale of the former is greater than that of the latter. A finite mixing-length model based on the concept of differential diffusion is used to provide an explanation for this discrepancy.
A computational kinetic model of diffusion for molecular systems.
Teo, Ivan; Schulten, Klaus
2013-09-28
Regulation of biomolecular transport in cells involves intra-protein steps like gating and passage through channels, but these steps are preceded by extra-protein steps, namely, diffusive approach and admittance of solutes. The extra-protein steps develop over a 10-100 nm length scale typically in a highly particular environment, characterized through the protein's geometry, surrounding electrostatic field, and location. In order to account for solute energetics and mobility of solutes in this environment at a relevant resolution, we propose a particle-based kinetic model of diffusion based on a Markov State Model framework. Prerequisite input data consist of diffusion coefficient and potential of mean force maps generated from extensive molecular dynamics simulations of proteins and their environment that sample multi-nanosecond durations. The suggested diffusion model can describe transport processes beyond microsecond duration, relevant for biological function and beyond the realm of molecular dynamics simulation. For this purpose the systems are represented by a discrete set of states specified by the positions, volumes, and surface elements of Voronoi grid cells distributed according to a density function resolving the often intricate relevant diffusion space. Validation tests carried out for generic diffusion spaces show that the model and the associated Brownian motion algorithm are viable over a large range of parameter values such as time step, diffusion coefficient, and grid density. A concrete application of the method is demonstrated for ion diffusion around and through the Eschericia coli mechanosensitive channel of small conductance ecMscS.
NASA Astrophysics Data System (ADS)
Ingrin, Jannick; Zhang, Peipei
2016-04-01
Hydrogen mobility in gem quality zircon single crystals from Madagascar was investigated through H-D exchange experiments. Thin slices were annealed in a horizontal furnace flushed with a gas mixture of Ar/D2(10%) under ambient pressure between 900 ° C to 1150 ° C. FTIR analyses were performed on oriented slices before and after each annealing run. H diffusion along [100] and [010] follow the same diffusion law D = D0exp[-E /RT], with log D0 = 2.24 ± 1.57 (in m2/s) and E = 374 ± 39 kJ/mol. H diffusion along [001] follows a slightly more rapid diffusion law, with log D0 = 1.11 ± 0.22 (in m2/s) and E = 334 ± 49 kJ/mol. H diffusion in zircon has much higher activation energy and slower diffusivity than other NAMs below 1150 ° C even iron-poor garnets which are known to be among the slowest (Blanchard and Ingrin, 2004; Kurka et al. 2005). During H-D exchange zircon incorporates also deuterium. This hydration reaction involves uranium reduction as it is shown from the exchange of U5+ and U4+ characteristic bands in the near infrared region during annealing. It is the first time that a hydration reaction U5+ + OH‑ = U4+ + O2‑ + 1/2H2, is experimentally reported. The kinetics of deuterium incorporation is slightly slower than hydrogen diffusion, suggesting that the reaction is limited by hydrogen mobility. Hydrogen isotopic memory of zircon is higher than other NAMs. Zircons will be moderately retentive of H signatures at mid-crustal metamorphic temperatures. At 500 ° C, a zircon with a radius of 300 μm would retain its H isotopic signature over more than a million years. However, a zircon is unable to retain this information for geologically significant times under high-grade metamorphism unless the grain size is large enough. Refrences Blanchard, M. and Ingrin, J. (2004) Hydrogen diffusion in Dora Maira pyrope. Physics and Chemistry of Minerals, 31, 593-605. Kurka, A., Blanchard, M. and Ingrin, J. (2005) Kinetics of hydrogen extraction and deuteration in
NASA Astrophysics Data System (ADS)
Ingrin, Jannick; Zhang, Peipei
2016-04-01
Hydrogen mobility in gem quality zircon single crystals from Madagascar was investigated through H-D exchange experiments. Thin slices were annealed in a horizontal furnace flushed with a gas mixture of Ar/D2(10%) under ambient pressure between 900 ° C to 1150 ° C. FTIR analyses were performed on oriented slices before and after each annealing run. H diffusion along [100] and [010] follow the same diffusion law D = D0exp[-E /RT], with log D0 = 2.24 ± 1.57 (in m2/s) and E = 374 ± 39 kJ/mol. H diffusion along [001] follows a slightly more rapid diffusion law, with log D0 = 1.11 ± 0.22 (in m2/s) and E = 334 ± 49 kJ/mol. H diffusion in zircon has much higher activation energy and slower diffusivity than other NAMs below 1150 ° C even iron-poor garnets which are known to be among the slowest (Blanchard and Ingrin, 2004; Kurka et al. 2005). During H-D exchange zircon incorporates also deuterium. This hydration reaction involves uranium reduction as it is shown from the exchange of U5+ and U4+ characteristic bands in the near infrared region during annealing. It is the first time that a hydration reaction U5+ + OH- = U4+ + O2- + 1/2H2, is experimentally reported. The kinetics of deuterium incorporation is slightly slower than hydrogen diffusion, suggesting that the reaction is limited by hydrogen mobility. Hydrogen isotopic memory of zircon is higher than other NAMs. Zircons will be moderately retentive of H signatures at mid-crustal metamorphic temperatures. At 500 ° C, a zircon with a radius of 300 μm would retain its H isotopic signature over more than a million years. However, a zircon is unable to retain this information for geologically significant times under high-grade metamorphism unless the grain size is large enough. Refrences Blanchard, M. and Ingrin, J. (2004) Hydrogen diffusion in Dora Maira pyrope. Physics and Chemistry of Minerals, 31, 593-605. Kurka, A., Blanchard, M. and Ingrin, J. (2005) Kinetics of hydrogen extraction and deuteration in
Code of Federal Regulations, 2010 CFR
2010-01-01
... 7 Agriculture 2 2010-01-01 2010-01-01 false Length. 29.6024 Section 29.6024 Agriculture Regulations of the Department of Agriculture AGRICULTURAL MARKETING SERVICE (Standards, Inspections, Marketing... INSPECTION Standards Definitions § 29.6024 Length. The linear measurement of cured tobacco leaves from...
Food-chain length and adaptive foraging.
Kondoh, Michio; Ninomiya, Kunihiko
2009-09-01
Food-chain length, the number of feeding links from the basal species to the top predator, is a key characteristic of biological communities. However, the determinants of food-chain length still remain controversial. While classical theory predicts that food-chain length should increase with increasing resource availability, empirical supports of this prediction are limited to those from simple, artificial microcosms. A positive resource availability-chain length relationship has seldom been observed in natural ecosystems. Here, using a theoretical model, we show that those correlations, or no relationships, may be explained by considering the dynamic food-web reconstruction induced by predator's adaptive foraging. More specifically, with foraging adaptation, the food-chain length becomes relatively invariant, or even decreases with increasing resource availability, in contrast to a non-adaptive counterpart where chain length increases with increasing resource availability; and that maximum chain length more sharply decreases with resource availability either when species richness is higher or potential link number is larger. The interactive effects of resource availability, adaptability and community complexity may explain the contradictory effects of resource availability in simple microcosms and larger ecosystems. The model also explains the recently reported positive effect of habitat size on food-chain length as a result of increased species richness and/or decreased connectance owing to interspecific spatial segregation.
Multispecies diffusion models: A study of uranyl species diffusion
NASA Astrophysics Data System (ADS)
Liu, Chongxuan; Shang, Jianying; Zachara, John M.
2011-12-01
Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A
Scaling laws in the diffusion limited aggregation of persistent random walkers
NASA Astrophysics Data System (ADS)
Nogueira, Isadora R.; Alves, Sidiney G.; Ferreira, Silvio C.
2011-11-01
We investigate the diffusion limited aggregation of particles executing persistent random walks. The scaling properties of both random walks and large aggregates are presented. The aggregates exhibit a crossover between ballistic and diffusion limited aggregation models. A non-trivial scaling relation ξ∼ℓ1.25 between the characteristic size ξ, in which the cluster undergoes a morphological transition, and the persistence length ℓ, between ballistic and diffusive regimes of the random walk, is observed.
Lateral Diffusion Length Changes in HgCdTe Detectors in a Proton Environment
NASA Technical Reports Server (NTRS)
Hubbs, John E.; Marshall, Paul W.; Marshall, Cheryl J.; Gramer, Mark E.; Maestas, Diana; Garcia, John P.; Dole, Gary A.; Anderson, Amber A.
2007-01-01
This paper presents a study of the performance degradation in a proton environment of very long wavelength infrared (VLWIR) HgCdTe detectors. The energy dependence of the Non-Ionizing Energy Loss (NIEL) in HgCdTe provides a framework for estimating the responsivity degradation in VLWIR HgCdTe due to on orbit exposure from protons. Banded detector arrays that have different detector designs were irradiated at proton energies of 7, 12, and 63 MeV. These banded detector arrays allovedin sight into how the fundamental detector parameters degraded in a proton environment at the three different proton energies. Measured data demonstrated that the detector responsivity degradation at 7 MeV is 5 times larger than the degradation at 63 MeV. The comparison of the responsivity degradation at the different proton energies suggests that the atomic Columbic interaction of the protons with the HgCdTe detector is likely the primary mechanism responsible for the degradation in responsivity at proton energies below 30 MeV.
