A diffuse-interface approximation for surface diffusion including adatoms
NASA Astrophysics Data System (ADS)
Rätz, Andreas; Voigt, A.
2007-01-01
We introduce a diffuse-interface approximation for solving partial differential equations on evolving surfaces. The model of interest is a fourth-order geometric evolution equation for a growing surface with an additional diffusive adatom density on the surface. Such models arise in the description of epitaxial growth, where the surface of interest is the solid-vapour interface. The model allows us to handle complex geometries in an implicit manner, by considering an evolution equation for a phase-field variable describing the surface and an evolution equation for an extended adatom concentration on a time-independent domain. Matched asymptotic analysis shows the formal convergence towards the sharp interface model and numerical results based on adaptive finite elements demonstrate the applicability of the approach.
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.
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.
Control of the crystal structure of InAs nanowires by tuning contributions of adatom diffusion
NASA Astrophysics Data System (ADS)
Huang, Hui; Ren, Xiaomin; Ye, Xian; Guo, Jingwei; Wang, Qi; Zhang, Xia; Cai, Shiwei; Huang, Yongqing
2010-11-01
The dependence of crystal structure on contributions of adatom diffusion (ADD) and precursor direct impingement (DIM) was investigated for vapor-liquid-solid growth of InAs nanowires (NWs). The ADD contributions from the sidewalls and substrate surface can be changed by using GaAs NWs of different length as the basis for growing InAs NWs. We found that pure zinc-blende structure is favored when DIM contributions dominate. Moreover, without changing the NW diameter or growth parameters (such as temperature or V/III ratio), a transition from zinc-blende to wurtzite structure can be realized by increasing the ADD contributions. A nucleation model is proposed in which ADD and DIM contributions play different roles in determining the location and phase of the nucleus.
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.
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
Thermal Diffusion Processes in Metal-Tip-Surface Interactions: Contact Formation and Adatom Mobility
NASA Astrophysics Data System (ADS)
Sørensen, Mads R.; Jacobsen, Karsten W.; Jónsson, Hannes
1996-12-01
We have carried out computer simulations to identify and characterize various thermally activated atomic scale processes that can play an important role in room temperature experiments where a metal tip is brought close to a metal surface. We find that contact formation between the tip and the surface can occur by a sequence of atomic hop and exchange processes which become active on a millisecond time scale when the tip is about 3-5 Å from the surface. Adatoms on the surface are stabilized by the presence of the tip and energy barriers for diffusion processes in the region under the tip are reduced. This can cause adatoms to follow the tip as it is moved over the surface.
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.
NASA Astrophysics Data System (ADS)
Naderi, Ebadollah; Nanavati, Sachin; Majumder, Chiranjib; Ghaisas, S. V.
2015-01-01
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 Aa 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 Aa (occupied) to Aa (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.
2015-10-27
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).
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)
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.
NASA Astrophysics Data System (ADS)
Zhang, Wei; Gan, Jie; Li, Qian; Gao, Kun; Sun, Jian; Xu, Ning; Ying, Zhifeng; Wu, Jiada
2011-06-01
The self-diffusion dynamics of Cu adatoms on Cu(1 0 0) surface has been studied based on the calculation of the energy barriers for various hopping events using lattice-gas based approach and a modified model. To simplify the description of the interactions and the calculation of the energy barrier, a three-tier hierarchy of description of atomic configurations was conceived in which the active adatom and its nearest atoms were chosen to constitute basic configuration and taken as a whole to study many-body interactions of the atoms in various atomic configurations, whereas the impacts of the next nearest atoms on the diffusion of the active adatom were considered as multi-site interactions. Besides the simple hopping of single adatoms, the movements of dimers and trimers as the results of multiple hopping events have also been examined. Taking into account the hopping events of all adatoms, the stability of atomic configurations has been examined and the evolution of atomic configurations has also been analyzed.
NASA Astrophysics Data System (ADS)
Kundin, J.; Hubert, J.; Emmerich, H.
2009-10-01
Here we extend a phase-field model for epitaxial step-flow growth originally derived by Liu and Metiu to capture the case of different adatom diffusivities at neighboring terraces as well as an arbitrary Ehrlich-Schwoebel (ES) barrier. Our extended model approach bridges the atomic to continuum scale in the sense that it takes into account atomic attachment kinetics in full detail and likewise allows to simulate long range transport processes above the surface efficiently. To verify the model we present a matched asymptotic analysis of the derived model equations, which shows that in a special limit the presented model can be related to the Burton-Cabrera-Frank (BCF) model with different kinds of attachment coefficients at either side of a step edge. We demonstrate the capability of our approach by presenting numerical simulations with an Ehrlich-Schwoebel (ES) barrier, which reproduce the well-known step meandering instability. Thereby we show how mathematical analysis helps to specify and validate a phase-field model and thus contributes to the further development of this modeling approach at the nano- to microscale.
NASA Technical Reports Server (NTRS)
Edmonds, L. D.
1996-01-01
Charge collected by diffusion from ion tracks in a semiconductor substrate may be influenced by the substrate diffusion length, which is related to recombination losses. A theoretical analysis shows that, excluding some extreme cases, charge collection is insensitive to spatial variations in the diffusion length funciton, so it is possible to define an effective diffusion length having the property that collected charge can be approximated by assuming a uniform diffusion length equal to this effective value.
Diffusion lengths in amphoteric GaAs heteroface solar cells
NASA Technical Reports Server (NTRS)
Ashley, K. L.; Beal, S. W.
1978-01-01
Minority-carrier diffusion lengths in amphoteric GaAs:Si were investigated. Electron and hole diffusion lengths in p- and n-type, respectively, were determined to be 13 microns and 7 microns. Preliminary efficiency measurements on heteroface structures based on amphoteric GaAs:Si p-n junctions indicated that these devices should make excellent solar cells.
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.
Diffusion lengths of silicon solar cells from luminescence images
Wuerfel, P.; Trupke, T.; Puzzer, T.; Schaeffer, E.; Warta, W.; Glunz, S. W.
2007-06-15
A method for spatially resolved measurement of the minority carrier diffusion length in silicon wafers and in silicon solar cells is introduced. The method, which is based on measuring the ratio of two luminescence images taken with two different spectral filters, is applicable, in principle, to both photoluminescence and electroluminescence measurements and is demonstrated experimentally by electroluminescence measurements on a multicrystalline silicon solar cell. Good agreement is observed with the diffusion length distribution obtained from a spectrally resolved light beam induced current map. In contrast to the determination of diffusion lengths from one single luminescence image, the method proposed here gives absolute values of the diffusion length and, in comparison, it is much less sensitive to lateral voltage variations across the cell area as caused by local variations of the series resistance. It is also shown that measuring the ratio of two luminescence images allows distinguishing shunts or surface defects from bulk defects.
Precise Nanoelectronics with Adatom Chains
NASA Technical Reports Server (NTRS)
Yamada, Toshishige
1999-01-01
Adatom chains on an atomically regulated substrate will be building components in future precise nanoelectronics. Adatoms need to be secured with chemical bonding, but then electronic isolation between the adatom and substrate systems is not guaranteed. A one-dimensional model shows that good isolation with existence of surface states is expected on an s-p crossing substrate such as Si, Ge, or GaAs, reflecting the bulk nature of the substrate. Isolation is better if adatoms are electronically similar to the substrate atoms, and can be manipulated by hydrogenation. Chain structures with group IV adatoms with two chemical bonds, or group III adatoms with one chemical bond, are semiconducting, reflecting the surface nature of the substrate. These structures are unintentionally doped due to the charge transfer across the chemical bonds. Physical properties of adatom chains have to be determined for the unified adatom-substrate system.
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
Thirty years since diffuse sound reflection by maximum length
NASA Astrophysics Data System (ADS)
Cox, Trevor J.; D'Antonio, Peter
2005-09-01
This year celebrates the 30th anniversary of Schroeder's seminal paper on sound scattering from maximum length sequences. This paper, along with Schroeder's subsequent publication on quadratic residue diffusers, broke new ground, because they contained simple recipes for designing diffusers with known acoustic performance. So, what has happened in the intervening years? As with most areas of engineering, the room acoustic diffuser has been greatly influenced by the rise of digital computing technologies. Numerical methods have become much more powerful, and this has enabled predictions of surface scattering to greater accuracy and for larger scale surfaces than previously possible. Architecture has also gone through a revolution where the forms of buildings have become more extreme and sculptural. Acoustic diffuser designs have had to keep pace with this to produce shapes and forms that are desirable to architects. To achieve this, design methodologies have moved away from Schroeder's simple equations to brute force optimization algorithms. This paper will look back at the past development of the modern diffuser, explaining how the principles of diffuser design have been devised and revised over the decades. The paper will also look at the present state-of-the art, and dreams for the future.
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.
Diffusion length measurements of thin amorphous silicon layers
NASA Astrophysics Data System (ADS)
van den Heuvel, J. C.; van Oort, R. C.; Geerts, M. J.
1989-02-01
A new method for the analysis of diffusion length measurements by the Surface Photovoltage (SPV) method is presented. It takes into account the effect of the reflection of light from the back contact in thin layers and the effect of a finite bandwidth of the used interference filters. The model was found to agree with experiments on thin amorphous silicon (a-Si:H) layers. It is shown that in the region were these effects are negligible this method is equivalent to the standard method.
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.
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.
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
Scale length of mantle heterogeneities: Constraints from helium diffusion
NASA Astrophysics Data System (ADS)
Hart, S. R.; Kurz, M. D.; Wang, Z.
2008-05-01
A model of coupled He production/diffusion is used to constrain the question of whether Earth's peridotitic mantle contains ubiquitous mesoscale veins or slabs of other lithologies. The high diffusion rates of helium preclude survival of He isotope heterogeneities on scales smaller than a few tens of meters, especially if they represent long term in-growth of 4He in the mantle. For 1.5 Gyr residence times, and a diffusion coefficient of 10 - 10 m 2/s, 0.5 km slabs or 2 km cylinders will lose > 90% of in-grown 4He. However, substantial 3He/ 4He variations may persist in slabs or be induced in adjacent mantle, depending on initial He, U and Th contents. We have modeled three cases of 3He/ 4He equilibration between mantle domains: an ocean crust (OC) slab in depleted upper mantle (DMM) or in enriched mantle (BSE), and a BSE slab in DMM. For a 1 km OC slab in DMM (8 Ra today), the slab today will have 3He/ 4He of only 3 Ra, and will have influenced the surrounding mantle with 4He for > 7 km on either side. The average 3He/ 4He of this mixed zone will be < 7 Ra, even when sampled by melts over a total width of 20-50 km. For the case of a 1 km BSE slab in DMM (8 Ra today), the slab will be 37 Ra today, and will have infected a mantle domain > 16 km wide. Even with a 60 km melt sampling width, the average 3He/ 4He will be > 15 Ra. Slabs may lose their He signature by diffusion, but their presence will be recorded in the surrounding mantle. We have evaluated 3 along-axis N-MORB ridge-crest data sets in this context (MAR 25.7-26.5°S; EPR 19-23°S; SWIR 16-24° E), with a view to defining scale-lengths of He isotope variability. The average 3He/ 4He variability for these 3 areas is very small, and independent of spreading rate: 0.13, 0.19 and 0.21 Ra (± 1 σ). Since these ridges range from ultra-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
Changes in diffusion path length with old age in diffuse optical tomography
NASA Astrophysics Data System (ADS)
Bonnéry, Clément; Leclerc, Paul-Olivier; Desjardins, Michèle; Hoge, Rick; Bherer, Louis; Pouliot, Philippe; Lesage, Frédéric
2012-05-01
Diffuse, optical near infrared imaging is increasingly being used in various neurocognitive contexts where changes in optical signals are interpreted through activation maps. Statistical population comparison of different age or clinical groups rely on the relative homogeneous distribution of measurements across subjects in order to infer changes in brain function. In the context of an increasing use of diffuse optical imaging with older adult populations, changes in tissue properties and anatomy with age adds additional confounds. Few studies investigated these changes with age. Duncan et al. measured the so-called diffusion path length factor (DPF) in a large population but did not explore beyond the age of 51 after which physiological and anatomical changes are expected to occur [Pediatr. Res. 39(5), 889-894 (1996)]. With increasing interest in studying the geriatric population with optical imaging, we studied changes in tissue properties in young and old subjects using both magnetic resonance imaging (MRI)-guided Monte-Carlo simulations and time-domain diffuse optical imaging. Our results, measured in the frontal cortex, show changes in DPF that are smaller than previously measured by Duncan et al. in a younger population. The origin of these changes are studied using simulations and experimental measures.
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.
Smallest Nanoelectronics with Adatom Chains
NASA Technical Reports Server (NTRS)
Yamada, Toshishige; Saini, Subhash (Technical Monitor)
1998-01-01
This viewgraph presentation is focused on the general aspect of atomic chain electronics that I have been studying. Results have been published before, but are being rederived here using a new physical/mathematical picture/model, which deepens the physical understanding. Precise adatom structures can be used as a template on a regulated surface with no uncertainty.
NASA Astrophysics Data System (ADS)
Dieška, Peter; Štich, Ivan
2009-03-01
Ab initio techniques are used to elucidate the lateral noncontact AFM pair exchange of Sn and Ge adatoms on the Ge(111)-c(2×8) surface both at low and room temperatures. Two different processes are considered: (a) tip-assisted surface diffusion and (b) active tip participation via adatom pick-up/deposition processes. The adatom diffusion profiles indicate fairly modest energy barriers between 0.6 and 0.8 eV, which can be further significantly reduced by the tip. However, the diffusion-mediated exchange mechanism is precluded by a large barrier (>1eV) to the (Sn, Ge)-pair exchange. The experimental data are only consistent with a mechanism involving a simultaneous adatom pick-up/deposition and adatom diffusion processes. Simulation results show that, contrary to general belief, the tip apex modification due to the pick-up/deposition processes may not be experimentally noticeable.
Phase field model for growth of adatom islands
NASA Astrophysics Data System (ADS)
Yu, Yan-Mei; Liu, Bang-Gui
2005-03-01
We developed a phase-field model for epitaxial growth of 2D/3D adatom islands and self-organized formation of regular nanostripes. A local phase-field variable is introduced to describe adatom islands. The evolution of this phase field is determined by a time-dependent equation coupled to a diffusive transport equation of local adatom density. The limited interlayer diffusion and atomic detachment at steps are included in the model. Applied to real submonolayer epitaxial systems, we reproduce not only the scaling law of the island density but also the experimental size and spatial distribution of the islands. With large coverages of adatoms we obtain not only the 3D mounding islands but also their coarsening and roughening exponents. We explored the self-organized formation of regular arrays of Fe nanostripes on W(110) by the hybrid growth of islands and step flows during the post-deposition annealing. Compared with atomic models and mean-field models, this phase-field model can not only span larger space and time scales while containing the elemental atomic kinetic of epitaxy, but also provide a fine visualized morphology of epitaxial features in 2+1 dimensions. Y. M. Yu and B.-G. Liu, Phys. Rev. E 69, 021601 (2004); Phys. Rev. B 70, 051444 (2004).
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.
Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide
2015-01-01
Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement. PMID:26364565
Lou, Shishu; Zhu, Huishi; Hu, Shaoxu; Zhao, Chunhua; Han, Peide
2015-01-01
Characterization of the diffusion length of solar cells in space has been widely studied using various methods, but few studies have focused on a fast, simple way to obtain the quantified diffusion length distribution on a silicon wafer. In this work, we present two different facile methods of doing this by fitting photoluminescence images taken in two different wavelength ranges or from different sides. These methods, which are based on measuring the ratio of two photoluminescence images, yield absolute values of the diffusion length and are less sensitive to the inhomogeneity of the incident laser beam. A theoretical simulation and experimental demonstration of this method are presented. The diffusion length distributions on a polycrystalline silicon wafer obtained by the two methods show good agreement. PMID:26364565
NASA Technical Reports Server (NTRS)
Ho, C. T.; Mathias, J. D.
1981-01-01
The influence of short wavelength light on the characteristic bulk minority carrier diffusion length of the ribbon silicon photovoltaic cell has been investigated. We have measured the intensity and wavelength dependence of the diffusion length in an EFG ribbon cell, and compared it with a standard Czochralski grown silicon cell. While the various short wavelength illuminations have shown no influence on the diffusion length in the CZ cell, the diffusion lengths in the ribbon cell exhibit a strong dependence on the volume generation rate as well as on the wavelength of the superimposed lights. We have concluded that the trap-filling phenomenon at various depths in the bulk neutral region of the cell is consistent with the experimental observation.
Study on surface photovoltage measurement of long diffusion length silicon: Simulation results
NASA Astrophysics Data System (ADS)
Anttila, O. J.; Hahn, S. K.