Biased diffusion in three-dimensional comb-like structures
Berezhkovskii, Alexander M.; Dagdug, Leonardo; Bezrukov, Sergey M.
2015-01-01
In this paper, we study biased diffusion of point Brownian particles in a three-dimensional comb-like structure formed by a main cylindrical tube with identical periodic cylindrical dead ends. It is assumed that the dead ends are thin cylinders whose radius is much smaller than both the radius of the main tube and the distance between neighboring dead ends. It is also assumed that in the main tube, the particle, in addition to its regular diffusion, moves with a uniform constant drift velocity. For such a system, we develop a formalism that allows us to derive analytical expressions for the Laplace transforms of the first two moments of the particle displacement along the main tube axis. Inverting these Laplace transforms numerically, one can find the time dependences of the two moments for arbitrary values of both the drift velocity and the dead-end length, including the limiting case of infinitely long dead ends, where the unbiased diffusion becomes anomalous at sufficiently long times. The expressions for the Laplace transforms are used to find the effective drift velocity and diffusivity of the particle as functions of its drift velocity in the main tube and the tube geometric parameters. As might be expected from common-sense arguments, the effective drift velocity monotonically decreases from the initial drift velocity to zero as the dead-end length increases from zero to infinity. The effective diffusivity is a more complex, non-monotonic function of the dead-end length. As this length increases from zero to infinity, the effective diffusivity first decreases, reaches a minimum, and then increases approaching a plateau value which is proportional to the square of the particle drift velocity in the main tube. PMID:25854222
Diao, Zhao Yu; Hao, Ce; Wang, Ze Xin; Dong, Chen Chu; Pang, Xue Hui
2005-06-30
The adsorption, vibration, and diffusion of O atoms on Rh(100), Rh(111), Rh(110), and Rh(711) surfaces were studied using the 5-parameter Morse potential (5-MP) of interaction between an adatom and a metal surface cluster. Our theoretical calculations provide information about adsorption sites, adsorption geometry, binding energy, and eigenvibration. Our results agreed very well with experimental results. Four major results follow. First, the theoretical calculation showed that on the Rh(100) surface the 4-fold hollow site is the only adsorption site. Second, on the O-Rh(111) system, the 3-fold hollow site is the stable adsorption site. Third, on the Rh(110) surface at low coverage, the O atom is adsorbed preferably on the pseudo-3-fold site, while with increasing coverage, the O atom is adsorbed not only on the pseudo-3-fold site but also on the long bridge site. Last, as for the Rh(711) stepped surface, the 3-fold site on the (111) step is metastable, whereas the 4-fold sites on the (100) terrace are stable, which enables the O atoms to diffuse easily from the 3-fold to the 4-fold site at low coverage. Therefore, the O atoms are adsorbed preferrably on the stable 4-fold sites of the (100) terrace and then later as coverage increases on the metastable 3-fold site of the (110) step.
Instabilities and patterns in coupled reaction-diffusion layers
NASA Astrophysics Data System (ADS)
Catllá, Anne J.; McNamara, Amelia; Topaz, Chad M.
2012-02-01
We study instabilities and pattern formation in reaction-diffusion layers that are diffusively coupled. For two-layer systems of identical two-component reactions, we analyze the stability of homogeneous steady states by exploiting the block symmetric structure of the linear problem. There are eight possible primary bifurcation scenarios, including a Turing-Turing bifurcation that involves two disparate length scales whose ratio may be tuned via the interlayer coupling. For systems of n-component layers and nonidentical layers, the linear problem's block form allows approximate decomposition into lower-dimensional linear problems if the coupling is sufficiently weak. As an example, we apply these results to a two-layer Brusselator system. The competing length scales engineered within the linear problem are readily apparent in numerical simulations of the full system. Selecting a 2:1 length-scale ratio produces an unusual steady square pattern.
Instabilities and patterns in coupled reaction-diffusion layers.
Catllá, Anne J; McNamara, Amelia; Topaz, Chad M
2012-02-01
We study instabilities and pattern formation in reaction-diffusion layers that are diffusively coupled. For two-layer systems of identical two-component reactions, we analyze the stability of homogeneous steady states by exploiting the block symmetric structure of the linear problem. There are eight possible primary bifurcation scenarios, including a Turing-Turing bifurcation that involves two disparate length scales whose ratio may be tuned via the interlayer coupling. For systems of n-component layers and nonidentical layers, the linear problem's block form allows approximate decomposition into lower-dimensional linear problems if the coupling is sufficiently weak. As an example, we apply these results to a two-layer Brusselator system. The competing length scales engineered within the linear problem are readily apparent in numerical simulations of the full system. Selecting a sqrt[2]:1 length-scale ratio produces an unusual steady square pattern. PMID:22463307
Instabilities and patterns in coupled reaction-diffusion layers.
Catllá, Anne J; McNamara, Amelia; Topaz, Chad M
2012-02-01
We study instabilities and pattern formation in reaction-diffusion layers that are diffusively coupled. For two-layer systems of identical two-component reactions, we analyze the stability of homogeneous steady states by exploiting the block symmetric structure of the linear problem. There are eight possible primary bifurcation scenarios, including a Turing-Turing bifurcation that involves two disparate length scales whose ratio may be tuned via the interlayer coupling. For systems of n-component layers and nonidentical layers, the linear problem's block form allows approximate decomposition into lower-dimensional linear problems if the coupling is sufficiently weak. As an example, we apply these results to a two-layer Brusselator system. The competing length scales engineered within the linear problem are readily apparent in numerical simulations of the full system. Selecting a sqrt[2]:1 length-scale ratio produces an unusual steady square pattern.
Revisiting blob theory for DNA diffusivity in slitlike confinement
Dai, Liang; Tree, Douglas R.; van der Maarel, Johan R. C.; Dorfman, Kevin D.; Doyle, Patrick S.
2013-01-01
Blob theory has been widely applied to describe polymer conformations and dynamics in nanoconfinement. In slit confinement, blob theory predicts a scaling exponent of 2/3 for polymer diffusivity as a function of slit height, yet a large body of experimental studies using DNA produce a scaling exponent significantly less than 2/3. In this work, we develop a theory that predicts that this discrepancy occurs because the segment correlation function for a semiflexible chain such as DNA does not follow the Flory exponent for length scales smaller than the persistence length. We show that these short length scale effects contribute significantly to the scaling for the DNA diffusivity, but do not appreciably affect the scalings for static properties. Our theory is fully supported by Monte Carlo simulations, quantitative agreement with DNA experiments, and the results reconcile this outstanding problem for confined polymers. PMID:23679643
Kekenes-Huskey, Peter M; Eun, Changsun; McCammon, J A
2015-09-01
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.
Sathiyanarayanan, Rajesh 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 switching mechanism. The substitutional nitrogen atom shows a preference for diffusion through the doubly positive oxygen vacancy-mediated mechanism. Furthermore, we have investigated the impact of nitrogen atoms on the diffusion barriers of oxygen and hydrogen interstitials in m-HfO{sub 2}. Our results show that nitrogen incorporation has a significant impact on the barriers for oxygen and hydrogen diffusion: nitrogen atoms attract oxygen and hydrogen interstitials diffusing in the vicinity, thereby slowing down (reducing) their diffusion (diffusion length)
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
NASA Astrophysics Data System (ADS)
Kekenes-Huskey, Peter M.; Eun, Changsun; McCammon, J. A.
2015-09-01
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.
Crystal structure and growth fabric of length-fast chalcedony
NASA Astrophysics Data System (ADS)
Miehe, G.; Graetsch, H.; Flörke, O. W.
1984-04-01
Chalcedony from Brazilian agates, has been investigated by using transmission-electron microscopy, X-ray-diffraction, thermogravimetry and optical techniques. The quartz fibers of length-fast chalcedony are composed of submicroscopical polysynthetic, lamellar-twinned right- and lefthanded crystals, according to the Brazil law. This very narrow twinning causes 3 systems of diffuse diffraction streaks (corresponding to the three-fold symmetry) parallel to <10.1>, very frequently possessing an intensity maximum at h±1/2, k, l±1/2. These extra reflections were detected both in electron- and X-ray-diffraction patterns. Wall-lining chalcedony is parallel fibrous consisting of smaller crystallites with a higher total water content (0.06±0.01 μm and 1.2±0.1 wt %) than spherulitic chalcedony in horizontal agate bands (ca. 0.1 μm and 0.7±0.1 wt%).
Diffusion Driven Combustion Waves in Porous Media
NASA Technical Reports Server (NTRS)
Aldushin, A. P.; Matkowsky, B. J.