1993-07-01
The limitations of surface photovoltage method (SPV), using the analytical solution for the minority-carrier distribution, are studied in detail. The principal source of error in thin wafers of long diffusion length material is the back surface recombination. The possibility of measuring large diffusion lengths in a reliable manner is discussed. With proper back surface passivation, diffusion lengths as long as several times the sample thickness can be measured. Evaluation of minor amounts of iron contamination in p-type material is possible even if the back surface recombination velocity is high, but a correction factor is required for the traditionally used relationship to convert the observed diffusion length change to iron concentration. The value of the correction factor varies between 1 and 1.5 for high back surface recombination velocity; the magnitude depends on the ratio between wafer thickness and the diffusion length of the minority carriers. The detection limit for iron is in the 109-1011 at/cm3 range, depending on the quality of the instrumentation and on the sample preparation; low back surface recombination gives better sensitivity. The use of SPV to measure the denuded zone width in precipitated material is briefly analyzed. It is shown that in heavily precipitated material an SPV measurement underestimates the denuded zone width, and the result will be very sensitive to the diffusion length in the bulk of the sample. Finally, the sensitivity of the measured diffusion length to different sources of errors and requirements for the sample preparation are discussed. The use of constant-flux method introduces some potential errors, which can be avoided through the use of constant bias illumination during the measurement.
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.
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 of minority carrier diffusion lengths in InP/GaAs solar cells
NASA Technical Reports Server (NTRS)
Jain, R. K.; Flood, D. J.
1990-01-01
Minority carrier diffusion length is one of the most important parameters affecting the solar cell performance. An attempt is made to estimate the minority carrier diffusion lengths is the emitter and base of InP/GaAs heteroepitaxial solar cells. The PC-1D computer model was used to simulate the experimental cell results measured at NASA Lewis under AMO (air mass zero) spectrum at 25 C. A 16 nm hole diffusion length in the emitter and a 0.42 micron electron diffusion length in the base gave very good agreement with the I-V curve. The effect of varying minority carrier diffusion lengths on cell short current, open circuit voltage, and efficiency was studied. It is also observed that the front surface recombination velocity has very little influence on the cell performance. The poor output of heteroepitaxial cells is caused primarily by the large number of dislocations generated at the interfaces that propagate through the bulk indium phosphide layers. Cell efficiency as a function of dislocation density was calculated and the effect of improved emitter bulk properties on cell efficiency is presented. It is found that cells with over 16 percent efficiencies should be possible, provided the dislocation density is below 10(exp 6)/sq cm.
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
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.
Determination of the Pt spin diffusion length by spin-pumping and spin Hall effect
Zhang, Wei; Pearson, John E.; Hoffmann, Axel; Vlaminck, Vincent; Colegio de Ciencias e Ingenería, Universidad San Fransciso de Quito, Quito ; Divan, Ralu; Bader, Samuel D.; Center for Nanoscale Materials, Argonne National Laboratory, Illinois 60439
2013-12-09
The spin diffusion length of Pt at room temperature and at 8 K is experimentally determined via spin pumping and spin Hall effect in permalloy/Pt bilayers. Voltages generated during excitation of ferromagnetic resonance from the inverse spin Hall effect and anisotropic magnetoresistance effect were investigated with a broadband approach. Varying the Pt layer thickness gives rise to an evolution of the voltage line shape due to the superposition of the above two effects. By studying the ratio of the two voltage components with the Pt layer thickness, the spin diffusion length of Pt can be directly extracted. We obtain a spin diffusion length of ∼1.2 nm at room temperature and ∼1.6 nm at 8 K.
Electron beam induced current measurements of minority carrier diffusion length in gallium nitride
NASA Astrophysics Data System (ADS)
Chernyak, Leonid; Osinsky, Andrei; Temkin, Henryk; Yang, J. W.; Chen, Q.; Asif Khan, M.
1996-10-01
Minority carrier diffusion length in epitaxial GaN layers was measured as a function of majority carrier concentration and temperature. The diffusion length of holes in n-type GaN is found to decrease from 3.4 to 1.2 μm in the doping range of 5×1015-2×1018 cm-3. The experimental results can be fitted by assuming the Einstein relation and by the experimental dependence of hole mobilities on carrier concentration. The low injection carrier lifetime of ˜15 ns, used in the fit, is largely independent of the doping level. The diffusion length, measured for ˜5×1015 and 2×1018 cm-3 dopant concentrations, shows an increase with increasing temperature, characterized by an activation energy Ea of ˜90 meV, independent of the impurity concentration.
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.
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.
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.
NASA Astrophysics Data System (ADS)
Stranks, Samuel; Eperon, Giles; Grancini, Giulia; Menelaou, Christopher; Alcocer, Marcelo; Leijtens, Tomas; Herz, Laura; Petrozza, Annamaria; Snaith, Henry
2014-03-01
Organic-inorganic perovskites have shown promise as high-performance absorbers in solar cells, first as a coating on a mesoporous metal oxide scaffold and more recently as a solid layer in planar heterojunction architectures. Here, we report transient absorption and photoluminescence-quenching measurements to determine the electron-hole diffusion lengths, diffusion constants, and lifetimes in mixed halide (CH3NH3PbI3-xClx) and triiodide (CH3NH3PbI3) perovskite absorbers. We found that the diffusion lengths are greater than 1 micrometer in the mixed halide perovskite, which is an order of magnitude greater than the absorption depth. In contrast, the triiodide absorber has electron-hole diffusion lengths of order 100 nanometers. Finally, we fabricated solution-processed thin-film planar heterojunction devices, achieving power conversion efficiencies of over 12% using the mixed halide absorber but only 4% with the triiodide perovskite. Our results show that the long diffusion lengths justify the high efficiency of planar heterojunction perovskite solar cells, and identify a critical parameter to optimize for future perovskite absorber development.
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
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.
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.
Experimental determination of diffusion length in SWIR HgCdTe photodiodes
NASA Astrophysics Data System (ADS)
Jia, Jia; Chen, Guibin; Li, Xiangyang; Gong, Haimei
2005-01-01
Minority carrier diffusion length is a key parameter of material quality and gives an indication of diode performance. It is also one important parameter when considering the increase of the effective optical sensitive area caused by the lateral diffusion and the crosstalk between individual detectors on a focal plane array (FPA). In this paper, we perform diffusion length measurements with two methods on short wavelength infrared (SWIR) HgCdTe photovoltaic devices. One method is based on the different behaviors of electrons and holes in a variation magnetic field B and their effects on the saturation current density J0. The other method is an optical characterization technique called Laser Beam Induced Current (LBIC). The results were in good agreement with each other.
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.
Study of minority carrier diffusion lengths in photoactive layers of multijunction solar cells
Mintairov, S. A. Andreev, V. M.; Emelyanov, V. M.; Kalyuzhnyy, N. A.; Timoshina, N. K.; Shvarts, M. Z.; Lantratov, V. M.
2010-08-15
A technique for determining a minority carrier's diffusion length in photoactive III-V layers of solar cells by approximating their spectral characteristics is presented. Single-junction GaAs, Ge and multi-junction GaAs/Ge, GaInP/GaAs, and GaInP/GaInAs/Ge solar cells fabricated by hydride metal-organic vapor-phase epitaxy (H-MOVPE) have been studied. The dependences of the minority carrier diffusion length on the doping level of p-Ge and n-GaAs are determined. It is shown that the parameters of solid-state diffusion of phosphorus atoms to the p-Ge substrate from the n-GaInP nucleation layer are independent of the thickness of the latter within 35-300 nm. It is found that the diffusion length of subcells of multijunction structures in Ga(In)As layers is smaller in comparison with that of single-junction structures.
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
NASA Astrophysics Data System (ADS)
Ryabishchenkova, A. G.; Otrokov, M. M.; Kuznetsov, V. M.; Chulkov, E. V.
2015-09-01
Ab initio study of the adsorption, diffusion, and intercalation of alkali metal adatoms on the (0001) step surface of the topological insulator Bi2Se3 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.
Dance of Adatom Islands: Brownian Motion, Scaling and Reshaping
NASA Astrophysics Data System (ADS)
Metiu, Horia; Weakliem, Paul; Bogicevic, Alex; Liu, Shudun
1998-03-01
Dynamics of adatom islands of sizes 17 to 2000 is studied by means of kinetic Monte Carlo simulation. Structures of the islands, especially their relation to the sizes of the islands, are examined in great detail. These information provides us a better understanding of how the diffusion constants of these islands scale with the sizes of the islands. Our earlier prediction that the scaling exponents depend on both the temperature and the systems have recently been confirmed by STM measurements. A simple picture for the Brownian motion of large islands will be presented.
Diffusion length measurements of thin GaAs solar cells by means of energetic electrons
NASA Technical Reports Server (NTRS)
Vonross, O.
1980-01-01
A calculation of the short circuit current density (j sub sc) of a thin GaAs solar cell induced by fast electrons is presented. It is shown that in spite of the disparity in thickness between the N-type portion of the junction and the P-type portion of the junction, the measurement of the bulk diffusion length L sub p of the N-type part of the junction is seriously hampered due to the presence of a sizable contribution to the j sub sc from the P-type region of the junction. Corrections of up to 50% had to be made in order to interpret the data correctly. Since these corrections were not amenable to direct measurements it is concluded that the electron beam method for the determination of the bulk minority carrier diffusion length, which works so well for Si solar cells, is a poor method when applied to thin GaAs cells.
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.
NASA Astrophysics Data System (ADS)
Piotrowski, T.; Węgrzecki, M.; Stolarski, M.; Krajewski, T.
2015-12-01
One of the key parameters determining detection properties of silicon PIN detector structures (p+-ν-n+ or n+-ν-p+) is minority carrier diffusion length in p-n junction regions p-n (p+-ν or n+-ν). The parameter concerned strongly depends on quality of the starting material and technological processes conducted and has a significant impact on detector parameters, in particular dark current intensity. Thus, the parameter must be determined in order to optimise the design and technology of detectors. The paper presents a method for measuring the spatial distribution of effective carrier diffusion length in silicon detector structures, based on the measurement of photoelectric current of a non-polarised structure illuminated (spot diameter of 250 μm) with monochromatic radiation of two wavelengths λ1 = 500 nm (silicon penetration depth of around 0.9 μm) and λ2 = 900 nm (silicon penetration depth of around 33 μm). The value of diffusion length was determined by analysing the spatial distribution of optical carrier generation and values of photoelectric currents.
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.
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.
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).
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
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.
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.
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.
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.
Enhancement of minority carrier diffusion length in grains of cast Si by hydrogen heat treatments
NASA Astrophysics Data System (ADS)
Mimila-Arroyo, J.; Duenas-Santos, F.; del Valle, J. L.
Minority carrier diffusion length (mcdl) enhancement in the bulk of grains of cast poly-silicon for solar cells has been produced by hydrogen heat treatments. Measurements made by LBIC method, showed an increase of mcdl in the bulk of grains from a mean value of 53 microns to a mean value of 69 microns, before and after the hydrogen heat treatments, respectively, under white light illumination. A mean increase ratio of 33% in the mcdl was obtained in a reproducible way and it was verified that hydrogen was effectively responsible. This result clearly establishes the hydrogen passivating role in this material
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.
Diffusion length measurement using the scanning electron microscope. [for silicon solar cell
NASA Technical Reports Server (NTRS)
Weizer, V. G.
1975-01-01
The present work describes a measuring technique employing the scanning electron microscope in which values of the true bulk diffusion length are obtained. It is shown that surface recombination effects can be eliminated through application of highly doped surface field layers. The effects of high injection level and low-high junction current generation are investigated. Results obtained with this technique are compared to those obtained by a penetrating radiation (X-ray) method, and a close agreement is found. The SEM technique is limited to cells that contain a back surface field layer.
Diffusion lengths in irradiated N/P InP-on-Si solar cells
NASA Technical Reports Server (NTRS)
Wojtczuk, Steven; Colerico, Claudia; Summers, Geoffrey P.; Walters, Robert J.; Burke, Edward A.
1996-01-01
Indium phosphide (InP) solar cells were made on silicon (Si) wafers (InP/Si) by to take advantage of both the radiation-hardness properties of the InP solar cell and the light weight and low cost of Si wafers. The InP/Si cell application is for long duration and/or high radiation orbit space missions. Spire has made N/P InP/Si cells of sizes up to 2 cm by 4 cm with beginning-of-life (BOL) AM0 efficiencies over 13% (one-sun, 28C). These InP/Si cells have higher absolute efficiency and power density after a high radiation dose than gallium arsenide (GaAs) or silicon (Si) solar cells after a fluence of about 2e15 1 MeV electrons/sq. cm. In this work, we investigate the minority carrier (electron) base diffusion lengths in the N/P InP/Si cells. A quantum efficiency model was constructed for a 12% BOL AM0 N/P InP/Si cell which agreed well with the absolutely measured quantum efficiency and the sun-simulator measured AM0 photocurrent (30.1 mA/sq. cm). This model was then used to generate a table of AM0 photocurrents for a range of base diffusion lengths. AM0 photocurrents were then measured for irradiations up to 7.7e16 1 MeV electrons/sq. cm (the 12% BOL cell was 8% after the final irradiation). By comparing the measured photocurrents with the predicted photocurrents, base diffusion lengths were assigned at each fluence level. A damage coefficient K of 4e-8 and a starting (unirradiated) base electron diffusion length of 0.8 microns fits the data well. The quantum efficiency was measured again at the end of the experiment to verify that the photocurrent predicted by the model (25.5 mA/sq. cm) agreed with the simulator-measured photocurrent after irradiation (25.7 mA/sq. cm).
Multiwavelength analyzer for the determination of diffusion lengths. [in solar cell base region
NASA Technical Reports Server (NTRS)
Stafsudd, O. M.; Davis, G. E.; Jansen, M.
1983-01-01
The minority carrier diffusion length Ln in the base or substrate region is an important parameter which governs a solar cell's performance. The present investigation is concerned with the development of a multiwavelength analyzer (MWA) technique for the nondestructive spatial testing of polycrystalline solar cells. The MWA method is based on the utilization of the short-circuit current generated by two or more light-emitting diodes (LEDs) operating at different wavelengths and modulated 180 deg out-of-phase. For a determination of Ln by the MWA technique, it is necessary to know the value of the absorption coefficient.
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
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.
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
NASA Astrophysics Data System (ADS)
Lagowski, J.; Aleynikov, A.; Savtchouk, A.; Edelman, P.
2004-07-01
The Ultimate surface photovoltage method of minority carrier diffusion length measurements reffered to as Ultimate SPV, replaces a sequential “one wavelength at a time” approach with simultaneous illumination with the entire set of wavelengths. In this multiwavelength beam, each monochromatic component is chopped with slightly different frequency. This enables simultaneous monitoring of all component SPV signals corresponding to different wavelengths using multi-frequency signal processing. The amplitude and phase of each component signals are then analyzed and used to calculate the diffusion length and surface lifetime. In-flight Ultimate SPV measurement, whereby the wafer continuously moves under SPV probe, is used for fast whole wafer mapping. In addition to speed advantages, Ultimate SPV offers a fundemental accuracy advantage due to elimination of differences in wafer condition during sequential illumination with individual wavelengths. High-speed measurements make it possible to add additional wafer treatments and perform multi-mapping required for separation of Fe and Cu in the silicon bulk. Wafer mapping in time of 2 minutes realized with Ultimate SPV is critical for monitoring of cobalt in silicon.
Diffusion lengths in irradiated N/P InP-on-Si solar cells
NASA Technical Reports Server (NTRS)
Wojtczuk, Steven; Colerico, Claudia; Summers, Geoffrey P.; Walters, Robert J.; Burke, Edward A.
1995-01-01
Indium phosphide (InP) solar cells are being made on silicon (Si) wafers (InP/Si) to take advantage of both the radiation-hardness properties of the InP solar cell and the light weight and low cost of Si wafers compared to InP or germanium (Ge) wafers. The InP/Si cell application is for long duration and/or high radiation orbit space missions. InP/Si cells have higher absolute efficiency after a high radiation dose than gallium arsenide (GaAs) or silicon (Si) solar cells. In this work, base electron diffusion lengths in the N/P cell are extracted from measured AM0 short-circuit photocurrent at various irradiation levels out to an equivalent 1 MeV fluence of 1017 1 MeV electrons/sq cm for a 1 sq cm 12% BOL InP/Si cell. These values are then checked for consistency by comparing measured Voc data with a theoretical Voc model that includes a dark current term that depends on the extracted diffusion lengths.
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.
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.
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.
Determination of the diffusion length and the optical self absorption coefficient using EBIC model
NASA Astrophysics Data System (ADS)
Guermazi, S.; Guermazi, H.; Mlik, Y.; El Jani, B.; Grill, C.; Toureille, A.