2000-01-01
Filtration of gas containing oxidizer, to the reaction zone in a porous medium, due, e.g., to a buoyancy force or to an external pressure gradient, leads to the propagation of Filtration combustion (FC) waves. The exothermic reaction occurs between the fuel component of the solid matrix and the oxidizer. In this paper, we analyze the ability of a reaction wave to propagate in a porous medium without the aid of filtration. We find that one possible mechanism of propagation is that the wave is driven by diffusion of oxidizer from the environment. The solution of the combustion problem describing diffusion driven waves is similar to the solution of the Stefan problem describing the propagation of phase transition waves, in that the temperature on the interface between the burned and unburned regions is constant, the combustion wave is described by a similarity solution which is a function of the similarity variable x/square root of(t) and the wave velocity decays as 1/square root of(t). The difference between the two problems is that in the combustion problem the temperature is not prescribed, but rather, is determined as part of the solution. We will show that the length of samples in which such self-sustained combustion waves can occur, must exceed a critical value which strongly depends on the combustion temperature T(sub b). Smaller values of T(sub b) require longer sample lengths for diffusion driven combustion waves to exist. Because of their relatively small velocity, diffusion driven waves are considered to be relevant for the case of low heat losses, which occur for large diameter samples or in microgravity conditions, Another possible mechanism of porous medium combustion describes waves which propagate by consuming the oxidizer initially stored in the pores of the sample. This occurs for abnormally high pressure and gas density. In this case, uniformly propagating planar waves, which are kinetically controlled, can propagate, Diffusion of oxidizer decreases
Pulsed Turbulent Diffusion Flames in a Coflow
NASA Astrophysics Data System (ADS)
Usowicz, James E.; Hermanson, James C.; Johari, Hamid
2000-11-01
Fully modulated diffusion flames were studied experimentally in a co-flow combustor using unheated ethylene fuel at atmospheric pressure. A fast solenoid valve was used to fully modulate (completely shut-off) the fuel flow. The fuel was released from a 2 mm diameter nozzle with injection times ranging from 2 to 750 ms. The jet exit Reynolds number was 2000 to 10,000 with a co-flow air velocity of up to 0.02 times the jet exit velocity. Establishing the effects of co-flow for the small nozzle and short injection times is required for future tests of pulsed flames under microgravity conditions. The very short injection times resulted in compact, burning puffs. The compact puffs had a mean flame length as little as 20flame for the same Reynolds number. As the injection time and fuel volume increased, elongated flames resembling starting jets resulted with a flame length comparable to that of a steady flame. For short injection times, the addition of an air co-flow resulted in an increase in flame length of nearly 50flames with longer injection times was correspondingly smaller. The effects of interaction of successive pulses on the flame length were most pronounced for the compact puffs. The emissions of unburned hydrocarbon and NOx from the pulsed flames were examined.
ERIC Educational Resources Information Center
Sack, Jeff
2005-01-01
OsmoBeaker is a CD-ROM designed to enhance the learning of diffusion and osmosis by presenting interactive experimentation to the student. The software provides several computer simulations that take the student through different scenarios with cells, having different concentrations of solutes in them.
NASA Astrophysics Data System (ADS)
Matuszak, Daniel
Diffusion is the migration of molecules in the reference frame of a system's center of mass and it is a physical process that occurs in all chemical and biological systems. Diffusion generally involves intermolecular interactions that lead to clustering, adsorption, and phase transitions; as such, it is difficult to describe theoretically on a molecular level in systems containing both intermolecular repulsions and attractions. This work describes a simple thermodynamic approach that accounts for intermolecular attractions and repulsions (much like how the van der Waals equation does) to model and help provide an understanding of diffusion. The approach is an extension of the equilibrium Lattice Density Functional Theory of Aranovich and Donohue; it was developed with Mason and Lonsdale's guidelines on how to construct and test a transport theory. In the framework of lattice fluids, this new approach gives (a) correct equilibrium limits, (b) Fickian behavior for non-interacting systems, (c) correct departures from Fickian behavior in non-ideal systems, (d) the correct Maxwell-Stefan formulation, (e) symmetry behavior upon re-labeling species, (f) reasonable non-equilibrium phase behavior, (g) agreement with Molecular Dynamics simulations, (h) agreement with the theory of non-equilibrium thermodynamics, (i) a vanishing diffusive flux at the critical point, and (j) other qualitatively-correct behaviors when applied to problems in porous membranes and in packed beds.
Water vapor diffusion membranes
NASA Technical Reports Server (NTRS)
Holland, F. F., Jr.; Smith, J. K.
1974-01-01
The program is reported, which was designed to define the membrane technology of the vapor diffusion water recovery process and to test this technology using commercially available or experimental membranes. One membrane was selected, on the basis of the defined technology, and was subjected to a 30-day demonstration trial.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.; Watson, E. B.
2006-12-01
Diffusion of Ti under anhydrous conditions at 1 atmosphere and under fluid-present conditions at 1.1-1.2 GPa has been measured in natural zircon. The source of diffusant for 1-atm experiments was a ZrO2- TiO2-ZrSiO4 mixture, with experiments run in Pt capsules. Diffusion experiments conducted in the presence of H2O-CO2 fluid were run in a piston-cylinder apparatus, using a source of ground TiO2, ZrSiO4 and SiO2, with oxalic acid added to produce H2O-CO2 vapor and partially melt the solid source material, yielding an assemblage of rutile + zircon + melt + vapor. Resonant nuclear reaction analysis (NRA) with the nuclear reaction ^{48}Ti(p,Γ)^{49}V was used to measure diffusion profiles for both sets of experiments. The following Arrhenius relation was obtained for Ti diffusion normal to c over the temperature range 1350-1550C at one atmosphere: DTi = 3.3x102 exp(-754 ± 56 kJ mol-1 /RT) m2sec-1 Ti diffusivities were found to be similar for experiments run under fluid-present conditions. A fit to all of the data yields the Arrhenius relation D = 1.3x103 exp(-741 ± 46 kJ mol-1 /RT) m2sec-1. These data suggest that zircon should be extremely retentive of Ti chemical signatures, indicating that the recently developed Ti-in-zircon crystallization geothermometer (Watson and Harrison, 2005; Watson et al., 2006) will be quite robust in preserving temperatures of zircon crystallization. Titanium diffuses somewhat faster in zircon than larger tetravalent cations U, Th, and Hf, but considerably more slowly than Pb, the REE, and oxygen; hence Ti crystallization temperatures may be retained under circumstances when radiometric ages or other types of geochemical information are lost. Watson EB, Harrison TM (2005) Science 308, 841-844. Watson EB, Wark DA, Thomas JB (2006) CMP(in press).
Photoconductivity of PbSe quantum-dot solids: dependence on ligand anchor group and length.
Gao, Yunan; Aerts, Michiel; Sandeep, C S Suchand; Talgorn, Elise; Savenije, Tom J; Kinge, Sachin; Siebbeles, Laurens D A; Houtepen, Arjan J
2012-11-27
The assembly of quantum dots is an essential step toward many of their potential applications. To form conductive solids from colloidal quantum dots, ligand exchange is required. Here we study the influence of ligand replacement on the photoconductivity of PbSe quantum-dot solids, using the time-resolved microwave conductivity technique. Bifunctional replacing ligands with amine, thiol, or carboxylic acid anchor groups of various lengths are used to assemble quantum solids via a layer-by-layer dip-coating method. We find that when the ligand lengths are the same, the charge carrier mobility is higher in quantum-dot solids with amine ligands, while in quantum-dot solids with thiol ligands the charge carrier lifetime is longer. If the anchor group is the same, the charge carrier mobility is ligand length dependent. The results show that the diffusion length of charge carriers can reach several hundred nanometers.
Intron Length Coevolution across Mammalian Genomes
Keane, Peter A.; Seoighe, Cathal
2016-01-01
Although they do not contribute directly to the proteome, introns frequently contain regulatory elements and can extend the protein coding potential of the genome through alternative splicing. For some genes, the contribution of introns to the time required for transcription can also be functionally significant. We have previously shown that intron length in genes associated with developmental patterning is often highly conserved. In general, sets of genes that require precise coordination in the timing of their expression may be sensitive to changes in transcript length. A prediction of this hypothesis is that evolutionary changes in intron length, when they occur, may be correlated between sets of coordinately expressed genes. To test this hypothesis, we analyzed intron length coevolution in alignments from nine eutherian mammals. Overall, genes that belong to the same protein complex or that are coexpressed were significantly more likely to show evidence of intron length coevolution than matched, randomly sampled genes. Individually, protein complexes involved in the cell cycle showed the strongest evidence of coevolution of intron lengths and clusters of coexpressed genes enriched for cell cycle genes also showed significant evidence of intron length coevolution. Our results reveal a novel aspect of gene coevolution and provide a means to identify genes, protein complexes and biological processes that may be particularly sensitive to changes in transcriptional dynamics. PMID:27550903
Intron Length Coevolution across Mammalian Genomes.
Keane, Peter A; Seoighe, Cathal
2016-10-01
Although they do not contribute directly to the proteome, introns frequently contain regulatory elements and can extend the protein coding potential of the genome through alternative splicing. For some genes, the contribution of introns to the time required for transcription can also be functionally significant. We have previously shown that intron length in genes associated with developmental patterning is often highly conserved. In general, sets of genes that require precise coordination in the timing of their expression may be sensitive to changes in transcript length. A prediction of this hypothesis is that evolutionary changes in intron length, when they occur, may be correlated between sets of coordinately expressed genes. To test this hypothesis, we analyzed intron length coevolution in alignments from nine eutherian mammals. Overall, genes that belong to the same protein complex or that are coexpressed were significantly more likely to show evidence of intron length coevolution than matched, randomly sampled genes. Individually, protein complexes involved in the cell cycle showed the strongest evidence of coevolution of intron lengths and clusters of coexpressed genes enriched for cell cycle genes also showed significant evidence of intron length coevolution. Our results reveal a novel aspect of gene coevolution and provide a means to identify genes, protein complexes and biological processes that may be particularly sensitive to changes in transcriptional dynamics. PMID:27550903
Zero-point length from string fluctuations
NASA Astrophysics Data System (ADS)
Fontanini, Michele; Spallucci, Euro; Padmanabhan, T.
2006-02-01
One of the leading candidates for quantum gravity, viz. string theory, has the following features incorporated in it. (i) The full spacetime is higher-dimensional, with (possibly) compact extra-dimensions; (ii) there is a natural minimal length below which the concept of continuum spacetime needs to be modified by some deeper concept. On the other hand, the existence of a minimal length (zero-point length) in four-dimensional spacetime, with obvious implications as UV regulator, has been often conjectured as a natural aftermath of any correct quantum theory of gravity. We show that one can incorporate the apparently unrelated pieces of information-zero-point length, extra-dimensions, string T-duality-in a consistent framework. This is done in terms of a modified Kaluza-Klein theory that interpolates between (high-energy) string theory and (low-energy) quantum field theory. In this model, the zero-point length in four dimensions is a "virtual memory" of the length scale of compact extra-dimensions. Such a scale turns out to be determined by T-duality inherited from the underlying fundamental string theory. From a low energy perspective short distance infinities are cutoff by a minimal length which is proportional to the square root of the string slope, i.e., √{α‧}. Thus, we bridge the gap between the string theory domain and the low energy arena of point-particle quantum field theory.
Minimization of dependency length in written English.
Temperley, David
2007-11-01
Gibson's Dependency Locality Theory (DLT) [Gibson, E. 1998. Linguistic complexity: locality of syntactic dependencies. Cognition, 68, 1-76; Gibson, E. 2000. The dependency locality theory: A distance-based theory of linguistic complexity. In A. Marantz, Y. Miyashita, & W. O'Neil (Eds.), Image, Language, Brain (pp. 95-126). Cambridge, MA: MIT Press.] proposes that the processing complexity of a sentence is related to the length of its syntactic dependencies: longer dependencies are more difficult to process. The DLT is supported by a variety of phenomena in language comprehension. This raises the question: Does language production reflect a preference for shorter dependencies as well? I examine this question in a corpus study of written English, using the Wall Street Journal portion of the Penn Treebank. The DLT makes a number of predictions regarding the length of constituents in different contexts; these predictions were tested in a series of statistical tests. A number of findings support the theory: the greater length of subject noun phrases in inverted versus uninverted quotation constructions, the greater length of direct-object versus subject NPs, the greater length of postmodifying versus premodifying adverbial clauses, the greater length of relative-clause subjects within direct-object NPs versus subject NPs, the tendency towards "short-long" ordering of postmodifying adjuncts and coordinated conjuncts, and the shorter length of subject NPs (but not direct-object NPs) in clauses with premodifying adjuncts versus those without.
Simulations of singlet exciton diffusion in organic semiconductors: a review
Bjorgaard, Josiah A.; Kose, Muhammet Erkan
2014-12-22
Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulationmore » results with those of experiment.« less
Role of pressure diffusion in non-homogeneous shear flows
NASA Technical Reports Server (NTRS)
Demuren, A. O.; Lele, S. K.; Durbin, P.
1994-01-01
A non-local model is presented for approximating the pressure diffusion in calculations of turbulent free shear and boundary layer flows. It is based on the solution of an elliptic relaxation equation which enables local diffusion sources to be distributed over lengths of the order of the integral scale. The pressure diffusion model was implemented in a boundary layer code within the framework of turbulence models based on both the kappa-epsilon-(bar)upsilon(exp 2) system of equations and the full Reynolds stress equations. Model computations were performed for mixing layers and boundary layer flows. In each case, the pressure diffusion model enabled the well-known free-stream edge singularity problem to be eliminated. There was little effect on near-wall properties. Computed results agreed very well with experimental and DNS data for the mean flow velocity, the turbulent kinetic energy, and the skin-friction coefficient.
Erbium diffusion in silicon dioxide
Lu Yingwei; Julsgaard, B.; Petersen, M. Christian; Jensen, R. V. Skougaard; Pedersen, T. Garm; Pedersen, K.; Larsen, A. Nylandsted
2010-10-04
Erbium diffusion in silicon dioxide layers prepared by magnetron sputtering, chemical vapor deposition, and thermal growth has been investigated by secondary ion mass spectrometry, and diffusion coefficients have been extracted from simulations based on Fick's second law of diffusion. Erbium diffusion in magnetron sputtered silicon dioxide from buried erbium distributions has in particular been studied, and in this case a simple Arrhenius law can describe the diffusivity with an activation energy of 5.3{+-}0.1 eV. Within a factor of two, the erbium diffusion coefficients at a given temperature are identical for all investigated matrices.
Instrumentation in Diffuse Optical Imaging
Zhang, Xiaofeng
2014-01-01
Diffuse optical imaging is highly versatile and has a very broad range of applications in biology and medicine. It covers diffuse optical tomography, fluorescence diffuse optical tomography, bioluminescence, and a number of other new imaging methods. These methods of diffuse optical imaging have diversified instrument configurations but share the same core physical principle – light propagation in highly diffusive media, i.e., the biological tissue. In this review, the author summarizes the latest development in instrumentation and methodology available to diffuse optical imaging in terms of system architecture, light source, photo-detection, spectral separation, signal modulation, and lastly imaging contrast. PMID:24860804
Automatic Control Of Length Of Welding Arc
NASA Technical Reports Server (NTRS)
Iceland, William F.
1991-01-01
Nonlinear relationships among current, voltage, and length stored in electronic memory. Conceptual microprocessor-based control subsystem maintains constant length of welding arc in gas/tungsten arc-welding system, even when welding current varied. Uses feedback of current and voltage from welding arc. Directs motor to set position of torch according to previously measured relationships among current, voltage, and length of arc. Signal paths marked "calibration" or "welding" used during those processes only. Other signal paths used during both processes. Control subsystem added to existing manual or automatic welding system equipped with automatic voltage control.
Boundary-layer analysis for the convection/diffusion transition in dendritic growth
NASA Technical Reports Server (NTRS)
Glicksman, M. E.; Huang, S. C.
1981-01-01
The supercooling dependence of dendritic growth kinetics under the influence of convective heat transport is investigated theoretically and experimentally with emphasis on theoretical prediction of the supercooling level at which the transition from diffusion-controlled to convection-controlled dendritic growth occurs. It is shown that the crossover between diffusive and convective transport depends on the relative thickness of the Stefan length compared with the thermal boundary layer. These lengths become equal at a supercooling which may be calculated from diffusion theory and fluid mechanics. It is also shown that the crossover supercooling varies weakly with the gravitational acceleration, melt viscosity, and the volumetric expansion coefficient.
LLNL SMP Light Diffuser Fabrication and Preliminary Data
Small IV, W
2006-06-02
We are developing a cylindrical light diffuser using shape memory polymer (SMP) whose diameter, length, stiffness, and diffusion profile can be tailored to suit a particular application. The cylindrical SMP diffuser is made by casting SMP around the end of a glass optical fiber using a teflon tube as the casting mold, and abrading the cured SMP surface to cause the light to leak radially outward. The inner diameter of the casting tube is slightly larger than the fiber diameter. A smaller teflon tube is positioned over the fiber (between the fiber and the casting tube) to approximately center the fiber tip in the casting tube. As the SMP cures, it bonds with the optical fiber, creating a strong joint without the need for additional adhesives or mechanical fixtures. A close-up of the SMP-fiber joint and the finished SMP diffuser are shown in Fig.1. The SMP formulation (developed in-house) was specifically designed to be optically transparent in the visible and near-infrared regions; the spectral absorption of the SMP is shown in Fig. 2. The low absorption is important because (1) it allows the light to travel the length of the diffuser without suffering excessive loss due to absorption and (2) it permits delivery of up to 7 W (300 {micro}m SMP rod on 100 {micro}m core multimode fiber) of laser power into the diffuser without damaging the diffuser. SMP is a good wave guiding material with a refractive index of approximately 1.5. Also, the SMP stiffness can be tailored from stiff (e.g. acrylic, Ea {approx} 10{sup 9} Pa) to very flexible (e.g. silicon rubber, Ea {approx} 10{sup 6} Pa). Finally, since SMP can self-actuate, the SMP diffuser could be designed to actuate into a shape other than a straight rod (e.g. 2D or 3D coil).