2001-10-01
We have developed a model of calculation of the induced current due to an electron beam. The expression for the electron beam induced current (EBIC) with an extended generation profile is obtained via the resolution of a steady state continuity equation by the Green function method, satisfying appropriated boundary conditions to the physical model. The generation profile takes into account the lateral diffusion, the effect of defects, dislocations and recombination surfaces besides the number of absorbed electrons and that of diffuse electrons as a function of the depth. In the case of a Schottky diode Au/GaAs obtained by metalorganic vapour phase epitaxy (MOVPE) method, the theoretical induced current profile is compared to the experimental one and to theoretical profiles whose analytical expressions are given by van Roosbroeck and Bresse. The minority carriers diffusion length L_n = 2 μm and the optical self-absorption coefficient a=0.034 μm^{-1} can be deduced from the experimental current profile, measured by scanning electron microscopy. The theoretical curve, obtained from the proposed model is in a good agreement with the experimental one for surface recombination velocity 10^6 cm s^{-1} except for distances far from the depletion layer (x_0 > 2.3 μm) where the photocurrent produced by the multiple process of the reabsorbed recombination radiation is preponderant. Our results are in agreement with those obtained by other experimental techniques on the same samples.
NASA Astrophysics Data System (ADS)
Bandić, Z. Z.; Bridger, P. M.; Piquette, E. C.; McGill, T. C.
2000-02-01
The wide bandgap semiconductors GaN and AlGaN show promise as the high voltage standoff layers in high power heterostructure bipolar transistors and thyristors due to their electric breakdown characteristics. Material properties which significantly influence the design and performance of these devices are electron and hole diffusion lengths and recombination lifetimes. We report direct measurements of minority carrier diffusion lengths for both holes and electrons by electron beam induced current. For planar Schottky diodes on unintentionally doped n-type and p-type GaN grown by metal organic vapor phase deposition (MOCVD), the diffusion lengths were found to be (0.28±0.03) μm for holes and (0.2±0.05) μm for electrons. Minority carrier lifetimes of approximately 7 ns for holes and 0.1 ns for electrons were estimated from these measured diffusion lengths and mobilities. In the case of GaN grown by halide vapor phase epitaxy (HVPE) diffusion lengths in the 1-2 μm range were found. We attempt to correlate the measured diffusion lengths and lifetimes with the structural properties of GaN and to explain why linear dislocations might act as a recombination centers. We calculate the performance of nitride based bipolar devices, in particular thyristor switches. The forward voltage drop across standoff layer of the nitride based thyristor switch is shown to significantly depend on the minority carrier (hole) lifetime.
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.
Temperature dependence of diffusion length, lifetime and minority electron mobility in GaInP
Schultes, F. J.; Haegel, N. M.; Christian, T.; Alberi, K.; Fluegel, B.; Jones-Albertus, R.; Pickett, E.; Liu, T.; Misra, P.; Sukiasyan, A.; Yuen, H.
2013-12-09
The mobility of electrons in double heterostructures of p-type Ga{sub 0.50}In{sub 0.50}P has been determined by measuring minority carrier diffusion length and lifetime. The minority electron mobility increases monotonically from 300 K to 5 K, limited primarily by optical phonon and alloy scattering. Comparison to majority electron mobility over the same temperature range in comparably doped samples shows a significant reduction in ionized impurity scattering at lower temperatures, due to differences in interaction of repulsive versus attractive carriers with ionized dopant sites. These results should be useful in modeling and optimization for multi-junction solar cells and other optoelectronic devices.
NASA Astrophysics Data System (ADS)
Wawer, P.; Rochel, M.; Wagemann, H.-G.
1999-06-01
In this work we present a conclusive separation of bulk and surface recombination properties of solar cells. For this purpose, bifacial silicon solar cells were fabricated. The backside differential spectral response of the cells has been measured in the presence of bias light, both with and without backside passivation by means of corona charging on top of a thermal oxide. Employing the common one-dimensional Shockley model, the measurement curves have been simulated. This enables the base diffusion length to be distinguished from the backside surface recombination velocity. As such, their values have been determined individually. Repeating this procedure for different intensities of bias light has yielded the nonlinear behavior of the recombination mechanisms. By applying the Schockley-Read-Hall recombination theory, it was deduced that Fe interstitials presumably are the predominant bulk recombination centers.
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.
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.
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)
Magnetism of C adatoms on BN nanostructures: implications for functional nanodevices.
Li, Jia; Zhou, Gang; Chen, Ying; Gu, Bing-Lin; Duan, Wenhui
2009-02-11
Spin-polarized density functional calculations reveal that magnetism can be induced by carbon adatoms on boron nitride nanotubes (BNNTs) and BN hexagonal sheets. As a result of the localization of impurity states, these hybrid sp-electron systems are spin-polarized, with a local magnetic moment of 2.0 mu(B) per C adatom regardless of the tube diameter and the bonding between the C atom and the BNNTs/BN sheets. An analysis of orbital hybridization indicates that two valence electrons participate in the bonding and the remaining two electrons of the C adatom are confined at the adsorption site and contribute to the magnetism accordingly. The effective interaction distance between the C-induced magnetic moments is evaluated. In terms of the diffusion barrier and the adsorption energy of C adatoms on the BN nanotubes/sheets, a fabrication method for BN-C-based functional nanodevices is proposed, and a series of virtual building blocks for functional devices are illustrated. PMID:19154109
Determination of the positron diffusion length in Kapton by analysing the positronium emission
NASA Astrophysics Data System (ADS)
Palacio, C. A.; De Baerdemaeker, J.; Dauwe, C.
2008-10-01
Doppler profile spectroscopy and Compton-to-peak ratio analysis have been used to study the positronium (Ps) emission from the Kapton surface as a function of the positron implantation energy E. Two different positions for the sample have been performed in the experiment. In the first case the sample and the Ge-detector are perpendicular to the positron beam. With this geometry the emission of para-positronium (p-Ps) is detected as a narrow central peak. In the second case, by rotating the sample 45° with respect to the beam axis, the emission of p-Ps is detected as a blue-shifted fly away peak. The implantation of the positrons is described by the Makhov profile, where we used the modified median implantation for polymers as given by Algers et al. [J. Algers, P. Sperr, W. Egger, G. Kögel, F.H.J. Maurer, Phys. Rev. B 67 (2003) 125404]. Thermalised positrons can diffuse to the surface and may pick up an electron to be emitted as Ps. We found a thermal and or epithermal positron diffusion length L+ = 5.43 ± 0.71 nm and L+ = 5.51 ± 0.28 nm correspondingly for both cases, which is much more than the one found by Brusa et al. [R.S. Brusa, A. Dupasquier, E. Galvanetto, A. Zecca, Appl. Phys. A 54 (1992) 233]. The respective efficiency for the emission of Ps by picking up an electron from the surface is found to be fpu = 0.247 ± 0.012 and fpu = 0.156 ± 0.003.
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)
Lee, In-Hwan; Polyakov, A. Y.; Smirnov, N. B.; Yakimov, E. B.; Tarelkin, S. A.; Turutin, A. V.; Shemerov, I. V.; Pearton, S. J.
2016-05-01
A wide variety of parameters were measured for undoped n-GaN grown by hydride vapor phase epitaxy and compared to n-GaN films grown by conventional and lateral overgrowth metalorganic chemical vapor deposition. The parameters included deep level electron and hole trap spectra, microcathodoluminescence, electron beam induced current, diffusion length, and electron capture cross section from the dependence of the low temperature persistent photocapacitance on forward bias injection pulse duration. The results show a prominent role of electron traps with levels near Ec-0.56 eV in limiting the lifetime and diffusion length values in all these materials.
NASA Astrophysics Data System (ADS)
Toušek, J.; Toušková, J.; Remeš, Z.; Čermák, J.; Kousal, J.; Kindl, D.; Kuřitka, I.
2012-11-01
Novelized method of the surface photovoltage (SPV) measurement convenient for evaluation of exciton diffusion length and thickness of the space charge region (SCR) in organic semiconductors is applied to poly[2-methoxy-5-(2'-ethyl-hexyloxy)-p-phenylene vinylene] (MEH-PPV) polymer. Exciton diffusion length and thickness of the SCR was found. The experiment is complemented by measurements of surface potential by the Kelvin probe force microscopy yielding the work function and concentration of free holes. The latter value is much lower than the concentration of ionized states determined from the thickness of the space charge region, which can be ascribed to the presence of traps.
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.
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)
Lutsenko, E. V.; Gurskii, A. L.; Pavlovskii, V. N.; Yablonskii, G. P.; Malinauskas, T.; Jarainas, K.; Schineller, B.; Heuken, M.
2006-06-01
Two optical techniques for the determination of a bipolar diffusion length LD of optically excited carriers in GaN epitaxial layers, namely a time-resolved picosecond four-wave mixing (FWM) on free carrier grating and time-integrated photoluminescence (PL) are presented and examined. The PL technique is based on time-integrated photoluminescence (PL) spectra measurements from the front and back sides of the sample under cw and nanosecond pulsed laser excitation. The another method utilizes time-resolved picosecond four-wave mixing (FWM) at various light-induced grating periods to extract diffusion coefficient and carrier recombination lifetime. The value of the diffusion length derived by means of FWM decreases with GaN layer thickness from LD = 260 nm (for 1.7 m-thick layer) to LD = 100 nm (for 0.3 m-thick layer). The integral PL measurements give the value of LD = 120-130 nm for the 620 nm layer under pulsed excitation intensities up to 200 kW/cm2. It increases to 150-170 nm at the excitation intensity enhancement to 1 MW/cm2. These values are close to the value of the diffusion length equal to 160 nm obtained using FWM for this layer thickness evidencing the compatibility of both methods. The changes in the value of LD are discussed in terms of the defect distribution in the epitaxial GaN layer.
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.
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.
NASA Astrophysics Data System (ADS)
Verlinden, Pierre; Van de Wiele, Fernand
1985-03-01
A method is proposed for measuring the diffusion length and surface recombination velocity of Interdigitated Back Contact (IBC) solar cells by means of a simple linear regression on experimental quantum efficiency values versus the inverse of the absorption coefficient. This method is extended to the case of Front Surface Field (FSF) solar cells. Under certain conditions, the real or the effective surface recombination velocity may be measured.
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
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
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. PMID:25372279
Spin-transfer torque on a single magnetic adatom
NASA Astrophysics Data System (ADS)
Delgado, Fernando; José Palacios, Juan; Fernández-Rossier, Joaquín
2010-03-01
We theoretically show how the spin orientation of a single magnetic adatom can be controlled by spin polarized electrons in a scanning tunnelling microscope configuration. The underlying physical mechanism is spin assisted inelastic tunnelling. Experiments with Mn adatoms deposited on a Cu2N surface have been reported for non-polarized currents [1-2]. We show that by changing the direction of the applied current, the orientation of the magnetic adatom can be completely reversed on a time scale that ranges from a few nanoseconds to microseconds, depending on bias and temperature. The changes in the adatom magnetization direction are, in turn, reflected in the tunnelling conductance. Therefore, this effect opens the possibility of writing/reading a single spin without the need of a local magnetic field.[4pt] [1] C.F. Hirjibehedin, C. P. Lutz, A. J. Heinrich, Science 312, 1021 (2006).[0pt] [2] C. Hirjibehedin et al., Science 317, 1199 (2007).
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.
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.
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.
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.
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.
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.
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.
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).
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
Donatini, F; de Luna Bugallo, Andres; Tchoulfian, Pierre; Chicot, Gauthier; Sartel, Corinne; Sallet, Vincent; Pernot, Julien
2016-05-11
Whereas nanowire (NW)-based devices offer numerous advantages compared to bulk ones, their performances are frequently limited by an incomplete understanding of their properties where surface effect should be carefully considered. Here, we demonstrate the ability to spatially map the electric field and determine the exciton diffusion length in NW by using an electron beam as the single excitation source. This approach is performed on numerous single ZnO NW Schottky diodes whose NW radius vary from 42.5 to 175 nm. The dominant impact of the surface on the NW properties is revealed through the comparison of three different physical quantities recorded on the same NW: electron-beam induced current, cathodoluminescence, and secondary electron signal. Indeed, the space charge region near the Schottky contact exhibits an unusual linear variation with reverse bias whatever the NW radius. On the contrary, the exciton diffusion length is shown to be controlled by the NW radius through surface recombination. This systematic comparison performed on a single ZnO NW demonstrates the power of these complementary techniques in understanding NW properties. PMID:27105083
NASA Astrophysics Data System (ADS)
Cavalcoli, D.; Cavallini, A.; Castaldini, A.
1991-08-01
The diffusion length of minority carriers in n-type floating-zone Si samples is obtained with the electron-beam-induced current technique in planar configuration. The charge collection current data as a function of the beam-junction distance are analyzed on the basis of the ``moment method'' developed by Donolato [C. Donolato, Solid-State Electron. 28, 1143 (1985)], which is based on the calculation of the variance of the derivative of the current profile. With respect to other methods reported in literature, this has the advantage that it requires no assumptions on the surface recombination velocity and thus provides a diffusion length value free from its influence. The data are also analyzed with the asymptotic method, which requires conventional assumptions on the surface recombination velocity. The comparison between the results has allowed us to test the capabilities of the above-mentioned method. Particular attention is paid to the injection level and its influence on bulk and surface properties.
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.
NASA Astrophysics Data System (ADS)
Otrokov, Mikhail; Ryabishchenkova, Anastasia; Gosalvez, Miguel Angel; Kuznetsov, Vladimir; Chulkov, Evgueni
We present the results of an ab initio study of the adsorption, diffusion, and intercalation of alkali metal adatoms on the (0001) stepped surface of the topological insulator Bi2Se3 for the case of low coverage. The calculations of the activation energies of the adatoms diffusion on the surface and in the van der Waals gaps near the steps, as well as the estimation of diffusion lengths, show that efficient intercalation through the 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 start before intercalation. These results are discussed in the context of the experimental data available.
Strong correlation effects in theoretical STM studies of magnetic adatoms
NASA Astrophysics Data System (ADS)
Dang, Hung T.; dos Santos Dias, Manuel; Liebsch, Ansgar; Lounis, Samir
2016-03-01
We present a theoretical study for the scanning tunneling microscopy (STM) spectra of surface-supported magnetic nanostructures, incorporating strong correlation effects. As concrete examples, we study Co and Mn adatoms on the Cu(111) surface, which are expected to represent the opposite limits of Kondo physics and local moment behavior, using a combination of density functional theory and both quantum Monte Carlo and exact diagonalization impurity solvers. We examine in detail the effects of temperature T , correlation strength U , and impurity d electron occupancy Nd on the local density of states. We also study the effective coherence energy scale, i.e., the Kondo temperature TK, which can be extracted from the STM spectra. Theoretical STM spectra are computed as a function of STM tip position relative to each adatom. Because of the multiorbital nature of the adatoms, the STM spectra are shown to consist of a complicated superposition of orbital contributions, with different orbital symmetries, self-energies, and Kondo temperatures. For a Mn adatom, which is close to half-filling, the STM spectra are featureless near the Fermi level. On the other hand, the quasiparticle peak for a Co adatom gives rise to strongly position-dependent Fano line shapes.
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
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).
Disorder induced topological transition in graphene with random adatoms
NASA Astrophysics Data System (ADS)
Castro, Eduardo; López-Sancho, María; Vozmediano, María
2015-03-01
Abstract One of the first proposals for a two-dimensional topological insulator was made for graphene, the so called Kane-Mele model, but the very low spin-orbit coupling makes this phase undetectable. It has been suggested that randomly depositing certain heavy adatoms can amplify the effect by many orders, and that a dilute concentration should be enough to open a detectable topological gap. Still lacking, however, is a precise determination of the critical density of random adatoms based in the evolution of the topological index. Based in a finite size analysis of the topological index as a function of the density of randomly distributed adatoms, and also on the localization properties of the system accessed through the Lyapunov exponent, we not only determine the critical density but also establish the nature of this peculiar topological transition. EC acknowledge the financial support of FCT-Portugal through Grant No. EXPL/FIS-NAN/1720/2013.
Determination of minority carrier diffusion length of sprayed-Cu2ZnSnS4 thin films
NASA Astrophysics Data System (ADS)
Courel, Maykel; Valencia-Resendiz, E.; Pulgarín-Agudelo, F. A.; Vigil-Galán, O.