Method of continuously determining crack length
NASA Technical Reports Server (NTRS)
Prabhakaran, Ramamurthy (Inventor); Lopez, Osvaldo F. (Inventor)
1993-01-01
The determination of crack lengths in an accurate and straight forward manner is very useful in studying and preventing load created flaws and cracks. A crack length sensor according to the present invention is fabricated in a rectangular or other geometrical form from a conductive powder impregnated polymer material. The long edges of the sensor are silver painted on both sides and the sensor is then bonded to a test specimen via an adhesive having sufficient thickness to also serve as an insulator. A lead wire is connected to each of the two outwardly facing silver painted edges. The resistance across the sensor changes as a function of the crack length in the specimen and sensor. The novel aspect of the present invention includes the use of relatively uncomplicated sensors and instrumentation to effectively measure the length of generated cracks.
Mixing lengths scaling in a gravity flow
Ecke, Robert E; Rivera, Micheal; Chen, Jun; Ecke, Robert E
2009-01-01
We present an experimental study of the mixing processes in a gravity current. The turbulent transport of momentum and buoyancy can be described in a very direct and compact form by a Prandtl mixing length model [1]: the turbulent vertical fluxes of momentum and buoyancy are found to scale quadraticatly with the vertical mean gradients of velocity and density. The scaling coefficient is the square of the mixing length, approximately constant over the mixing zone of the stratified shear layer. We show in this paper how, in different flow configurations, this length can be related to the shear length of the flow {radical}({var_epsilon}/{partial_derivative}{sub z}u{sup 3}).
Carbon Nanotubes: Measuring Dispersion and Length
Fagan, Jeffrey A.; Bauer, Barry J.; Hobbie, Erik K.; Becker, Matthew L.; Hight-Walker, Angela; Simpson, Jeffrey R.; Chun, Jaehun; Obrzut, Jan; Bajpai, Vardhan; Phelan, Fred R.; Simien, Daneesh; Yeon Huh, Ji; Migler, Kalman B.
2011-03-01
Advanced technological uses of single-wall carbon nanotubes (SWCNTs) rely on the production of single length and chirality populations that are currently only available through liquid phase post processing. The foundation of all of these processing steps is the attainment of individualized nanotube dispersion in solution; an understanding of the collodial properties of the dispersed SWCNTs can then be used to designed appropriate conditions for separations. In many instances nanotube size, particularly length, is especially active in determining the achievable properties from a given population, and thus there is a critical need for measurement technologies for both length distribution and effective separation techniques. In this Progress Report, we document the current state of the art for measuring dispersion and length populations, including separations, and use examples to demonstrate the desirability of addressing these parameters.
Conditions for a split diffusion flame
Hertzberg, J.R.
1997-05-01
An unusual phenomenon has been observed in a methane jet diffusion flame subjected to axial acoustic forcing. At specific excitation frequencies and amplitudes, the driven flame splits into a central jet and one or two side jets. The splitting is accompanied by a partial detachment of the flame from the nozzle exit, a shortening of the flame by a factor of 2, and a change from the common yellow color of soot radiation to a clear blue flame. Such a phenomenon may be useful for the control of soot production or product species. The splitting is intermittent in time, bifurcating between the split flame and an ordinary single jet diffusion flame. The experiment consists of an unconfined axisymmetric methane jet formed by a short length of 0.4 cm diameter pipe. The pipe is connected to a large plenum surrounding a bass reflex loudspeaker enclosure that provides the excitation. Conditions producing split and bifurcated flames are presented. The drive frequencies required to cause bifurcation correspond to the first two peaks in the system`s frequency response curve. Bifurcating behavior was observed at a wide range of flow rates, ranging from very small flames of Reynolds number 240 up to turbulent lift-off, at Re = 1,000, based on the inner pipe diameter. It was not sensitive to nozzle length, but the details of the nozzle tip, such as orifice or pipe geometry, can affect the frequency range.
Electron Effective-Attenuation-Length Database
National Institute of Standards and Technology Data Gateway
SRD 82 NIST Electron Effective-Attenuation-Length Database (PC database, no charge) This database provides values of electron effective attenuation lengths (EALs) in solid elements and compounds at selected electron energies between 50 eV and 2,000 eV. The database was designed mainly to provide EALs (to account for effects of elastic-eletron scattering) for applications in surface analysis by Auger-electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS).
Segment lengths influence hill walking strategies.
Sheehan, Riley C; Gottschall, Jinger S
2014-08-22
Segment lengths are known to influence walking kinematics and muscle activity patterns. During level walking at the same speed, taller individuals take longer, slower strides than shorter individuals. Based on this, we sought to determine if segment lengths also influenced hill walking strategies. We hypothesized that individuals with longer segments would display more joint flexion going uphill and more extension going downhill as well as greater lateral gastrocnemius and vastus lateralis activity in both directions. Twenty young adults of varying heights (below 155 cm to above 188 cm) walked at 1.25 m/s on a level treadmill as well as 6° and 12° up and downhill slopes while we collected kinematic and muscle activity data. Subsequently, we ran linear regressions for each of the variables with height, leg, thigh, and shank length. Despite our population having twice the anthropometric variability, the level and hill walking patterns matched closely with previous studies. While there were significant differences between level and hill walking, there were few hill walking variables that were correlated with segment length. In support of our hypothesis, taller individuals had greater knee and ankle flexion during uphill walking. However, the majority of the correlations were between tibialis anterior and lateral gastrocnemius activities and shank length. Contrary to our hypothesis, relative step length and muscle activity decreased with segment length, specifically shank length. In summary, it appears that individuals with shorter segments require greater propulsion and toe clearance during uphill walking as well as greater braking and stability during downhill walking. PMID:24968942
Cold bose gases with large scattering lengths.
Cowell, S; Heiselberg, H; Mazets, I E; Morales, J; Pandharipande, V R; Pethick, C J
2002-05-27
We calculate the energy and condensate fraction for a dense system of bosons interacting through an attractive short range interaction with positive s-wave scattering length a. At high densities n>a(-3), the energy per particle, chemical potential, and square of the sound speed are independent of the scattering length and proportional to n(2/3), as in Fermi systems. The condensate is quenched at densities na(3) approximately 1. PMID:12059466
Fragment Length of Circulating Tumor DNA
Underhill, Hunter R.; Kitzman, Jacob O.; Hellwig, Sabine; Welker, Noah C.; Daza, Riza; Gligorich, Keith M.; Rostomily, Robert C.; Shendure, Jay
2016-01-01
Malignant tumors shed DNA into the circulation. The transient half-life of circulating tumor DNA (ctDNA) may afford the opportunity to diagnose, monitor recurrence, and evaluate response to therapy solely through a non-invasive blood draw. However, detecting ctDNA against the normally occurring background of cell-free DNA derived from healthy cells has proven challenging, particularly in non-metastatic solid tumors. In this study, distinct differences in fragment length size between ctDNAs and normal cell-free DNA are defined. Human ctDNA in rat plasma derived from human glioblastoma multiforme stem-like cells in the rat brain and human hepatocellular carcinoma in the rat flank were found to have a shorter principal fragment length than the background rat cell-free DNA (134–144 bp vs. 167 bp, respectively). Subsequently, a similar shift in the fragment length of ctDNA in humans with melanoma and lung cancer was identified compared to healthy controls. Comparison of fragment lengths from cell-free DNA between a melanoma patient and healthy controls found that the BRAF V600E mutant allele occurred more commonly at a shorter fragment length than the fragment length of the wild-type allele (132–145 bp vs. 165 bp, respectively). Moreover, size-selecting for shorter cell-free DNA fragment lengths substantially increased the EGFR T790M mutant allele frequency in human lung cancer. These findings provide compelling evidence that experimental or bioinformatic isolation of a specific subset of fragment lengths from cell-free DNA may improve detection of ctDNA. PMID:27428049
Process for fabricating continuous lengths of superconductor
Kroeger, Donald M.; List, III, Frederick A.
1998-01-01
A process for manufacturing a superconductor. The process is accomplished by depositing a superconductor precursor powder on a continuous length of a first substrate ribbon, overlaying a continuous length of a second substrate ribbon on said first substrate ribbon, and applying sufficient pressure to form a bound layered superconductor precursor between said first substrate ribbon and said second substrates ribbon. The layered superconductor precursor is then heat treated to form a super conductor layer.