2016-04-01
Despite Cu2ZnSnS4(CZTS) is a potential candidate for solar cell applications, so far, low efficiency values have been reported. In particular, for spray-deposited CZTS, efficiencies lower than 2% are commonly achieved. It is well known that one of the most important parameters governing solar cell performance is minority carrier diffusion length (Ln). In this work, CZTS thin film solar cells with different compositional ratios are fabricated in order to study its impact on Ln values. The Ln parameter is calculated for sprayed-CZTS layers using external quantum efficiency measurements in conjunction with optical absorption coefficient versus wavelength measurements - for the first time. Values in the range of 0.11-0.17 μm are obtained emphasizing the need for improving sprayed-CZTS crystalline quality.
NASA Astrophysics Data System (ADS)
Nguyen, Minh-Hai; Ralph, D. C.; Buhrman, R. A.
2016-03-01
We report measurements of the spin torque efficiencies in perpendicularly magnetized Pt /Co bilayers where the Pt resistivity ρPt is strongly dependent on thickness tPt . The dampinglike spin Hall torque efficiency per unit current density ξDLj varies significantly with tPt , exhibiting a peak value ξDLj=0.12 at tPt=2.8 - 3.9 nm . In contrast, ξDLj/ρPt increases monotonically with tPt and saturates for tPt>5 nm , consistent with an intrinsic spin Hall effect mechanism, in which ξDLj is enhanced by an increase in ρPt . Assuming the Elliott-Yafet spin scattering mechanism dominates, we estimate that the spin diffusion length λs=(0.77 ±0.08 )×10-15 Ω .m2/ρPt .
Spectral functions of isolated Ce adatoms on paramagnetic surfaces.
Gardonio, S; Wehling, T O; Petaccia, L; Lizzit, S; Vilmercati, P; Goldoni, A; Karolak, M; Lichtenstein, A I; Carbone, C
2011-07-01
We report photoemission experiments revealing the full valence electron spectral function of Ce adatoms on Ag(111), W(110), and Rh(111) surfaces. A transfer of Ce 4f spectral weight from the ionization peak towards the Fermi level is demonstrated upon changing the substrate from Ag(111) to Rh(111). In the intermediate case of Ce on W(110) the ionization peak is found to be split. This evolution of the spectra is explained by means of first-principles theory, which clearly demonstrates that a reliable understanding of magnetic adatoms on metal surfaces requires simultaneous low and high energy spectroscopic information. PMID:21797632
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.
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).
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.
NASA Astrophysics Data System (ADS)
Yablonskii, G. P.; Gurskii, A. L.; Pavlovskii, V. N.; Lutsenko, E. V.; Zubialevich, V. Z.; Shulga, T. S.; Stognij, A. I.; Kalisch, H.; Szymakowski, A.; Jansen, R. H.; Alam, A.; Schineller, B.; Heuken, M.
2005-02-01
The carrier ambipolar diffusion length L of optically excited carriers in GaN epitaxial layers grown on sapphire substrate was estimated by an optical method using fitting of the experimental photoluminescence spectra recorded from the front and back sides of the samples by the theoretical equation describing light reflection, light absorption and carrier profile in the medium. The estimations were carried out in the range of excitation intensities from 5 W/cm 2 CW up to 1 MW/cm 2 (pulsed), using excitation at the wavelengths of 325, and 337.1 nm in order to vary the excited layer depth. It has been found that in the samples under study the value of L is about 120-130 nm and does not depend significantly on the excitation intensity up to 200 kW/cm 2. Further increase of excitation level leads to higher values of L about 150-170 nm, probably because of the electron-hole plasma expansion.
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
NASA Astrophysics Data System (ADS)
Yue, Z.; Prestgard, M. C.; Tiwari, A.; Raikh, M. E.
2016-01-01
We study theoretically the effective spin Hall properties of a composite consisting of two materials with and without spin-orbit (SO) coupling. In particular, we assume that SO material represents a system of grains in a matrix with no SO. We calculate the effective spin Hall angle and the effective spin diffusion length of the mixture. Our main qualitative finding is that, when the bare spin diffusion length is much smaller than the radius of the grain, the effective spin diffusion length is strongly enhanced, well beyond the "geometrical" factor. The physical origin of this additional enhancement is that, with small diffusion length, the spin current mostly flows around the grain without suffering much loss. We also demonstrate that the voltage, created by a spin current, is sensitive to a very weak magnetic field directed along the spin current, and even reverses sign in a certain domain of fields. The origin of this sensitivity is that the spin precession, caused by magnetic field, takes place outside the grains where SO is absent.
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.
Zero-Point Spin-Fluctuations of Single Adatoms.
Ibañez-Azpiroz, Julen; Dos Santos Dias, Manuel; Blügel, Stefan; Lounis, Samir
2016-07-13
Stabilizing the magnetic signal of single adatoms is a crucial step toward their successful usage in widespread technological applications such as high-density magnetic data storage devices. The quantum mechanical nature of these tiny objects, however, introduces intrinsic zero-point spin-fluctuations that tend to destabilize the local magnetic moment of interest by dwindling the magnetic anisotropy potential barrier even at absolute zero temperature. Here, we elucidate the origins and quantify the effect of the fundamental ingredients determining the magnitude of the fluctuations, namely, the (i) local magnetic moment, (ii) spin-orbit coupling, and (iii) electron-hole Stoner excitations. Based on a systematic first-principles study of 3d and 4d adatoms, we demonstrate that the transverse contribution of the fluctuations is comparable in size to the magnetic moment itself, leading to a remarkable ≳50% reduction of the magnetic anisotropy energy. Our analysis gives rise to a comprehensible diagram relating the fluctuation magnitude to characteristic features of adatoms, providing practical guidelines for designing magnetically stable nanomagnets with minimal quantum fluctuations. PMID:27248465
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.
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
Co adatoms on Cu surfaces: Ballistic conductance and Kondo temperature
NASA Astrophysics Data System (ADS)
Baruselli, P. P.; Requist, R.; Smogunov, A.; Fabrizio, M.; Tosatti, E.
2015-07-01
The Kondo zero-bias anomaly of Co adatoms probed by scanning tunneling microscopy is known to depend on the height of the tip above the surface, and this dependence is different on different low index Cu surfaces. On the (100) surface, the Kondo temperature first decreases then increases as the tip approaches the adatom, while on the (111) surface it is virtually unaffected. These trends are captured by combined density functional theory and numerical renormalization-group calculations. The adatoms are found to be described by an S =1 Anderson model on both surfaces, and ab initio calculations help identify the symmetry of the active d orbitals. We correctly reproduce the Fano line shape of the zero-bias anomaly for Co/Cu(100) in the tunneling regime but not in the contact regime, where it is probably dependent on the details of the tip and contact geometry. The line shape for Co/Cu(111) is presumably affected by the presence of surface states, which are not included in our method. We also discuss the role of symmetry, which is preserved in our model scattering geometry but most likely broken in experimental conditions.
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.
Misfit dislocations and adatom domain competitions in Cu/Ni (1 1¯ 1¯) heteroepitaxial growth
NASA Astrophysics Data System (ADS)
Zhou, Naigen; Gao, Huajian; Zhou, Lang
2009-04-01
Three-dimensional molecular dynamics simulations of Cu/Ni (1 1bar 1bar) heteroepitaxy were carried out based on the Sutton-Chen EAM potential. It was found that the heteroepitaxial growth leads to the nucleation and competitive growth of FCC and HCP domains in the surface adatom monolayer, leading to a network of misfit dislocations along the domain boundaries. Analyses on surface diffusion energy barriers and energy differences between FCC and HCP domains provide explanations why such domain competition mechanisms and the associated misfit dislocations are expected to play a prevalent role in heteroepitaxial growth.
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.
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
NASA Astrophysics Data System (ADS)
Chen, Y. T.; Karlsson, K. F.; Birch, J.; Holtz, P. O.
2016-02-01
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.
Tuning molecule-substrate coupling via deposition of metal adatoms
NASA Astrophysics Data System (ADS)
Yang, Hung-Hsiang; Tsai, Hsu-Han; Ying, Chi-Feng; Yang, Tsung-Han; Kaun, Chao-Cheng; Chen, Chun-hsien; Lin, Minn-Tsong
2015-11-01
Organic-inorganic hybrids constitute an important class of functional materials. The fundamentals at the molecular levels are, however, relatively unexplored. PTCDA (perylene-3,4,9,10-tetracarboxylic dianhydride) is a colorant and extensively applied in organic-based optoelectronic devices. PTCDA/Cu(111) and Fe-PTCDA/Cu(111) metal-organic hybrid monolayers are studied by low temperature scanning tunneling microscopy and spectroscopy (STS) and density functional theory (DFT). The former exhibits Moiré pattern-modulated molecular density of states while the latter adapts a commensurate adlattice. Both imaging and spectroscopic results suggest a strong hybridization between PTCDA molecules and Cu(111) substrate. Weak PTCDA-Cu(111) coupling can be obtained by the introduction of Fe adatoms. Compared to PTCDA/Cu(111), STS spectra of Fe-PTCDA/Cu(111) exhibit a higher energy and sharper features of the frontier orbitals. Together with the DFT results, we found that the PTCDA-Cu(111) coupling is attenuated by the presence of Fe adatoms and Fe-PTCDA coordination.
Tuning molecule-substrate coupling via deposition of metal adatoms.
Yang, Hung-Hsiang; Tsai, Hsu-Han; Ying, Chi-Feng; Yang, Tsung-Han; Kaun, Chao-Cheng; Chen, Chun-Hsien; Lin, Minn-Tsong
2015-11-14
Organic-inorganic hybrids constitute an important class of functional materials. The fundamentals at the molecular levels are, however, relatively unexplored. PTCDA (perylene-3,4,9,10-tetracarboxylic dianhydride) is a colorant and extensively applied in organic-based optoelectronic devices. PTCDA/Cu(111) and Fe-PTCDA/Cu(111) metal-organic hybrid monolayers are studied by low temperature scanning tunneling microscopy and spectroscopy (STS) and density functional theory (DFT). The former exhibits Moiré pattern-modulated molecular density of states while the latter adapts a commensurate adlattice. Both imaging and spectroscopic results suggest a strong hybridization between PTCDA molecules and Cu(111) substrate. Weak PTCDA-Cu(111) coupling can be obtained by the introduction of Fe adatoms. Compared to PTCDA/Cu(111), STS spectra of Fe-PTCDA/Cu(111) exhibit a higher energy and sharper features of the frontier orbitals. Together with the DFT results, we found that the PTCDA-Cu(111) coupling is attenuated by the presence of Fe adatoms and Fe-PTCDA coordination. PMID:26567677
Tunneling spectroscopy of a magnetic adatoms on topological insulator surfaces
NASA Astrophysics Data System (ADS)
Misiorny, M.; Bjerngaard, M.; Paaske, J.
In this communication, we address the question of how the presence of a magnetic impurity on a topological insulator (TI) surface manifests in the inelastic electron tunneling spectroscopy (IETS) when such a system is probed by a STM. For this purpose, we consider a single magnetic adatom with arbitrary spin, whose dynamics is governed by the local magnetic anisotropy. The spin is exchange-coupled to two-dimensional helical surface electrons, corresponding to the surface of a three-dimensional TI like Bi2Se3, with its characteristic hexagonally warped Dirac cone band structure. Employing an effective exchange-tunneling model, we calculate the non-linear differential conductance from a spin-polarized STM tip to the helical substrate, valid in the perturbative regime of weak exchange-tunneling and including the nonequilibrium pumping of the adatom spin states. The interplay between the magnetic anisotropy and the spin-momentum locked surface electrons is shown to give a number of specific imprints in the IETS, which could be investigated by spin-resolved scanning tunneling spectroscopy. M. Misiorny, M. Bjerngaard and J. Paaske, manuscript in preparation Work supported by the Polish Ministry of Science and Education as `Iuventus Plus' project (IP2014 030973) in years 2015-2016.
Atomistic simulation of the electronic states of adatoms in monolayer MoS{sub 2}
Chang, Jiwon; Larentis, Stefano; Tutuc, Emanuel; Register, Leonard F.; Banerjee, Sanjay K.
2014-04-07
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 (MoS{sub 2}). 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 MoS{sub 2} are examined as starting points to search for the most energetically stable configuration for each adatom-monolayer MoS{sub 2} 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.
Simulation study of asymmetric aggregation behavior of adatoms on Si(1 1 1)7×7
NASA Astrophysics Data System (ADS)
Wang, Daimu; Huang, Yinsheng; Wu, Yanning
2010-12-01
We perform detailed simulations of the nucleation and growth of adatoms on the Si(1 1 1)7×7 reconstructed surface based on a modified cooperative diffusion model, and analyze the effect of different asymmetric diffusion and aggregation mechanisms on the growth behavior. We demonstrate that the asymmetry controlled by the difference of effective binding energies between faulted and unfaulted half cells has a strong influence on the preference of occupation of faulted half cells at higher temperatures for both irreversible and partially reversible aggregation. Using the occupation preference as a measure of cluster ordering, the simulation clearly shows growth mode transition from random nucleation at low temperatures to ordered self-organized growth at high temperatures in the case of partially reversible aggregation.
Chern mosaic: Topology of chiral superconductivity on ferromagnetic adatom lattices
NASA Astrophysics Data System (ADS)
Röntynen, Joel; Ojanen, Teemu
2016-03-01
In this work, we will explore the properties of superconducting surfaces decorated by two-dimensional ferromagnetic adatom lattices. As discovered recently [Röntynen and Ojanen, Phys. Rev. Lett. 114, 236803 (2015), 10.1103/PhysRevLett.114.236803], in the presence of a Rashba spin-orbit coupling these systems may support topological superconductivity with complex phase diagrams and high Chern numbers. We show how the long-range hopping nature of the effective low-energy theory generically gives rise to a phase diagram covered by a Chern mosaic, a rich pattern of topological phases with large Chern numbers. We study different lattice geometries and the dependence of energy gaps and abundance of different phases as a function of system parameters. Our findings establish the studied system as one of the richest platforms for topological matter known to date.
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.
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.
Magnetism of Adatom on Bilayer Graphene and its Control: A First-principles Perspective
NASA Astrophysics Data System (ADS)
Saha-Dasgupta, Tanusri; Nafday, Dhani
2014-03-01
We present first-principles investigation of the electronic and magnetic properties of adatom on bilayer graphene within the framework of density functional theory. In particular, we study the influence of an applied gate-voltage which modifies the electronic states of the bilayer graphene as well as shifts the adatom energy states relative to that of the graphene energy states. Our study carried out for a choice of three different adatoms, Na, Cu and Fe, shows that the nature of adatom-graphene bonding evolves from ionic to covalent, in moving from alkali metal, Na to transition metal, Cu or Fe. This leads to the formation of magnetic moments in the latter cases (Cu, Fe) and its absence in the former (Na). Application of an external electric field to bilayer graphene, completely changes the scenario, switching on a magnetic moment for Na adatom, and switching off the magnetic moments for Cu, and Fe adatoms. Our results have important implications for fundamental studies of controlled adatom magnetism and spintronics application in nanotechnology. The authors thank Ministry of Earth Science and Department of Science and Technology, India for financial support.
Effects of adatoms and physisorbed molecules on the physical properties of antimonene
NASA Astrophysics Data System (ADS)
Üzengi Aktürk, O.; Aktürk, E.; Ciraci, S.
2016-01-01
A recent study predicted that a 2D single layer of antimony in buckled honeycomb as well as asymmetric washboard structures, named antimonene, is stable at high temperature and displays semiconducting properties. Based on first-principles, spin-polarized density functional calculations, we investigated chemisorption of selected adatoms and physisorption of molecules on two antimonene phases. Since adspecies-adspecies interaction is minimized by using large supercells, our results mimic the effects of isolated, single adatoms or molecules. We found that molecules such as H2,O2, and H2O neither form strong chemical bonds nor dissociate; they are physisorbed with a weak binding energy without affecting the properties of antimonene. The adatoms, such as H, Li, B, C, N, O, Al, In, Si, P, Cl, Ti, As, and Sb, are chemisorbed with significant binding energy, whereby the atomic and electronic structures are modified locally. Boron and carbon adatoms are implemented into buckled antimonene crystal leading to a local reconstruction of the crystal. Nitrogen gives rise to Stone-Wales type defects. The localized states originating from adatoms give rise to diversity of electronic structure. The lowest conduction and highest valence bands of antimonene in asymmetric washboard structures have very high curvature. Once combined with adatom states, these bands offer a variety of features. Specific adatoms lead to spin polarization, attain magnetic moments, and can attribute a half-metallic character to antimonene.
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
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
Xie, S.Y.; Yoon, S.F.; Wang, S.Z.
2005-04-01
We report the effects of ex situ thermal annealing on the deep-level defects and the minority-carrier electron diffusion length in Be-doped, p-type In{sub 0.03}Ga{sub 0.97}As{sub 0.99}N{sub 0.01} grown by solid source molecular-beam epitaxy. Deep-level transient spectroscopy measurements reveal two majority-carrier hole traps, HT1 (0.18 eV) and HT4 (0.59 eV), and two minority-carrier electron traps, ET1 (0.09 eV) and ET3 (0.41 eV), in the as-grown sample. For the sample with postgrowth thermal annealing, the overall deep-level defect-concentration is decreased. Two hole traps, HT2 (0.39 eV) and HT3 (0.41 eV), and one electron trap, ET2 (0.19 eV), are observed. We found that the minority-carrier electron diffusion length increases by {approx}30% and the leakage current of the InGaAsN/GaAs p-n junction decreases by 2-3 orders after thermal annealing. An increase of the net acceptor concentration after annealing is also observed and can be explained by a recently proposed three-center-complex model.
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). PMID:26266721
Partain, L.D.; Cohen, M.J.; Cape, J.A.; Fraas, L.M.; McLeod, P.S.; Dean, C.S.; Ransom, R.A.
1985-11-15
The vacuum metalorganic-chemical-vapor-deposition (Vacuum MOCVD) process was combined with two source purifications to grow p-GaAs epitaxial films of high quality. Theoretical modeling of quantum yield spectra measured on a specially configured n/sup +/-p sample determined the minority-carrier electron diffusion length to be 10 ..mu..m to within a factor of 2 in the p layer. The p doping was reduced to the 5 x 10/sup 17/ cm/sup -3/ level to avoid suppression of the diffusion length by Auger recombination. Multiple vacuum sublimations of dicyclopentadienyl magnesium (CP/sub 2/Mg), the source of Mg for p doping, reduced the contamination by air and by cyclopentadiene (CP) by an order of magnitude. A dry ice/acetone cold trap was operated at slightly below 180-Torr pressure to reduce the water vapor content of arsine, used as the As source, from the hundreds of ppm down level down to the 2 ppm range. The vacuum growth process reduced residual gas contamination. These techniques were combined to grow a p on n GaAs solar cell with an efficiency of 24% at air mass 1.5 (AM1.5).
NASA Astrophysics Data System (ADS)
Naderi, Ebadollah; Nanavati, Sachin P.; Majumder, Chiranjib; Ghaisas, S. V.
2014-03-01
In the present work we have calculated using density functional theory (DFT), diffusion barrier potentials on both the CdTe (111) surfaces, Cd terminated (A-type) & Te terminated (B-type). We employ nudge elastic band method (NEB) for obtaining the barrier potentials. The barrier is computed for Cd and for Te adatoms on both A-type and B-type surfaces. We report two energetically favourable positions along the normal to the surface, one above and other below the surface. The one above the surface has binding energy slightly more the one below. According to the results of this work, binding energy (in all cases) for adatoms are reasonable and close to experimental data. The barrier potential for hopping adatoms (Cd and Te) on both the surfaces is less than 0.35 eV. Apart from these most probable sites, there are other at least two sites on both the types of surfaces which are meta stable. We have also computed barriers for hopping to and from these meta stable positions. The present results can shade light on the defect formation mechanism in CdTe thin films during growth. The authors would like to thank C-DAC for the computing time on its PARAM series of supercomputers and DST Govt. of India, for partial funding.
Evans, J. W.; Bartelt, M. C.
2001-06-15
We consider the irreversible nucleation and growth of two-dimensional islands during submonolayer deposition in the regime of large island sizes. A quasihydrodynamic analysis of rate equations for island densities yields an ordinary differential equation (ODE) for the scaling function describing the island size distribution. This ODE involves the scaling function for the dependence on island size of {open_quotes}capture numbers{close_quotes} describing the aggregation of diffusing adatoms. The latter is determined via a quasihydrodynamic analysis of rate equations for the areas of {open_quotes}capture zones{close_quotes} surrounding islands. Alternatively, a more complicated analysis yields a partial differential equation (PDE) for the scaling function describing the joint probability distribution for island sizes and capture zone areas. Then, applying a moment analysis to this PDE, we obtain refined versions of the above ODE{close_quote}s, together with a third equation for the variance of the cell area distribution (for islands of a given size). The key nontrivial input to the above equations is a detailed characterization of nucleation. We analyze these equations for a general formulation of nucleation, as well as for an idealized picture considered previously, wherein nucleated islands have capture zones lying completely within those of existing islands.
Neutral currents probed by non-local transport in graphene with 5 d metal adatoms
NASA Astrophysics Data System (ADS)
Wang, Yilin; Cai, Xinghan; Xiao, Shudong; Bao, Wenzhong; Reutt-Robey, Janice; Fuhrer, Michael
Adsorption of adatoms on graphene has been theoretically proposed as an effective means to enhance spin-orbit coupling in graphene. Here we use the non-local measurement geometry to detect neutral currents (spin, valley, energy) through their Hall and inverse Hall effects. Single-layer graphene devices are probed in-situ in ultra-high vacuum while depositing 5 d heavy metal atoms (Ir, Au) at a temperature of 7 K. Surprisingly, we detect a non-local signal in pristine devices as well as metal-atom modified devices, with a consistent dependence of the signal on length and gate voltage for several devices. Changes in the non-local signal upon deposition of 5 d metal atoms appear governed by charge carrier mobility (reduced with increasing metal atom concentration) and are difficult to understand with spin Hall/inverse spin Hall effects alone due to increased spin-orbit coupling in graphene. We will discuss other possible origins of the non-local signal. This work was supported by the U.S. ONR MURI. MSF was supported by an ARC Laureate Fellowship.
Giant Magnetic Anisotropy of Co, Ru, and Os Adatoms on MgO (001) Surface.
Ou, Xuedong; Wang, Hongbo; Fan, Fengren; Li, Zhengwei; Wu, Hua
2015-12-18
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. PMID:26722941
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.
Magnetic adatoms as memory bits: A quantum master equation analysis
NASA Astrophysics Data System (ADS)
Karlewski, Christian; Marthaler, Michael; Märkl, Tobias; Balashov, Timofey; Wulfhekel, Wulf; Schön, Gerd
2015-06-01
Due to underlying symmetries, the ground states of magnetic adatoms may be highly stable, which opens perspectives for application as single-atom memory. A specific example is a single holmium atom (with J =8 ) on a platinum (111) surface for which exceptionally long lifetimes were observed in recent scanning tunneling microscopy studies. For control and read-out, the atom must be coupled to electronic contacts. Hence the spin dynamics of the system is governed by a quantum master equation. Our analysis shows that, in general, it cannot be reduced to a classical master equation in the basis of the unperturbed crystal-field Hamiltonian. Rather, depending on parameters and control fields, "environment-induced superselection" principles choose the appropriate set of basis states, which in turn determines the specific relaxation channels and lifetimes. Our simulations suggest that in ideal situations the lifetimes should be even longer than observed in the experiment. We, therefore, investigate the influence of various perturbations. We also study the initialization process of the state of the Ho atom by applied voltage pulses and conclude that fast, high fidelity preparation, on a 100 -ns time scale, should be possible.
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.
Diffusion of tungsten clusters on tungsten (110) surface
Chen, Dong; Hu, Wangyu; Yang, Jianyu; Deng, Huiqiu; Sun, Lixian; Gao, Fei
2009-04-01
Using molecular dynamics simulation and modified analytic embedded-atom method, we have investigated the self-diffusion of clusters on a tungsten (110) surface. As compared to the linear-chain configuration, the close-packed islands for tungsten clusters containing more than nine adatoms have been predicted to be more stable with the relatively lower binding energies. The migration energies show an interesting and oscillating behavior with increasing cluster size. The tetramer, hexamer and octamer have obviously higher migration energies than the others. The different atomic configurations and diffusion mechanisms have been determined during the diffusion processes. It is clear that the dimer-shearing mechanism occurs inside the hexamer, while it occurs at the periphery of heptamer. The successive hopping mechanism of individual atom is of critical importance in the migration of the clusters containing five or fewer adatoms. In addition, the diffusion of a cluster with nine adatoms is achieved through the changes of the cluster shape.
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.
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.
NASA Astrophysics Data System (ADS)
Gkinis, Vasileios; Simonsen, Sebastian B.; Buchardt, Susanne L.; Vinther, Bo M.; White, James W. C.
2013-04-01
The Holocene epoch as seen in the water isotopic records of polar ice cores is described by a relatively stable climate characterized by minimal fluctuations in temperature. Arguably, the most commonly used proxy in ice core studies, the ratios of water's stable isotopes, provide an insight in past temperatures via a linear relationship with temperature, commonly referred to as the isotope slope. However, the validity of this slope has been extensively debated. Based on borehole thermometry and gas isotope fractionation studies, it has been shown that temperature changes over the Bølling - Allerød and Younger Dryas transitions as well as several interstadial events have been underestimated by the water isotope slope. Additionally, isotopic artifacts related to ice sheet elevation changes, apparent between 6 and 10 ka b2k, result in a poor or even absent representation of the Holocene climatic optimum in the δ18O record from Greenland ice cores, contrary to what other paleoclimatic records from Northern latitudes indicate. In this study we present ongoing work on the use of the firn isotopic diffusion lengths as a high resolution proxy of the snow and firn temperature. Our reconstruction is based on the high resolution δ18O dataset from NGRIP. Water isotope diffusion is a process that occurs after deposition of the precipitation and takes place in the porous space of the firn until the close off depth. Assuming a diffusivity parameterization and based on a densification and strain rate history, it is possible to investigate the effects of temperature and accumulation on the diffusion length. By inverting the model we produce a temperature reconstruction for the last 15 ka. This temperature signal is independent of factors like the water vapor source location and temperature, the intensity of the atmospheric inversion over the deposition site and the presence or not of clear sky precipitation. In order for the reconstruction to reproduce the long term climate
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.
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
Ag adatom and dimer motion on Cu(1 1 0)(1 × 2) missing row surface
NASA Astrophysics Data System (ADS)
Sbiaai, Khalid; Eddiai, Adil; Boughaleb, Yahia; Hajjaji, Abdelowahed; Mazroui, M.'hammed; Kara, Abdelkader
2013-11-01
The diffusion of Ag monomer and dimer on Cu(1 1 0)(1 × 2) missing row reconstructed surface is investigated by using the molecular dynamics simulation based on semi-empirical many-body potentials derived from the embedded atom method. In the case of monomer diffusion, both simple jump and long jump follow an Arrhenius law in a large temperature range (300-500 K) but with a small difference in activation energy. The activation barrier energy for simple jump is found to be (0.27 ± 0.02) eV with corresponding prefactor 5.9 ps-1. However, for double jump we found Ea2 = (0.33 ± 0.05) eV. While in the case of dimer, we found that the adatoms activity is notably reduced at low temperature (T < 400 K) and the diffusion via dissociation-reassociation process is more favoured than the other processes. This finding is in a good agreement with the energetic prediction. The presence of concerted jump and leapfrog process is very rare due to their high corresponding activation energy.
Structure and magnetism of Mn, Fe, or Co adatoms on monolayer and bilayer black phosphorus
NASA Astrophysics Data System (ADS)
Wang, Hongbo; Zhu, Shasha; Fan, Fengren; Li, Zhengwei; Wu, Hua
2016-03-01
Black phosphorus (BP) is an emergent layered material and is currently explored for its potential applications in nanoelectronics. Here using density functional calculations, we investigate the structure and magnetism of transition metal (TM) adatoms (Mn, Fe, and Co) on the monolayer and bilayer BP. We find that while the TM adatoms prefer to occupy a valley site of the puckered monolayer BP and have a low-spin magnetic state, they could move to an interlayer interstitial site of the bilayer BP and turn into a high-spin state. In particular, Mn adatom at the valley site of monolayer BP has also a metastable high-spin state, and moreover, a low-spin to high-spin magnetic transition can readily be induced by a strain along the armchair direction. Then Mn adsorbed BP monolayer has a strain-tuning spin switch.
Reducing the In2O3(111) Surface Results in Ordered Indium Adatoms
Wagner, Margareta; Seiler, Steffen; Meyer, Bernd; Boatner, Lynn A; Schmid, M.; Diebold, U.
2014-01-01
The In2O3(111) surface can be transformed from an oxidized bulk termination to one that is covered by single In adatoms. As each adatom sits at one specific site within the surface unit cell they form a well-ordered (1 1) superstructure. Annealing at 500 C in O2 or in ultrahigh vacuum results in a fully reversible conversion between these two surface terminations; this transformation and intermediate stages were followed with Scanning Tunneling Microscopy (STM). Formation of this novel surface structure under reducing conditions is corroborated by Density Functional Theory (DFT). The reduced adatom-covered and the oxidized In2O3(111) surfaces are expected to exhibit different chemical and electronic properties, which can easily be exploited by the facile and reversible switching between the two terminations.
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.
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.
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. PMID:26066734
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.
Hopping Domain Wall Induced by Paired Adatoms on an Atomic Wire: Si(111)-(5×2)-Au
NASA Astrophysics Data System (ADS)
Kang, Pil-Gyu; Jeong, Hojin; Yeom, Han Woong
2008-04-01
We observed an inhomogeneous fluctuation along one-dimensional atomic wires self-assembled on a Si(111) surface using scanning tunneling microscopy. The fluctuation exhibits dynamic behavior at room temperature and is observed only in a specific geometric condition; the spacing between two neighboring adatom defects is discommensurate with the wire lattice. Upon cooling, the dynamic fluctuation freezes to show the existence of an atomic-scale dislocation or domain wall induced by such “unfavorably” paired adatoms. The microscopic characteristics of the dynamic fluctuation are explained in terms of a hopping solitonic domain wall, and a local potential for this motion imposed by the adatoms is quantified.
Maksymovych, P.; Sorescu, D.C.; Yates, J.T., Jr.
2006-10-06
Microscopic evidence for Au-adatom-induced self-assembly of alkanethiolate species on the Au(111) surface is presented. Based on STM measurements and density-functional theory calculations, a new model for the low-coverage self-assembled monolayer of alkanethiolate on the Au(111) surface is developed, which involves the adsorbate complexes incorporating Au adatoms. It is also concluded that the Au(111) herringbone reconstruction is lifted by the alkanethiolate self-assembly because the reconstructed surface layer provides reactive Au adatoms that drive self-assembly.
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.
Tight-binding description of spin-orbit coupling in graphene due to adatoms
NASA Astrophysics Data System (ADS)
Irmer, Susanne; Kochan, Denis; Zollner, Klaus; Gmitra, Martin; Frank, Tobias; Fabian, Jaroslav
We present realistic effective tight-binding models for proximity spin-orbit coupling in graphene due to adatoms at top, bridge, and hollow positions. The models are built from symmetry arguments and fitted to ab initio calculations for a variety of adsorbants, such as H, F, Cu, and CH3. For each of these adatoms we provide magnitudes for orbital couplings to the adsorbants, as well as the intrinsics, Rashba, and pseudospin-inversion asymmetry (PIA) couplings. Our models can be used to study spin relaxation, spin Hall effect, and spin transport using quantum transport models This work was supported by the DFG SFB 689 and GRK 1570, and by the European Union Seventh Framework Programme under Grant Agreement No. 604391 Graphene Flagship.
Drastic effect of V film orientation on the Fe adatoms magnetism
NASA Astrophysics Data System (ADS)
Yartseva, N. S.; Yartsev, S. V.; Demangeat, C.
2015-11-01
Effect of surface orientation of nonmagnetic bed material on magnetic properties of the peculiar magnetic adatoms groups (MAGs) is found by simulation. Here we present the results of periodic Anderson model calculations for MAGs on V. The MAGs are formed of the Fe adatoms arranged in triangles, ovals, or short chains and placed over V substrate with (001) or (110) surface orientation. It is shown that magnetism of the Fe-MAGs on V(001) surface can be totally suppressed by the V surroundings, whereas the V(110) surface orientation results in magnetization of the Fe-MAGs and onset of noncollinear atomic moments distribution. Noncollinearity strictly depends on symmetry of the Fe-MAG.
Si adatoms as catalyst for the growth of monolayer Al film on Si(111)
NASA Astrophysics Data System (ADS)
Teng, Jing; Zhang, Lixin; Wu, Kehui; Jiang, Ying; Guo, Jiandong; Guo, Qinlin; Ebert, Philipp; Sakurai, Toshio; Wang, Enge
2010-03-01
Recently, we reported the growth of atomically smooth Al(111) films on Si(111) with continuously controllable thickness down to the extreme level of 1 ML. Here, we study the underlying unexpected Si adatom-mediated clustering-melting mechanism by scanning tunneling microscopy and by the first-principles calculations. The Si adatoms in the initial Si(111)3x3-Al surface act as seeds to form SiAl2 clusters. The clusters are then transformed into Al(111)1x1 by incorporating further incoming Al atoms and spontaneously releasing the Si atoms, which then participate in the next cycle of the process. As a result, a two-dimensional growth of monolayer Al(111) is achieved.