Graham, Rion; Miller, Chris; Oh, Eunsoon; Yu, Dong
2011-02-01
We determined the minority carrier diffusion length to be ∼1 μm in single PbS nanowire field effect transistors by scanning photocurrent microscopy. PbS nanowires grown by the vapor-liquid-solid method were p-type with hole mobilities up to 49 cm(2)/(V s). We measured a photoresponse time faster than 14 μs with near-unity charge separation efficiency at the contacts. For the first time, we also observed a field-dependent photocurrent decay length, indicating a drift dominant carrier transport at high bias.
Dynamical Length-Regulation of Microtubules
NASA Astrophysics Data System (ADS)
Melbinger, Anna; Reese, Louis; Frey, Erwin
2012-02-01
Microtubules (MTs) are vital constituents of the cytoskeleton. These stiff filaments are not only needed for mechanical support. They also fulfill highly dynamic tasks. For instance MTs build the mitotic spindle, which pulls the doubled set of chromosomes apart during mitosis. Hence, a well-regulated and adjustable MT length is essential for cell division. Extending a recently introduced model [1], we here study length-regulation of MTs. Thereby we account for both spontaneous polymerization and depolymerization triggered by motor proteins. In contrast to the polymerization rate, the effective depolymerization rate depends on the presence of molecular motors at the tip and thereby on crowding effects which in turn depend on the MT length. We show that these antagonistic effects result in a well-defined MT length. Stochastic simulations and analytic calculations reveal the exact regimes where regulation is feasible. Furthermore, the adjusted MT length and the ensuing strength of fluctuations are analyzed. Taken together, we make quantitative predictions which can be tested experimentally. These results should help to obtain deeper insights in the microscopic mechanisms underlying length-regulation. [4pt] [1] L.Reese, A.Melbinger, E.Frey, Biophys. J., 101, 9, 2190 (2011)
Fractal model of anomalous diffusion.
Gmachowski, Lech
2015-12-01
An equation of motion is derived from fractal analysis of the Brownian particle trajectory in which the asymptotic fractal dimension of the trajectory has a required value. The formula makes it possible to calculate the time dependence of the mean square displacement for both short and long periods when the molecule diffuses anomalously. The anomalous diffusion which occurs after long periods is characterized by two variables, the transport coefficient and the anomalous diffusion exponent. An explicit formula is derived for the transport coefficient, which is related to the diffusion constant, as dependent on the Brownian step time, and the anomalous diffusion exponent. The model makes it possible to deduce anomalous diffusion properties from experimental data obtained even for short time periods and to estimate the transport coefficient in systems for which the diffusion behavior has been investigated. The results were confirmed for both sub and super-diffusion.
Turbo fluid machinery and diffusers
NASA Technical Reports Server (NTRS)
Sakurai, T.
1984-01-01
The general theory behind turbo devices and diffusers is explained. Problems and the state of research on basic equations of flow and experimental and measuring methods are discussed. Conventional centrifugation-type compressor and fan diffusers are considered in detail.
Diffuse UV Background Radiation
NASA Astrophysics Data System (ADS)
Conn Henry, Richard; Murthy, J.
2012-01-01
The diffuse UV sky is expected to glow with significant amounts of starlight that is scattered from the interstellar dust. The albedo and scattering pattern of the dust in the ultraviolet are both well established, and are both fairly independent of wavelength from 912 Å to 3000 Å. We present 1943 Voyager spectra of the diffuse cosmic background radiation from 500 Å to 1200 Å, and we compare their brightnesses, and their distribution on the sky, to those observed (Murthy et al., ApJ 724, 1389, 2010) from the GALEX mission at longer wavelengths (1530 Å). Significant differences appear, suggesting that background radiation components in addition to dust-scattered starlight may be present in both spectral regions.
Nonlocal electrical diffusion equation
NASA Astrophysics Data System (ADS)
Gómez-Aguilar, J. F.; Escobar-Jiménez, R. F.; Olivares-Peregrino, V. H.; Benavides-Cruz, M.; Calderón-Ramón, C.
2016-07-01
In this paper, we present an analysis and modeling of the electrical diffusion equation using the fractional calculus approach. This alternative representation for the current density is expressed in terms of the Caputo derivatives, the order for the space domain is 0<β≤1 and for the time domain is 0<γ≤2. We present solutions for the full fractional equation involving space and time fractional derivatives using numerical methods based on Fourier variable separation. The case with spatial fractional derivatives leads to Levy flight type phenomena, while the time fractional equation is related to sub- or super diffusion. We show that the mathematical concept of fractional derivatives can be useful to understand the behavior of semiconductors, the design of solar panels, electrochemical phenomena and the description of anomalous complex processes.
NASA Astrophysics Data System (ADS)
Dianoux, A. J.
2003-09-01
Après une brève introduction qui rappelle les concepts détaillés dans le cours de M. Bée, nous présentons un aperçu de trois de nos travaux sur l'étude de la diffusion. Tout d'abord la dynamique de l'eau, dans son état normal ou surfondu, révèle la complexité apportée par le réseau de liaisons hydrogène. Ensuite l'effet du confinement sur la dynamique de l'eau sera étudié dans le cas de la membrane Nafion. Enfin la diffusion dans les phases nématique et smectique A d'un cristal liquide permet d'obtenir la valeur du potentiel qui maintient les couches dans la phase smectique.
Orientability and Diffusion Maps
Singer, Amit; Wu, Hau-tieng
2010-01-01
One of the main objectives in the analysis of a high dimensional large data set is to learn its geometric and topological structure. Even though the data itself is parameterized as a point cloud in a high dimensional ambient space ℝp, the correlation between parameters often suggests the “manifold assumption” that the data points are distributed on (or near) a low dimensional Riemannian manifold ℳd embedded in ℝp, with d ≪ p. We introduce an algorithm that determines the orientability of the intrinsic manifold given a sufficiently large number of sampled data points. If the manifold is orientable, then our algorithm also provides an alternative procedure for computing the eigenfunctions of the Laplacian that are important in the diffusion map framework for reducing the dimensionality of the data. If the manifold is non-orientable, then we provide a modified diffusion mapping of its orientable double covering. PMID:21765628
Galactic Diffuse Polarized Emission
NASA Astrophysics Data System (ADS)
Carretti, Ettore
2011-12-01
Diffuse polarized emission by synchrotron is a key tool to investigate magnetic fields in the Milky Way, particularly the ordered component of the large scale structure. Key observables are the synchrotron emission itself and the RM is by Faraday rotation. In this paper the main properties of the radio polarized diffuse emission and its use to investigate magnetic fields will be reviewed along with our current understanding of the galactic magnetic field and the data sets available. We will then focus on the future perspective discussing RM-synthesis - the new powerful instrument devised to unlock the information encoded in such an emission - and the surveys currently in progress like S-PASS and GMIMS.
NASA Astrophysics Data System (ADS)
Gfroerer, Tim; Phillips, Ryan; Rossi, Peter
2015-11-01
The tip of a rod is heated with a torch and brought into contact with the center of a metal sheet. A thermal camera is then used to image the temperature profile of the surface as a function of time. The infrared camera is capable of recording radiometric data with 1 mK resolution in nearly 105 pixels, so thermal diffusion can be monitored with unprecedented precision. With a frame rate of approximately 10 Hz, the pace of the data acquisition minimizes the loss of accuracy due to inevitable cooling mechanisms. We report diffusivity constants equal to 1.23 ± 0.06 cm2/s in copper and 0.70 ± 0.05 cm2/s in aluminum. The behavior is modeled with a straightforward but oddly under-utilized one-dimensional finite difference method.
Ex Vivo Diffusion Tensor Imaging of Spinal Cord Injury in Rats of Varying Degrees of Severity
Jirjis, Michael B.; Kurpad, Shekar N.
2013-01-01
Abstract The aim of this study was to characterize magnetic resonance diffusion tensor imaging (DTI) in proximal regions of the spinal cord following a thoracic spinal cord injury (SCI). Sprague–Dawley rats (n=40) were administered a control, mild, moderate, or severe contusion injury at the T8 vertebral level. Six direction diffusion weighted images (DWIs) were collected ex vivo along the length of the spinal cord, with an echo/repetition time of 31.6 ms/14 sec and b=500 sec/mm2. Diffusion metrics were correlated to hindlimb motor function. Significant differences were found for whole cord region of interest (ROI) drawings for fractional anisotropy (FA), mean diffusivity (MD), longitudinal diffusion coefficient (LD), and radial diffusion coefficient (RD) at each of the cervical levels (p<0.01). Motor function correlated with MD in the cervical segments of the spinal cord (r2=0.80). The diffusivity of water significantly decreased throughout “uninjured” portions of the spinal cord following a contusion injury (p<0.05). Diffusivity metrics were found to be altered following SCI in both white and gray matter regions. Injury severity was associated with diffusion changes over the entire length of the cord. This study demonstrates that DTI is sensitive to SCI in regions remote from injury, suggesting that the diffusion metrics may be used as a biomarker for severity of injury. PMID:23782233
Restricted Diffusion in Nonequilibrium Superfluid Inclusions in Solid Helium
NASA Astrophysics Data System (ADS)
Mikhin, N. P.; Birchenko, A. P.; Fysun, Ya. Yu.; Rudavskii, E. Ya.