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.
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.
Site switch of on-surface oxygen adatoms on Rh(111) -- a DFT study
NASA Astrophysics Data System (ADS)
Ganduglia-Pirovano, M. V.; Scheffler, M.
2000-03-01
Oxygen adatoms on Rh(111) at low coverage are known to occupy fcc adsorption sites, but at higher coverages, when also oxygen occupy subsurface sites, the on-surface adatoms switch from the fcc to the hcp adsorption sites (J. Wider, T. Greber, E. Wetli, T.J. Kreutz, P. Schwaller, J. Osterwalder, Surf. Sci. 417) 301 (1998).. We report density-functional theory calculations to analyze the nature of the surface chemical bond of adsorbed oxygen and how this changes with coverage. This also yields to an understanding of the preferred sites and the site-switch. In this context we argue that the Rh_3d and O_1s core level shifts (CLSs) and the adsorption induced change of the work function provide most useful information. We compute initial- and final-state contributions to the CLSs, and compare our results (geometry as well as CLSs) to recent experimental data (A. Baraldi, S. Lizzit, G. Comelli, G. Paolucci, R. Rosei (unpublished)). The dominant factor stabilizing the fcc-site for O adatoms but the hcp-site upon subsurface O formation is found to be an increased ionic contribution to the binding compared to the less stable hollow sites.
Tunneling anisotropic magnetoresistance effect of single adatoms on a noncollinear magnetic surface.
Caffrey, Nuala M; Schröder, Silke; Ferriani, Paolo; Heinze, Stefan
2014-10-01
The tunneling anisotropic magnetoresistance (TAMR) effect demonstrates the sensitivity of spin-polarized electron transport to the orientation of the magnetization with respect to the crystallographic axes. As the TAMR effect requires only a single magnetic electrode, in contrast to the tunneling magnetoresistance effect, it offers an attractive route to alternative spintronic applications. In this work we consider the TAMR effect at the single-atom limit by investigating the anisotropy of the local density of states (LDOS) in the vacuum above transition-metal adatoms adsorbed on a noncollinear magnetic surface, the monolayer of Mn on W(1 1 0). This surface presents a cycloidal spin spiral ground state with an angle of 173° between neighboring spins and thus allows a quasi-continuous exploration of the angular dependence of the TAMR of adsorbed adatoms using scanning tunneling microscopy. Using first-principle calculations, we investigate the TAMR of Co, Rh and Ir adatoms on Mn/W(1 1 0) and relate our results to the magnetization-direction-dependent changes in the LDOS. The anisotropic effect is found to be enhanced dramatically on the adsorption of heavy transition-metal atoms, with values of up to 50% predicted from our calculations. This effect will be measurable even with a non-magnetic STM tip. PMID:25212899
Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite
2014-01-01
The atomic-scale mechanisms underlying the growth of Ag on the (√2×√2)R45°-Fe3O4(001) surface were studied using scanning tunneling microscopy and density functional theory based calculations. For coverages up to 0.5 ML, Ag adatoms populate the surface exclusively; agglomeration into nanoparticles occurs only with the lifting of the reconstruction at 720 K. Above 0.5 ML, Ag clusters nucleate spontaneously and grow at the expense of the surrounding material with mild annealing. This unusual behavior results from a kinetic barrier associated with the (√2×√2)R45° reconstruction, which prevents adatoms from transitioning to the thermodynamically favorable 3D phase. The barrier is identified as the large separation between stable adsorption sites, which prevents homogeneous cluster nucleation and the instability of the Ag dimer against decay to two adatoms. Since the system is dominated by kinetics as long as the (√2×√2)R45° reconstruction exists, the growth is not well described by the traditional growth modes. It can be understood, however, as the result of supersaturation within an adsorption template system. PMID:24945923
Tuning Electronic and magnetic properties of phosphorene by vacancies and adatoms
NASA Astrophysics Data System (ADS)
Srivastava, Pooja; Hembram, K. P. S. S.; Mizuseki, Hiroshi; Lee, Kwang-Ryeol; Han, Sang Soo; Kim, Seungchul
2015-03-01
In the search of novel materials, phosphorene (2D layers of black phosphorus) has been synthesized recently. Intrinsic bandgap, hydrophilicity and anisotropic electron mobility make phosphorene different from graphene and also, its hole mobility is higher than that in MoS2. All these properties make it a very promising material for electronics and optoelectronics applications. As with other as-synthesized materials, phosphorene exhibits defects such as vacancies, and these defects can affect the properties of the material significantly. The present work provides a detailed understanding of various vacancy defects (mono- and di-vacancies) and their effect on the electronic and magnetic properties of phosphorene. We have also studied the effects of omnipresent non-metallic C/N/O and transition metal (TM) Fe/Co/Ni on the electronic and magnetic properties of phosphorene. We show that, for various adatom adsorbed pristine/defected phosphorene structures the magnetic moment can be tuned via the control of Fermi level. The magnetism for non-metallic adatom adsorbed pristine/defective phosphorene systems can be switch ON/OFF. TM adatoms provide extra flexibility by tuning the magnitude as well. We acknowledge support from KIST Institutional project (Grant No. 2E24630) and Industrial Strategic Technology Development Program (Grant No. 10041589) funded by the MOTIE, Korea.
Glancing-angle ion enhanced surface diffusion on gaAs(001) during molecular beam epitaxy.
DeLuca, P M; Ruthe, K C; Barnett, S A
2001-01-01
We describe the effects of glancing incidence 3-4 keV Ar ion bombardment on homoepitaxial growth on vicinal GaAs(001). The average adatom lifetime on surface terraces, measured during growth using specular ion scattering, decreased monotonically with increasing ion current density. The results indicated that surface diffusivity was increased by the ions. The ion beam also suppressed growth oscillations and decreased the film surface roughness. This indicates a change from two-dimensional island nucleation to step-flow growth due to increased adatom surface diffusivity. A simple model, involving direct momentum transfer from ions to adatoms, is shown to be consistent with the measured enhanced diffusion. PMID:11177806
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
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).
The nature of bonding and electronic properties of graphene and benzene with iridium adatoms.
Lazar, Petr; Granatier, Jaroslav; Klimeš, Jiří; Hobza, Pavel; Otyepka, Michal
2014-10-14
Recent theoretical simulations predicted that graphene decorated with Ir adatoms could realize a two-dimensional topological insulator with a substantial band gap. Our understanding of how the electronic properties of graphene change in the presence of metal adatoms is however still limited, as the binding is quite complex involving static and dynamic correlation effects together with relativistic contributions, which makes the theoretical description of such systems quite challenging. We applied the quantum chemical complete active space second order perturbation theory (CASPT2) method and density functional theory beyond the standard local density functional approach including relativistic spin-orbit coupling (SOC) effects on Ir-benzene and Ir-graphene complexes. The CASPT2-SOC method revealed a strong binding affinity of Ir for benzene (33.1 kcal mol(-1)) at a 1.81 Å distance, which was of a single reference character, and a weaker binding affinity (6.3 kcal mol(-1)) at 3.00 Å of a multireference character. In the Ir-graphene complex, the quartet ground-state of the Ir atom changed to the doublet state upon adsorption, and the binding energy predicted by optB86b-vdW-SOC functional remained high (33.8 kcal mol(-1)). In all cases the dynamic correlation effects significantly contributed to the binding. The density of states calculated with the hybrid functional HSE06 showed that the gap of 0.3 eV was induced in graphene by the adsorbed Ir atom even in scalar relativistic calculation, in contrast to metallic behaviour predicted by local density approximation. The results suggest that the strong correlation effects contribute to the opening of the band gap in graphene covered with the Ir adatoms. The value of the magnetic anisotropy energy of 0.1 kcal mol(-1) predicted by HSE06 is lower than those calculated using local functionals. PMID:25166887
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
Catalystlike behavior of Si adatoms in the growth of monolayer Al film on Si(111).
Teng, Jing; Zhang, Lixin; Jiang, Ying; Guo, Jiandong; Guo, Qinlin; Wang, Enge; Ebert, Philipp; Sakurai, T; Wu, Kehui
2010-07-01
The formation mechanism of monolayer Al(111)1x1 film on the Si(111) radical3x radical3-Al substrate was studied by scanning tunneling microscopy and first-principles calculations. We found that the Si adatoms on the radical3x radical3-Al substrate play important roles in the growth process. The growth of Al-1x1 islands is mediated by the formation and decomposition of SiAl(2) clusters. Based on experiments and theoretical simulations we propose a model where free Si atoms exhibit a catalystlike behavior by capturing and releasing Al atoms during the Al film growth. PMID:20614981
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
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
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.
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.
NASA Astrophysics Data System (ADS)
Etzkorn, M.; Hirjibehedin, C. F.; Lehnert, A.; Ouazi, S.; Rusponi, S.; Stepanow, S.; Gambardella, P.; Tieg, C.; Thakur, P.; Lichtenstein, A. I.; Shick, A. B.; Loth, S.; Heinrich, A. J.; Brune, H.
2015-11-01
We report on the magnetic properties of Fe and Co adatoms on a Cu2N /Cu(100 ) -c (2 ×2 ) surface investigated by x-ray magnetic dichroism measurements and density functional theory (DFT) calculations including the local coulomb interaction. We compare these results with properties formerly deduced from STM spin excitation spectroscopy (SES) performed on the individual adatoms. In particular we focus on the values of the local magnetic moments determined by XMCD compared to the expectation values derived from the description of the SES data. The angular dependence of the projected magnetic moments along the magnetic field, as measured by XMCD, can be understood on the basis of the SES Hamiltonian. In agreement with DFT, the XMCD measurements show large orbital contributions to the total magnetic moment for both magnetic adatoms.
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.
Activation of water on the TiO{sub 2} (110) surface: The case of Ti adatoms
Miao Meng; Liu Yingchun; Wang Qi; Wu Tao; Huang Liping; Gubbins, Keith E.; Nardelli, Marco Buongiorno
2012-02-14
Using first-principles calculations we have studied the reactions of water over Ti adatoms on the (110) surface of rutile TiO{sub 2}. Our results provide fundamental insights into the microscopic mechanisms that drive this reaction at the atomic level and assess the possibility of using this system to activate the water dissociation reaction. In particular, we show that a single water molecule dissociates exothermically with a small energy barrier of 0.17 eV. After dissociation, both H{sup +} and OH{sup -} ions bind strongly to the Ti adatom, which serves as an effective reactive center on the TiO{sub 2} surface. Finally, clustering of Ti adatoms does not improve the redox activity of the system and results in a slightly higher energy barrier for water dissociation.
Orbital signatures of Fano-Kondo line shapes in STM adatom spectroscopy
NASA Astrophysics Data System (ADS)
Frank, Sebastian; Jacob, David
2015-12-01
We investigate the orbital origin of the Fano-Kondo line shapes measured in STM spectroscopy of magnetic adatoms on metal substrates. To this end we calculate the low-bias tunnel spectra of a Co adatom on the (001) and (111) Cu surfaces with our density functional theory-based ab initio transport scheme augmented by local correlations. In order to associate different d orbitals with different Fano line shapes we only correlate individual 3 d orbitals instead of the full Co 3 d shell. We find that Kondo peaks arising in different d levels indeed give rise to different Fano features in the conductance spectra. Hence, the shape of measured Fano features allows us to draw some conclusions about the orbital responsible for the Kondo resonance, although the actual shape is also influenced by temperature, effective interaction, and charge fluctuations. Comparison with a simplified model shows that line shapes are mostly the result of interference between tunneling paths through the correlated d orbital and the s p -type orbitals on the Co atom. Very importantly, the amplitudes of the Fano features vary strongly among orbitals, with the 3 z2 orbital featuring by far the largest amplitude due to its strong direct coupling to the s -type conduction electrons.
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
NASA Astrophysics Data System (ADS)
Coffey, David; Diez-Ferrer, José Luis; Serrate, David; Ciria, Miguel; Fuente, César De La; Arnaudas, José Ignacio
2015-09-01
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.
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
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
Gavrilenko, V. I.; Wu, R. Q.; Downer, M. C.; Ekerdt, J. G.; Lim, D.; Parkinson, P.
2001-04-15
We present calculated second-harmonic-generation (SHG) spectra of the Si(001) surface based on a first-principles description of eigenvalues and eigenvectors using ab initio pseudopotentials. We also present SHG spectra for Ge-covered Si(001). The theoretical results explain all essential features of recent experimental SHG spectra of the Si(001)-(2x1) surface with low coverages of hydrogen and/or germanium, which alter the E{sub 1} resonance in contrasting ways. The strong adatom specificity of the spectra results from redistribution of the adatom-related electronic states on the surface.
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.
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 Astrophysics Data System (ADS)
Lounis, Samir; Bringer, Andreas; Blügel, Stefan
2010-03-01
Surfaces are an inversion asymmetric environment. In combination with the spin-orbit interaction, surface electrons experience a Rashba effect, which leads to spin-split surface states [1]. Having an adatom on such a surface, surface states scatter at it. Interferences are created from which, surprisingly, the fingerprints of spin-orbit coupling cannot be seen with a scanning tunneling microscope (STM) [2]. Instead of a single adatom, Walls and Heller [3] proposed to use a corral of atoms to create extra spin-orbit coupling related modulations in the charge density. Resting on multiple scattering theory, we propose to visualize such effects using a spin-polarized STM considering either a single magnetic adatom or a corral of magnetic adatoms.[4pt] [1] S. Lashell, B.A. McDougall, E. Jensen, Phys. Rev. Lett.77, 3419 (1996).[0pt] [2] L. Petersen and P. Hedegård, Surf. Sci. 49, 459 (2000).[0pt] [3] J.D. Walls and E.J. Heller, Nano Letters 7, 3377 (2007).
Oxidation-induced spin reorientation in Co adatoms and CoPd dimers on Ni/Cu(100)
NASA Astrophysics Data System (ADS)
Chen, K.; Beeck, T.; Fiedler, S.; Baev, I.; Wurth, W.; Martins, M.
2016-04-01
Ultrasmall magnetic clusters and adatoms are of strong current interest because of their possible use in future technological applications. Here, we demonstrate that the magnetic coupling between the adsorbates and the substrate can be significantly changed through oxidation. The magnetic properties of Co adatoms and CoPd dimers deposited on a remanently magnetized Ni/Cu(100) substrate have been investigated by x-ray absorption and x-ray magnetic circular dichroism spectroscopy at the Co L2 ,3 edges. Using spectral differences, pure and oxidized components are distinguished, and their respective magnetic moments are determined. The Co adatoms and the CoPd dimers are coupled ferromagnetically to the substrate, while their oxides, Co-O and CoPd-O, are coupled antiferromagnetically to the substrate. Along with the spin reorientation from the pure to the oxidized state, the magnetic moment of the adatom is highly reduced from Co to Co-O. In contrast, the magnetic moment of the dimer is of similar order for CoPd and CoPd-O.
NASA Astrophysics Data System (ADS)
Jain, G. C.; Singh, S. N.; Kotnala, R. K.
1983-04-01
A technique for measuring the diffusion length (L) of minority carriers in Si solar cells with base regions that feature a high-low junction at one end and a p-n junction at the other is presented. The p(+)-p-n(+) or n(+)-p-p(+) cell is illuminated by monochromatic light from the p(+) side and the short circuit current is measured as a function of the light intensity. The slope of the current in relation to the intensity is proportional to the ratio of the thickness of the cell (d) to L. The relationship is quantified and applied to the results of tests with Si cells with bifacial symmetry, cut from Czochralski-grown crystals. L is obtained directly, and the method is concluded to be applicable in cases where d/L is at least 0.6.
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.
Valence fluctuations and empty-state resonance for Fe adatom on a surface
NASA Astrophysics Data System (ADS)
Iskakov, S. N.; Mazurenko, V. V.; Valentyuk, M. V.; Lichtenstein, A. I.
2015-12-01
We report on the formation of the high-energy empty-state resonance in the electronic spectrum of the iron adatom on the Pt(111) surface. By using the combination of the first-principles methods and the finite-temperature exact diagonalization approach, we show that the resonance is the result of the valence fluctuations between atomic configurations of the impurity. Our theoretical finding is fully confirmed by the results of the scanning tunneling microscopy measurements [M. F. Crommie et al., Phys. Rev. B 48, 2851 (1993), 10.1103/PhysRevB.48.2851]. In contrast to the previous theoretical results obtained by using local spin density approximation, the paramagnetic state of the impurity in the experiment is naturally reproduced within our approach. This opens a way for interpretation of STM data collected earlier for metallic surface nanosystems with iron impurities.