2016-11-01
Diffusion processes are investigated with NMR technique in the two-phase system of solid helium matrix with superfluid inclusions. The system is formed by rapid cooling, and liquid inclusions are nonequilibrium. The diffusion coefficients of 3He are measured in each of the coexisting phases in a sample of a solid 3He-4He mixture with 1.0 % 3He using the spin-echo technique in the presence of a magnetic field gradient. It was found that the diffusion coefficient in superfluid inclusions decreases with the increasing diffusion length, which is a feature of restricted diffusion. The data obtained allowed us to estimate the typical size of the inclusions. It is shown that inclusion size decreases with time. A similar study on the equilibrium in liquid-crystal two-phase system, formed by rapid cooling of the sample near the melting curve, is performed for comparison. In this case, the restricted diffusion in the liquid phase also was observed; however, the system was stable, and the diffusion coefficient is sensitive to changes in temperature only.
NASA Technical Reports Server (NTRS)
Baird, James K.
1987-01-01
For the purpose of determining diffusion coefficients as required for electrodeposition studies and other applications, a diaphragm cell and an isothermal water bath were constructed. the calibration of the system is discussed. On the basis of three calibration runs on the diaphram cell, researchers concluded that the cell constant beta equals 0.12 cm -2 . Other calibration runs in progress should permit the cell constant to be determined with an accuracy of one percent.
Oterkus, Selda; Madenci, Erdogan; Agwai, Abigail
2014-05-15
This study presents the derivation of ordinary state-based peridynamic heat conduction equation based on the Lagrangian formalism. The peridynamic heat conduction parameters are related to those of the classical theory. An explicit time stepping scheme is adopted for numerical solution of various benchmark problems with known solutions. It paves the way for applying the peridynamic theory to other physical fields such as neutronic diffusion and electrical potential distribution.
NASA Astrophysics Data System (ADS)
Baring, Matthew
2003-04-01
The process of diffusive acceleration of charged particles in shocked plasmas is widely invoked in astrophysics to account for the ubiquitous presence of signatures of non-thermal relativistic electrons and ions in the universe. This statistical energization mechanism, manifested in turbulent media, was first posited by Enrico Fermi in 1949 to explain the observed cosmic ray population, which exhibits an almost power-law distribution in rigidity. The absence of a momentum scale is a key characteristic of diffusive shock acceleration, and astrophysical systems generally only impose scales at the injection (low energy) and loss (high energy) ends of the particle spectrum. The existence of structure in the cosmic ray spectrum (the "knee") at around 3000 TeV has promoted contentions that there are at least two origins for cosmic rays, a galactic one supplying those up to the knee, and perhaps an extragalactic one that can explain even the ultra-high energy cosmic rays (UHECRs) seen at 1-300 EeV. Accounting for the UHECRs with familiar astrophysical sites of acceleration has historically proven difficult due to the need to assume high magnetic fields in order to reduce the shortest diffusive acceleration timescale, the ion gyroperiod, to meaningful values. Yet active galaxies and gamma-ray bursts remain strong and interesting candidate sources for UHECRs, turning the theoretical focus to relativistic shocks. This review summarizes properties of diffusive shock acceleration that are salient to the issue of UHECR generation. These include spectral indices, anisotropies, acceleration efficencies and timescales, as functions of the shock speed and mean field orientation, and also the degree of field turbulence. Astrophysical sites for UHECR production are also critiqued.
Two independent measurements of Debye lengths in doped nonpolar liquids.
Prieve, D C; Hoggard, J D; Fu, R; Sides, P J; Bethea, R
2008-02-19
Electric current measurements were performed between 2.5 cm x 7.5 cm parallel-plate electrodes separated by 1.2 mm of heptane doped with 0-15% w/w poly(isobutylene succinimide) (PIBS) having a molecular weight of about 1700. The rapid (microsecond) initial charging of the capacitor can be used to infer the dielectric constant of the solution. The much slower decay of current arising from the polarization of electrodes depends on the differential capacitance of the diffuse clouds of charge carriers accumulating next to each electrode and on the ohmic resistance of the fluid. Using the Gouy-Chapman model for the differential capacitance, Debye lengths of 80-600 nm were deduced that decrease with increasing concentration of PIBS. Values of the Debye lengths were confirmed by performing independent measurements of double-layer repulsion between a 6 microm polystyrene (PS) latex sphere and a PS-coated glass plate using total internal reflection microscopy in the same solutions. The charge carriers appear to be inverted PIBS micelles having apparent Stokes diameters of 20-40 nm. Dynamic light scattering reveals a broad distribution of sizes having an intensity-averaged diameter of 15 nm. This smaller size might arise (1) from overestimating the electrophoretic mobility of micelles by treating them as point charges or (2) because charged micelles are larger on average than uncharged micelles. When Faradaic reactions and zeta potentials on the electrodes can be neglected, such current versus time experiments yield values for the Debye length and ionic strength with less effort than force measurements. To obtain the concentration of charge carriers from measurements of conductivity, the mobility of the charge carriers must be known.
Solute diffusion in liquid metals
NASA Technical Reports Server (NTRS)
Bhat, B. N.
1973-01-01
A gas model of diffusion in liquid metals is presented. In this model, ions of liquid metals are assumed to behave like the molecules in a dense gas. Diffusion coefficient of solute is discussed with reference to its mass, ionic size, and pair potential. The model is applied to the case of solute diffusion in liquid silver. An attempt was made to predict diffusion coefficients of solutes with reasonable accuracy.
Characterizing cosmic inhomogeneity with anomalous diffusion
NASA Astrophysics Data System (ADS)
Kraljic, D.
2015-08-01
Dark matter (DM) clustering at the present epoch is investigated from a fractal viewpoint in order to determine the scale where the self-similar scaling property of the DM halo distribution transits to homogeneity. Methods based on well-established `counts-in-cells' as well as new methods based on anomalous diffusion and random walks are investigated. Both are applied to DM haloes of the biggest N-body simulation in the `Dark Sky Simulations' (DS) catalogue and an equivalent randomly distributed catalogue. Results based on the smaller `Millennium Run' (MR) simulation are revisited and improved. It is found that the MR simulation volume is too small and prone to bias to reliably identify the onset of homogeneity. Transition to homogeneity is defined when the fractal dimension of the clustered and random distributions cannot be distinguished within the associated uncertainties. The `counts-in-cells' method applied to the DS then yields a homogeneity scale roughly consistent with previous work (˜150 h-1 Mpc). The characteristic length-scale for anomalous diffusion to behave homogeneously is found to be at about 250 h-1 Mpc. The behaviour of the fractal dimensions for a halo catalogue with the same two-point function as the original but with shuffled Fourier phases is investigated. The methods based on anomalous diffusion are shown to be sensitive to the phase information, whereas the `counts-in-cells' methods are not.
Percolation of interaction diffusing particles
NASA Technical Reports Server (NTRS)
Selinger, Robin Blumberg; Stanley, H. Eugene
1990-01-01
The connectivity properties of systems of diffusing interacting particles with the blind and myopic diffusion rules are studied. It is found that the blind rule case is equivalent to the lattice gas with J = 0 in all dimensions. The connectivity properties of blind rule diffusion are described by random site percolation due to the fact that the density on neighboring sites is uncorrelated.
Experimental investigation of boundary layer ingestion into diffusing inlets
NASA Astrophysics Data System (ADS)
Anabtawi, Amer Jamal
An experimental investigation was carried out to examine the flow inside diffuser inlets ingesting boundary layers with a thickness of the order of 30-40% of the ducts' throat height, with and without passive flow control consisting of vortex generators (vg's). The first of the three ducts tested was a long semi-circular diffusing duct with no offset. It was examined to study vortical. dynamics in internal flows and the effect of various vg design parameters on their performance and impact on the flow structure inside the diffuser. The other two ducts were shorter than the first duct and both had the same length and diffusion ratio. One duct maintained a semi-circular cross-section throughout its length with no offset, and the second one had an S-shaped offset and changed its cross-section from a semi-circle at the throat to a full circle at the fan face. The flow surveys in the two ducts were compared to understand the effect of offset on flow structure, diffuser performance and vg effectiveness. Duct performance was quantified in terms of pressure recovery and total pressure distortion at the fan face (exit) of the duct. The S-duct also yielded results applicable to aircraft engine inlets as its geometry was similar to that expected on the inlets of the NASA/Boeing Blended-Wind-Body (BWB).