Spin-sensitive shape asymmetry of adatoms on noncollinear magnetic substrates
NASA Astrophysics Data System (ADS)
Serrate, D.; Yoshida, Y.; Moro-Lagares, M.; Kubetzka, A.; Wiesendanger, R.
2016-03-01
The spin-resolved density of states of Co atoms on a noncollinear magnetic support displays a distinct shape contrast, which is superimposed on the regular height contrast in spin-polarized scanning tunneling microscopy. The apparent atom height follows the well-known cosine dependence on the angle formed by the tip and adatom local magnetization directions, whereas the shape contrast exhibits a sine dependence. We explain this effect in terms of a noncollinear spin density induced by the substrate, which in our case is the spin spiral of the Mn monolayer on W(110). The two independent contrast channels, apparent height and shape, are identified with the Co magnetization projections onto two orthogonal axes. As a result, all components of the overall atom magnetic moment vector can be determined with a single spin-sensitive tip in the absence of an external magnetic field. This result should be general for any atom deposited on noncollinear magnetic layers.
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. PMID:27243107
Ishida, H.; Terakura, K. )
1989-12-15
The electronic structure of potassium adatoms on the Si(001)-(2{times}1) surface is studied by first-principles calculations within the local-density-functional theory for a wide range of the K coverage ({Theta}) including low {Theta} values with negligibly small direct interactions among adatoms. The symmetric dimer model is assumed for the substrate Si which is modeled by a ten-layer slab. As possible adsorption sites for K, a raised site on the Si dimer chain and/or a valley site between two dimer chains are considered. The calculations are performed for {Theta} ranging from 1/6 to 1 in units of Si monolayers including the Levine model ({Theta}=(1/2)) and also recently proposed double-layer model ({Theta}=1). No free-electron-like surface band characteristic of the K 4{ital s} state appears in the Si gap even for higher {Theta}. However, the two gap states originating from the Si dangling bonds in the limit of {Theta}{r arrow}0 shift to higher binding energies by {similar to}0.5 eV with increasing {Theta} due to the kinetic energy lowering caused by the delocalization of their wave functions toward the overlayer. This is interpreted as a result of the Si-K hybridization which leads to the polarized covalent Si-K bond. The adatom region is essentially neutral even for lower {Theta} if the charge density is averaged in a K sphere, which implies that the adatom-induced dipole moment to reduce the work function shold be attributed to the adatom polarization due to the Si-K orbital mixing rather than the conventional {Theta}-dependent charge transfer.
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.
NASA Astrophysics Data System (ADS)
Longo, R. C.; Carrete, J.; Gallego, L. J.
2011-06-01
We performed extensive density-functional calculations of the structural, electronic, and magnetic properties of systems comprising one or two adatoms of Fe, Co, Ni, Ru, Rh, Pd, or Pt adsorbed on a hydrogen-passivated zigzag graphene nanoribbon (GNR). In all cases, the most stable structure featured the adatom(s) at positions near one of the edges of the GNR. However, whereas in the most stable structures of the single-adatom systems Ni/GNR, Ru/GNR, Rh/GNR, and Pd/GNR the adatom was located above a bay of the zigzag edge, Fe/GNR and Co/GNR were found to be most stable when the adatoms were at a first-row hole site, while the two configurations were nearly equienergetic for Pt/GNR. Similarly, whereas the most stable structures of the two-adatom systems Ni2/GNR, Ru2/GNR, Rh2/GNR, and Pd2/GNR had the adatoms above two neighboring edge bays, Co2/GNR and Pt2/GNR were most stable with the adatoms stacked in a double-decker configuration above a single edge bay, and Fe2/GNR with the adatoms stacked at a single first-row hole site. Adatom adsorption involved strong hybridization between the metal d states and the GNR states, and adsorption at sites near a GNR edge generally reduced the average magnetic moment of carbon atoms at that edge to near zero, though in some cases—notably two Co2/GNR configurations—it led to the GNR edges having non-negligible magnetic moments of the same sign even though at the start of the optimization the metal atoms were nonmagnetic and the GNR edges had opposite signs (the preferred configuration of the pristine GNR). The electronic character of GNRs with adsorbed transition metal atoms or dimers depended on the species and concentration of the adsorbate and on the adsorption site(s), different stable or near-stable systems exhibiting semiconducting, zero-gap semiconducting, metallic, or half-metallic behavior.
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.
Surface-state Mediated Interactions: Analytic and Numerical Results for 3 Adatoms
NASA Astrophysics Data System (ADS)
Hyldgaard, Per; Einstein, T. L.
2002-03-01
When mediated by an isotropic Shockley surface-state band (e.g. on noble-metal (111) surfaces), indirect oscillatory electronic interactions between adsorbed atoms(TLE, in Handbook of Surf. Sci.) 1, ed. W. N. Unertl (Elsevier, 1996). are both strong and (in contrast to bulk-mediated interactions) slowly decaying with separation. Moreover, their simple analytical form(P. Hyldgaard and M. Persson, J. Phys.: Cond. Matt. 12), L13 (2000). has been observed experimentally.(J. Repp et al., PRL 85), 2981 (2000); K. Knorr et al., preprint. The s-wave phase shift needed for analysis is obtained from STM images of standing-wave patterns. The interaction of three adsorbed atoms is the sum of the 3 such pair energies plus a trio contribution from electrons traversing the perimeter, d, of the three-adatom cluster.^2,(T. L. Einstein, Surf. Sci. 84), L497 (1979). This trio contribution has a slightly weaker amplitude than the pair energy and a slightly faster asymptotic envelope decay, d-5/2. It also has a different but well-defined d-dependent oscillation period. The asymptotic description is compared with exact model calculations. It should be observable experimentally. http://www2.physics.umd.edu/ einstein/
NASA Technical Reports Server (NTRS)
Karimi, Majid
1993-01-01
Understanding surface diffusion is essential in understanding surface phenomena, such as crystal growth, thin film growth, corrosion, physisorption, and chemisorption. Because of its importance, various experimental and theoretical efforts have been directed to understand this phenomena. The Field Ion Microscope (FIM) has been the major experimental tool for studying surface diffusion. FIM have been employed by various research groups to study surface diffusion of adatoms. Because of limitations of the FIM, such studies are only limited to a few surfaces: nickel, platinum, aluminum, iridium, tungsten, and rhodium. From the theoretical standpoint, various atomistic simulations are performed to study surface diffusion. In most of these calculations the Embedded Atom Method (EAM) along with the molecular static (MS) simulation are utilized. The EAM is a semi-empirical approach for modeling the interatomic interactions. The MS simulation is a technique for minimizing the total energy of a system of particles with respect to the positions of its particles. One of the objectives of this work is to develop the EAM functions for Cu and use them in conjunction with the molecular static (MS) simulation to study diffusion of a Cu atom on a perfect as well as stepped Cu(100) surfaces. This will provide a test of the validity of the EAM functions on Cu(100) surface and near the stepped environments. In particular, we construct a terrace-ledge-kink (TLK) model and calculate the migration energies of an atom on a terrace, near a ledge site, near a kink site, and going over a descending step. We have also calculated formation energies of an atom on the bare surface, a vacancy in the surface, a stepped surface, and a stepped-kink surface. Our results are compared with the available experimental and theoretical results.
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)
Jeong, Hojin; Yeom, Han Woong; Jeong, Sukmin
2008-06-01
Using a first-principles calculation method, we study the changes in the atomic and electronic structures of the Si(111)3×3-Ag surface (hereafter 3-Ag ) via doping of extra Ag adatoms. We present a structural model for the adatom-induced 21×21 superstructure (21-Ag) , which has three Ag adatoms immersed into the substrate Ag layer within a unit cell. The present structural model reproduces well the measured scanning-tunneling-microscopy images as well as the electronic band structure measured by angle-resolved photoelectron spectroscopy. We find out that the complex band structure seen on the 21-Ag phase basically arises from the band folding of the original surface bands of 3-Ag . The extra Ag adatoms doped on 3-Ag modify only the band alignment without any additional adatom-induced surface state. The almost unoccupied two-dimensional free-electron-like band, generally called S1 , at pristine 3-Ag is gradually filled and shifted downward with an increase in the dopant coverage. As this shifted S1 band crosses other surface bands, it loses its free-electron nature.
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.
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
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.
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
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.
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.
First principles investigation of the diffusion of interstitial Cu, Ag and Au in ZnTe
NASA Astrophysics Data System (ADS)
Chen, Li An; Zhu, Xing Feng; Chen, Ling Fu
2015-07-01
The diffusion is of great significance in many applications when the impurities are employed to tune the semiconductor's electrical or optical properties. It is necessary to understand how dopant defects diffuse in semiconductors. Using first-principles calculations, we consider interstitial diffusion mechanisms and calculate the migration barrier energies of interstitial Cu, Ag and Au atoms in II-VI compounds ZnTe. We find that the relative size of dopant and bulk atoms is an important factor which affects the diffusion behavior. The high symmetry Tc site, which is tetrahedrally coordinated by four cation atoms, is the global minimum energy location for Ag and Au interstitials. The size of Cu adatom is small, so Cu is more stable when it locates at the Ta site which is tetrahedrally coordinated by four anion atoms. But the global minimum energy location for Cu interstitials is M site which is of smaller space than Ta. Cu adatoms show an asymmetric curve of energy diffusion barrier with two energetically distinct extremum in the pathway. Ag diffuses along nearly straight line paths along [111] or equivalent directions. Diffusion for Cu or Au deviates from the straight line paths along <111> avoiding high symmetric sites.
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.
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.
ERIC Educational Resources Information Center
Boudreaux, Gregory M.; Wells, M. Scott
2007-01-01
Everyone with a thorough knowledge of single variable calculus knows that integration can be used to find the length of a curve on a given interval, called its arc length. Fortunately, if one endeavors to pose and solve more interesting problems than simply computing lengths of various curves, there are techniques available that do not require an…
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.
NASA Astrophysics Data System (ADS)
Xie, Yi-Qun; Liu, Qing-Wei; Zhang, Peng; Gan, Fu-Xi; Zhuang, Jun
2008-05-01
Using molecular statistics simulations based on the embedded atom method potential, we investigate the reliability of the lateral manipulation of single Pt adatom on Pt(111) surface with a single-atom tip for different tip heights (tip-surface distance) and tip orientations. In the higher tip-height range, tip orientation has little influence on the reliability of the manipulation, and there is an optimal manipulation reliability in this range. In the lower tip-height range the reliability is sensitive to the tip orientation, suggesting that we can obtain a better manipulation reliability with a proper tip orientation. These results can also be extended to the lateral manipulation of Pd adatom on Pd(111) surface.
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)
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.
Correlation length for interplanetary magnetic field fluctuations.
NASA Technical Reports Server (NTRS)
Fisk, L. A.; Sari, J. W.
1973-01-01
It is argued that it is necessary to consider two correlation lengths for interplanetary magnetic field fluctuations. For particles with gyroradii large enough to encounter and be scattered by large-scale tangential discontinuities in the field (particles with energies of above several GeV/nucleon) the appropriate correlation length is simply the mean spatial separation between the discontinuities. Particles with gyroradii much less than this mean separation appear to be unaffected by the discontinuities and respond only to smaller-scale field fluctuations. With this system of two correlation lengths the cosmic ray diffusion tensor may be altered from what was predicted by, for example, Jokipii and Coleman, and the objections raised recently by Klimas and Sandri to the diffusion analysis of Jokipii may apply only at relatively low energies (about 50 MeV/nucleon).
Diffusion limited aggregation. The role of surface diffusion
NASA Astrophysics Data System (ADS)
García-Ruiz, Juan M.; Otálora, Fermín
1991-11-01
We present a growth model in which the hitting particles are able to diffuse to more stable growth sites in the perimeter of a cluster growing by diffusion limited aggregation. By tuning the diffusion path Ls, the morphological output - from disordered fractal to perfect single crystals - can be controlled. Instabilities appear when the mean length of the crystal faces Lf are greater than 2 Ls.
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
Coefficients of Effective Length.
ERIC Educational Resources Information Center
Edwards, Roger H.
1981-01-01
Under certain conditions, a validity Coefficient of Effective Length (CEL) can produce highly misleading results. A modified coefficent is suggested for use when empirical studies indicate that underlying assumptions have been violated. (Author/BW)
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)
[Sonographic leg length measurement].
Holst, A; Thomas, W
1989-03-01
After brief presentation of the clinical and radiological methods to measure the leg length and the leg length difference the authors outline the new diagnostic method for measuring the leg length and the leg length difference by means of real time sonography. Postmortem tests and clinical examples show that ultrasound is ideal to determine exactly the length of femur and tibia. The joint gaps on the hip, knee and upper ankle joint can be demonstrated by means of a 5 MHz linear scanner. A 1 mm strong metal bar on the skin and under the scanner is placed at right angles to the longitudinal axis of the body so that the bar can be seen in the centre. A measuring device gives the distances of the joint gaps in cm so that the difference correspond to the real length of femur and tibia. This standardised measuring is done by a particularly developed bearing and measuring device. The results of the sonographical measurements on 20 corpses and checking after consecutive dissections showed in 75% of cases a 100% sonographic measuring accuracy of the total leg length. The separately considered results for femur (85%) and tibia (90) were even better. The maximum sonographic measuring fault was 1.0 cm for the femur (in one case) and 0.5 cm for the tibia, respectively. All sonographic measurements were performed with the Sonoline SL-1 of the Siemens Company (Erlangen, W-Germany). Thus, sonographical measuring of the leg length offers a reliable, non-invasive method that can be repeated as often as necessary and is simply executed.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2652268
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)
Wadle, Stephen; Wuest, Daniel; Cantalupo, John; Lakes, Roderic S.
1994-01-01
Holographic diffusers are prepared using silver halide (Agfa 8E75 and Kodak 649F) and photopolymer (Polaroid DMP 128 and DuPont 600, 705, and 150 series) media. It is possible to control the diffusion angle in three ways: by selection of the properties of the source diffuser, by control of its subtended angle, and by selection of the holographic medium. Several conventional diffusers based on refraction or scattering of light are examined for comparison.
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.
Appy, David; Lei, Huaping; Wang, Cai-Zhuang; Tringides, Michael C; Liu, Da-Jiang; Evans, James W; Thiel, Patricia A
2014-08-01
In this article, we review basic information about the interaction of transition metal atoms with the (0 0 0 1) surface of graphite, especially fundamental phenomena related to growth. Those phenomena involve adatom-surface bonding, diffusion, morphology of metal clusters, interactions with steps and sputter-induced defects, condensation, and desorption. General traits emerge which have not been summarized previously. Some of these features are rather surprising when compared with metal-on-metal adsorption and growth. Opportunities for future work are pointed out.
Document Length Normalization.
ERIC Educational Resources Information Center
Singhal, Amit; And Others
1996-01-01
Describes a study that investigated document retrieval relevance based on document length in an experimental text collection. Topics include term weighting and document ranking, retrieval strategies such as the vector-space cosine match, and a modified technique called the pivoted cosine normalization. (LRW)
Quasi-long range ordered hole-adatoms pairs on SrTiO3(110)-(4x1) surface
NASA Astrophysics Data System (ADS)
Guo, Jiandong; Li, Fengmiao; Wang, Zhiming; Meng, Sheng; Zhang, Zhiqiang
2012-02-01
The surface structure of transition metal oxides (TMOs) has been an important issue for chemistry and photocatalysis. We studied the surface of SrTiO3, which is a wide-gap semiconductor and has been believed useful for photo-induced water splitting. Specifically we focused on the (110) surface that bears intrinsic instability of reconstruction due to the surface polarity. The monophased (4x1)-reconstructed surface was obtained with the treatment of argon ion sputtering followed by annealing in ultra high vacuum. More interestingly, we observed a (4x10) quasi-long range ordered hole-adatom structure. The atomic configuration was identified by both experimentally adsorbing additional Sr atoms and density functional calculations. The ordering of the hole-adatom pairs was robust since its formation effectively released the stress on (4x1)-reconstructed SrTiO3(110) surface. Such a surface with ordered defects served as a good template for the guided growth of noble metal nanoclusters with controlled size and density.
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.