Continuous time anomalous diffusion in a composite medium.
Stickler, B A; Schachinger, E
2011-08-01
The one-dimensional continuous time anomalous diffusion in composite media consisting of a finite number of layers in immediate contact is investigated. The diffusion process itself is described with the help of two probability density functions (PDFs), one of which is an arbitrary jump-length PDF, and the other is a long-tailed waiting-time PDF characterized by the waiting-time index β∈(0,1). The former is assumed to be a function of the space coordinate x and the time coordinate t while the latter is a function of x and the time interval. For such an environment a very general form of the diffusion equation is derived which describes the continuous time anomalous diffusion in a composite medium. This result is then specialized to two particular forms of the jump-length PDF, namely the continuous time Lévy flight PDF and the continuous time truncated Lévy flight PDF. In both cases the PDFs are characterized by the Lévy index α∈(0,2) which is regarded to be a function of x and t. It is possible to demonstrate that for particular choices of the indices α and β other equations for anomalous diffusion, well known from the literature, follow immediately. This demonstrates the very general applicability of the derivation and of the resulting fractional differential equation discussed here. PMID:21928958
Performance Characteristics of Plane-Wall Two-Dimensional Diffusers
NASA Technical Reports Server (NTRS)
Reid, Elliott G
1953-01-01
Experiments have been made at Stanford University to determine the performance characteristics of plane-wall, two-dimensional diffusers which were so proportioned as to insure reasonable approximation of two-dimensional flow. All of the diffusers had identical entrance cross sections and discharged directly into a large plenum chamber; the test program included wide variations of divergence angle and length. During all tests a dynamic pressure of 60 pounds per square foOt was maintained at the diffuser entrance and the boundary layer there was thin and fully turbulent. The most interesting flow characteristics observed were the occasional appearance of steady, unseparated, asymmetric flow - which was correlated with the boundary-layer coalescence - and the rapid deterioration of flow steadiness - which occurred as soon as the divergence angle for maximum static pressure recovery was exceeded. Pressure efficiency was found to be controlled almost exclusively by divergence angle, whereas static pressure recovery was markedly influenced by area ratio (or length) as well as divergence angle. Volumetric efficiency. diminished as area ratio increased, and at a greater rate with small lengths than with large ones. Large values of the static-pressure-recovery coefficient were attained only with long diffusers of large area ratio; under these conditions pressure efficiency was high and. volumetric efficiency low. Auxiliary tests with asymmetric diffusers demonstrated that longitudinal pressure gradient, rather than wall divergence angle, controlled flow separation. Others showed that the addition of even a short exit duct of uniform section augmented pressure recovery. Finally, it was found that the installation of a thin, central, longitudinal partition suppressed flow separation in short diffusers and thereby improved pressure recovery
Insomnia and Telomere Length in Older Adults
Carroll, Judith E.; Esquivel, Stephanie; Goldberg, Alyssa; Seeman, Teresa E.; Effros, Rita B.; Dock, Jeffrey; Olmstead, Richard; Breen, Elizabeth C.; Irwin, Michael R.
2016-01-01
Study Objectives: Insomnia, particularly in later life, may raise the risk for chronic diseases of aging and mortality through its effect on cellular aging. The current study examines the effects of insomnia on telomere length, a measure of cellular aging, and tests whether insomnia interacts with chronological age to increase cellular aging. Methods: A total of 126 males and females (60–88 y) were assessed for insomnia using the Diagnostic and Statistical Manual IV criterion for primary insomnia and the International Classification of Sleep Disorders, Second Edition for general insomnia (45 insomnia cases; 81 controls). Telomere length in peripheral blood mononuclear cells (PBMC) was determined using real-time quantitative polymerase chain reaction (qPCR) methodology. Results: In the analysis of covariance model adjusting for body mass index and sex, age (60–69 y versus 70–88 y) and insomnia diagnosis interacted to predict shorter PBMC telomere length (P = 0.04). In the oldest age group (70–88 y), PBMC telomere length was significantly shorter in those with insomnia, mean (standard deviation) M(SD) = 0.59(0.2) compared to controls with no insomnia M(SD) = 0.78(0.4), P = 0.04. In the adults aged 60–69 y, PBMC telomere length was not different between insomnia cases and controls, P = 0.44. Conclusions: Insomnia is associated with shorter PBMC telomere length in adults aged 70–88 y, but not in those younger than 70 y, suggesting that clinically severe sleep disturbances may increase cellular aging, especially in the later years of life. These findings highlight insomnia as a vulnerability factor in later life, with implications for risk for diseases of aging. Citation: Carroll JE, Esquivel S, Goldberg A, Seeman TE, Effros RB, Dock J, Olmstead R, Breen EC, Irwin MR. Insomnia and telomere length in older adults. SLEEP 2016;39(3):559–564. PMID:26715231
Gross anatomical study of spleenic length.
Chowdhury, Ashraful Islam; Khalil, Mansur; Begum, Jahan Ara; Rahman, M Habibur; Mannan, Sabina; Sultana, Seheli Zannat; Rahman, M Mahbubur; Ahamed, M Sshibbir; Sultana, Zinat Rezina
2009-01-01
The aim of the present study was to establish the standard length of the normal spleen in Bangladeshi people. One hundred and twenty human cadavers of which eighty-seven male and thirty-three female were dissected to remove spleen with associated structures in the morgue of Forensic Medicine Department of Mymensingh Medical College. Collected specimens were tagged with specific identification number, divided into five groups according to age and height of the individual. Gross and fine dissections were carried out after fixing the specimen in 10% formol saline solution. Length of the spleen was measured by measuring tape and expressed in cm and findings of the present study were compared with the findings of national and international studies. This was a cross sectional descriptive study carried out in the Department of Anatomy of Mymensingh Medical College, Mymensingh. The mean length of spleen was maximum as 11.20 cm in male in group C (31-45 years), and as 11.80 cm in female in group B(16-30 years) and mean length of spleen was minimum as 10.06 cm in male and 9.53 cm in female in group A (upto 15 years). Difference between group A and B, A and C, A and D were statistically significant. There were no significant differences in between other groups. According to height of individual the mean length of spleen was maximum 11.42 cm in 165.01 to 180 cm height group and minimum 10.30 cm in 0-120 cm height group which indicate that length of the spleen increases with height of the individual. This was observed that length of the spleen depends on the age, sex and body height of the individual. PMID:19377429
Coarse-grained molecular dynamics simulation of water diffusion in the presence of carbon nanotubes.
Lado Touriño, Isabel; Naranjo, Arisbel Cerpa; Negri, Viviana; Cerdán, Sebastián; Ballesteros, Paloma
2015-11-01
Computational modeling of the translational diffusion of water molecules in anisotropic environments entails vital relevance to understand correctly the information contained in the magnetic resonance images weighted in diffusion (DWI) and of the diffusion tensor images (DTI). In the present work we investigated the validity, strengths and weaknesses of a coarse-grained (CG) model based on the MARTINI force field to simulate water diffusion in a medium containing carbon nanotubes (CNTs) as models of anisotropic water diffusion behavior. We show that water diffusion outside the nanotubes follows Ficḱs law, while water diffusion inside the nanotubes is not described by a Ficḱs behavior. We report on the influence on water diffusion of various parameters such as length and concentration of CNTs, comparing the CG results with those obtained from the more accurate classic force field calculation, like the all-atom approach. Calculated water diffusion coefficients decreased in the presence of nanotubes in a concentration dependent manner. We also observed smaller water diffusion coefficients for longer CNTs. Using the CG methodology we were able to demonstrate anisotropic diffusion of water inside the nanotube scaffold, but we could not prove anisotropy in the surrounding medium, suggesting that grouping several water molecules in a single diffusing unit may affect the diffusional anisotropy calculated. The methodologies investigated in this work represent a first step towards the study of more complex models, including anisotropic cohorts of CNTs or even neuronal axons, with reasonable savings in computation time.
NASA Astrophysics Data System (ADS)
Smuda, Christoph; Busch, Sebastian; Gemmecker, Gerd; Unruh, Tobias
2008-07-01
A systematic time-of-flight quasielastic neutron scattering (TOF-QENS) study on diffusion of n-alkanes in a melt is presented for the first time. As another example of a medium-chain molecule, coenzyme Q10 is investigated in the same way. The data were evaluated both in the frequency and in the time domain. TOF-QENS data can be satisfactorily described by different models, and it turned out that the determined diffusion coefficients are largely independent of the applied model. The derived diffusion coefficients are compared with values measured by pulsed-field gradient nuclear magnetic resonance (PFG-NMR). With increasing chain length, an increasing difference between the TOF-QENS diffusion coefficient and the PFG-NMR diffusion coefficient is observed. This discrepancy in the diffusion coefficients is most likely due to a change of the diffusion mechanism on a nanometer length scale for molecules of medium-chain length.