Carro, P; Torrelles, X; Salvarezza, R C
2014-09-21
Self-assembled monolayers of thiols on Au(111) have attracted considerable interest from the theoretical and experimental points of view as model systems for understanding the organization of molecules on metallic surfaces, and also as key elements in nanoscience and nanotechnology. Today, there is strong theoretical and experimental evidence indicating that the surface chemistry of these monolayers at high coverage involves dithiolate-adatom (RS-Auad-SR) species, showing the existence of the (3 × 4) and c(4 × 2) lattices usually observed by scanning tunneling microscopy. However, concealing the existence of dithiolate-Au adatom species with the presence of the paradigmatic (√3 × √3)R30° lattice, which dominates the structure of long alkanethiols, still remains a challenge. Here, we propose a novel (3√3 × 3√3)R30° structural model containing RS-Auad-SR moieties based on DFT calculations which reconciles most of the experimental data observed for the (√3 × √3)R30° lattice. Our results provide a unified picture of the surface chemistry of the thiol-Au(111) system. PMID:25093279
The dynamics of unsteady detonation with diffusion
Aslam, Tariq Dennis; Romick, Christopher; Powers, Joseph
2010-01-01
Here we consider an unsteady detonation with diffusion included. This introduces an interaction between the reaction length scales and diffusion length scales. Detailed kinetics introduce multiple length scales as shown though the spatial eigenvalue analysis of hydrogen-oxygen system; the smallest length scale is {approx} 10{sup 7} m and the largest {approx} 10{sup -2} m; away from equilibrium, the breadth can be larger. In this paper, we consider a simpler set of model equations, similar to the inviscid reactive compressible fluid equations, but include diffusion (in the form of thermal/energy, momentum, and mass diffusion). We will seek to reveal how the complex dynamics already discovered in one-step systems in the inviscid limit changes with the addition of diffusion.
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.
Interfacial diffusion aided deformation during nanoindentation
NASA Astrophysics Data System (ADS)
Samanta, Amit; E, Weinan
2016-07-01
Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material's ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.
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.
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.
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
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.
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.
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.
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
NASA Astrophysics Data System (ADS)
Jin, Hao; Dai, Ying; Huang, Bai-Biao
2016-03-01
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.
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 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.
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. PMID:27341245
Public Good Diffusion Limits Microbial Mutualism
NASA Astrophysics Data System (ADS)
Menon, Rajita; Korolev, Kirill S.
2015-04-01
Standard game theory cannot describe microbial interactions mediated by diffusible molecules. Nevertheless, we show that one can still model microbial dynamics using game theory with parameters renormalized by diffusion. Contrary to expectations, greater sharing of metabolites reduces the strength of cooperation and leads to species extinction via a nonequilibrium phase transition. We report analytic results for the critical diffusivity and the length scale of species intermixing. Species producing slower public good is favored by selection when fitness saturates with nutrient concentration.
Restricted Diffusion in Biophysical Systems
Cooper, Robert L.; Chang, David B.; Young, Allan C.; Martin, Carroll J.; Ancker-Johnson, Betsy
1974-01-01
The pulsed-gradient spin echo nuclear magnetic resonance (PGSENMR) technique was used to measure restricted diffusion of water in three types of animal tissue: human blood plasma and red cells; rat and rabbit heart; rat and rabbit liver. Characteristic lengths (L) for restriction of diffusion are estimated from dependence on the measuring time. Limitations on the range of observable restrictive lengths (1.5-15 μm) are discussed. The decrease in diffusivity due to 1 μm alumina powder (volume fraction = 0.18) in glycerin/water mixtures agrees with the Wang theory assuming spherical particles and no hydration. The characteristic length (L ≃ 4 μm) is larger than the particle size (1 μm) or separation (1.8 μm). Comparison of the diffusivities in tissues at short diffusion times with the Wang theory indicates some bound or trapped water. For packed red blood cells, a restriction (L ≃ 2.3 μm) was attributed tothe red cell membrane. A permeability p ≃ 0.014 cm/s may be estimated from the decrease in diffusivity. Average values of diffusivity ratio in heart were: 0.36 ± 0.02 for rat; and 0.26 ± 0.03 for rabbit; and in liver: 0.25 ± 0.01 for rat; 0.25 ± .04 for 10-day old rabbit; and 0.195 ± 0.03 for 2-yr old rabbit. A restriction (L ≃ 2.7 μm) in rat liver probably results from the mitochondria. PMID:4823458
Intensity dependence of the minority-carrier difusion length in amorphous silicon based alloys
NASA Astrophysics Data System (ADS)
Hack, M.; Shur, M.
1984-04-01
Many of the recent measurements of the minority-carrier diffusion length (Lp) in amorphous silicon based alloys have been based on a utilization of the surface photovoltage (SPV). In this case an equation relating photon flux and Lp under ideal conditions has to be modified because of the back diffusion of carriers and the effects of high field regions. To account for the high field region, the 'aparent' diffusion length has been determined for varying intensities of bias light. In the present investigation, a theoretical analysis shows that the zero field diffusion length is indeed intensity dependent and that this dependence can be directly related to the slope of the density of states near the valence band edge. The intensity dependence of the minority carrier diffusion length and the energy slope of the density of states near the valence band edge are obtained on the basis of experimental results.
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…
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
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)
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. PMID:19391727
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.
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.
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.
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
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)
Habib, S.
1994-10-01
We consider a simple quantum system subjected to a classical random force. Under certain conditions it is shown that the noise-averaged Wigner function of the system follows an integro-differential stochastic Liouville equation. In the simple case of polynomial noise-couplings this equation reduces to a generalized Fokker-Planck form. With nonlinear noise injection new ``quantum diffusion`` terms rise that have no counterpart in the classical case. Two special examples that are not of a Fokker-Planck form are discussed: the first with a localized noise source and the other with a spatially modulated noise source.
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)
Growth of Inclined GaAs Nanowires by Molecular Beam Epitaxy: Theory and Experiment
2010-01-01
The growth of inclined GaAs nanowires (NWs) during molecular beam epitaxy (MBE) on the rotating substrates is studied. The growth model provides explicitly the NW length as a function of radius, supersaturations, diffusion lengths and the tilt angle. Growth experiments are carried out on the GaAs(211)A and GaAs(111)B substrates. It is found that 20° inclined NWs are two times longer in average, which is explained by a larger impingement rate on their sidewalls. We find that the effective diffusion length at 550°C amounts to 12 nm for the surface adatoms and is more than 5,000 nm for the sidewall adatoms. Supersaturations of surface and sidewall adatoms are also estimated. The obtained results show the importance of sidewall adatoms in the MBE growth of NWs, neglected in a number of earlier studies. PMID:21076695
Spreading lengths of Hermite polynomials
NASA Astrophysics Data System (ADS)
Sánchez-Moreno, P.; Dehesa, J. S.; Manzano, D.; Yáñez, R. J.
2010-03-01
The Renyi, Shannon and Fisher spreading lengths of the classical or hypergeometric orthogonal polynomials, which are quantifiers of their distribution all over the orthogonality interval, are defined and investigated. These information-theoretic measures of the associated Rakhmanov probability density, which are direct measures of the polynomial spreading in the sense of having the same units as the variable, share interesting properties: invariance under translations and reflections, linear scaling and vanishing in the limit that the variable tends towards a given definite value. The expressions of the Renyi and Fisher lengths for the Hermite polynomials are computed in terms of the polynomial degree. The combinatorial multivariable Bell polynomials, which are shown to characterize the finite power of an arbitrary polynomial, play a relevant role for the computation of these information-theoretic lengths. Indeed these polynomials allow us to design an error-free computing approach for the entropic moments (weighted Lq-norms) of Hermite polynomials and subsequently for the Renyi and Tsallis entropies, as well as for the Renyi spreading lengths. Sharp bounds for the Shannon length of these polynomials are also given by means of an information-theoretic-based optimization procedure. Moreover, the existence of a linear correlation between the Shannon length (as well as the second-order Renyi length) and the standard deviation is computationally proved. Finally, the application to the most popular quantum-mechanical prototype system, the harmonic oscillator, is discussed and some relevant asymptotical open issues related to the entropic moments, mentioned previously, are posed.
When does length cause the word length effect?
Jalbert, Annie; Neath, Ian; Bireta, Tamra J; Surprenant, Aimée M
2011-03-01
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 evidence for time-based decay. However, previous studies investigating this effect have confounded length with orthographic neighborhood size. In the present study, Experiments 1A and 1B revealed typical effects of length when short and long words were equated on all relevant dimensions previously identified in the literature except for neighborhood size. In Experiment 2, consonant-vowel-consonant (CVC) words with a large orthographic neighborhood were better recalled than were CVC words with a small orthographic neighborhood. In Experiments 3 and 4, using two different sets of stimuli, we showed that when short (1-syllable) and long (3-syllable) items were equated for neighborhood size, the word length effect disappeared. Experiment 5 replicated this with spoken recall. We suggest that the word length effect may be better explained by the differences in linguistic and lexical properties of short and long words rather than by length per se. These results add to the growing literature showing problems for theories of memory that include decay offset by rehearsal as a central feature. PMID:21171805
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
A diffusion-diffusion model for percutaneous drug absorption.
Kubota, K; Ishizaki, T
1986-08-01
Several theories describing percutaneous drug absorption have been proposed, incorporating the mathematical solutions of differential equations describing percutaneous drug absorption processes where the vehicle and skin are regarded as simple diffusion membranes. By a solution derived from Laplace transforms, the mean residence time MRT and the variance of the residence time VRT in the vehicle are expressed as simple elementary functions of the following five pharmacokinetic parameters characterizing the percutaneous drug absorption: kd, which is defined as the normalized diffusion coefficient of the skin, kc, which is defined as the normalized skin-capillary boundary clearance, the apparent length of diffusion of the skin 1d, the effective length of the vehicle lv, and the diffusion coefficient of the vehicle Dv. All five parameters can be obtained by the methods proposed here. Results of numerical computation indicate that: concentration-distance curves in the vehicle and skin approximate two curves which are simply expressed using trigonometric functions when sufficient time elapses after an ointment application; the most suitable condition for the assumption that the concentration of a drug in the uppermost epidermis can be considered unchanged is the case where the partition coefficient between vehicle and skin is small, and the constancy of drug concentration is even more valid when the effective length of the vehicle is large; and the amount of a drug in the vehicle or skin and the flow rate of the drug from vehicle into skin or from skin into blood becomes linear on a semilogarithmic scale, and the slopes of those lines are small when Dv is small, when the partition coefficient between vehicle and skin is small, when lv is large, or when kc is small. A simple simulation method is also proposed using a biexponential for the concentration-time curve for the skin near the skin-capillary boundary, that is, the flow rate-time curve for drug passing from skin
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.
Does length or neighborhood size cause the word length effect?
Jalbert, Annie; Neath, Ian; Surprenant, Aimée M
2011-10-01
Jalbert, Neath, Bireta, and Surprenant (2011) suggested that past demonstrations of the word length effect, the finding that words with fewer syllables are recalled better than words with more syllables, included a confound: The short words had more orthographic neighbors than the long words. The experiments reported here test two predictions that would follow if neighborhood size is a more important factor than word length. In Experiment 1, we found that concurrent articulation removed the effect of neighborhood size, just as it removes the effect of word length. Experiment 2 demonstrated that this pattern is also found with nonwords. For Experiment 3, we factorially manipulated length and neighborhood size, and found only effects of the latter. These results are problematic for any theory of memory that includes decay offset by rehearsal, but they are consistent with accounts that include a redintegrative stage that is susceptible to disruption by noise. The results also confirm the importance of lexical and linguistic factors on memory tasks thought to tap short-term memory. PMID:21461875
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…
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.
Effective Cavity Length of Gyrotrons
NASA Astrophysics Data System (ADS)
Thumm, Manfred
2014-12-01
Megawatt-class gyrotron oscillators for electron cyclotron heating and non-inductive current drive (ECH&CD) in magnetically confined thermonuclear fusion plasmas have relatively low cavity quality factors in the range of 1000 to 2000. The effective length of their cavities cannot be simply deduced from the cavity electric field profile, since this has by far not a Gaussian shape. The present paper presents a novel method to estimate the effective length of a gyrotron cavity just from the eigenvalue of the operating TEm,n mode, the cavity radius and the exact oscillation frequency which may be numerically computed or precisely measured. This effective cavity length then can be taken to calculate the Fresnel parameter in order to confirm that the cavity is not too short so that the transverse structure of any mode in the cavity is the same as that of the corresponding mode in a long circular waveguide with the same diameter.
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.
Graduated compression stockings: knee length or thigh length.
Benkö, T; Cooke, E A; McNally, M A; Mollan, R A
2001-02-01
The mechanisms by which graduated compression stockings prevent deep venous thrombosis are not completely understood. In the current study the physiologic effect of low-pressure graduated compression stockings on the venous blood flow in the lower limb and the practical aspects of their use were assessed. Patients having elective orthopaedic surgery at a university orthopaedic department were randomized into five groups to wear two different types of graduated compression stockings in thigh and knee lengths. Patients in the fifth control group did not wear graduated compression stockings. Venous occlusion strain gauge plethysmography was used to measure venous flow. After 20-minutes bed rest there was a highly significant increase in venous capacitance and venous outflow in patients in all of the four groups wearing stockings. There was no difference in the mean of the percentage change of venous capacitance in patients in the four groups wearing stockings. The knee length Brevet stockings were less efficient in increasing the venous outflow. There was no significant change in the venous capacitance and venous outflow in patients in the control group. Visual assessment of the fit and use of stockings was done, and patients' subjective opinion of comfort was sought. The knee length graduated compression stockings wrinkled significantly less, and significantly fewer patients reported discomfort with them. All stockings were reported to be difficult to use. Thigh and knee length stockings have a significant effect on decreasing venous stasis of the lower limb. Knee length graduated compression stockings are similarly efficient in decreasing venous stasis, but they are more comfortable to wear, and they wrinkle less. PMID:11210954
Coherence length of neutron superfluids
De Blasio, F.V.; Hjorth-Jensen, M.; Lazzari, G.; Baldo, M.; Schulze, H.
1997-10-01
The coherence length of superfluid neutron matter is calculated from the microscopic BCS wave function of a Cooper pair in momentum space making use of recent nucleon-nucleon potential models and including polarization (RPA) effects. We find as our main result that the coherence length is proportional to the Fermi momentum to pairing gap ratio, in good agreement with simple estimates used in the literature, with a nearly interaction independent constant of proportionality. Our calculations can be applied to the problem of inhomogeneous superfluidity of hadronic matter in the crust of a neutron star. {copyright} {ital 1997} {ital The American Physical Society}
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.
Fluid diffusion in porous silica
NASA Astrophysics Data System (ADS)
McCann, Lowell I.
Fluid motion in porous media has received a great deal of theoretical and experimental attention due to its importance in systems as diverse as ground water aquifers, catalytic processes, and size separation schemes. Often, the motion of interest is the random thermal motion of molecules in a fluid undergoing no net flow. This diffusive motion is particularly important when the size of the pores is nearly the same as the size of the molecules. In this study, fluid diffusion is measured in several varieties of porous silica whose pore structure is determined by the process by which it is made. The samples in this study have porosities (φ, the ratio of the pore volume to the total sample volume) that vary from 0.3 to 0.75 and average pore radii that range from approximately 15 to 120 A. Determining the effect of the pore structure on the diffusion of a liquid in a porous material is complicated by the chemical interactions between the diffusing molecules and the pore surface. In this study, ions in a hydrophilic fluid are used to block the adsorption of the diffusing dye molecules to the hydroxyl groups covering the silica surface. This technique is unlike typical surface treatments of silica in that it does not permanently alter the pore geometry. In this work, fluid diffusion is measured with a transient holographic grating technique where interfering laser beams create a periodic refractive index modulation in the fluid. The diffraction of a third laser off this grating is monitored to determine how quickly the grating relaxes, thereby determining the diffusion coefficient of the molecules in the fluid. Varying the grating periodicity controls the length scale of the diffusion measurement from 1.2 to 100 μm which is much larger than the average pore sizes of the samples. Therefore, over these large scales, we measure 'normal' diffusion, where the mean squared displacement of a diffusing particle varies linearly with time. In one particular type of porous silica
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.
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.
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.
Leonenko, Nikolai N.; Meerschaert, Mark M.
2013-01-01
Pearson diffusions are governed by diffusion equations with polynomial coefficients. Fractional Pearson diffusions are governed by the corresponding time-fractional diffusion equation. They are useful for modeling sub-diffusive phenomena, caused by particle sticking and trapping. This paper provides explicit strong solutions for fractional Pearson diffusions, using spectral methods. It also presents stochastic solutions, using a non-Markovian inverse stable time change. PMID:23626377
The correlation length for interplanetary magnetic field fluctuations
NASA Technical Reports Server (NTRS)
Fisk, L. A.; Sari, J. W.
1972-01-01
It is argued that it is appropriate to consider two correlation lengths for interplanetary magnetic field fluctuations. For particles with gyro-radii large enough to encounter and be scattered by large-scale tangential discontinuities in the field (particles with energies greater than or approximately equal to several GeV/nucleon) the appropriate correlation length is simply the mean spatial separation between the discontinuities, L approximately 2 x 10 to the 11th power. Particles with gyro-radii much less than this mean separation (energies less than or approximately equal to 100 MeV/nucleon) appear to be unaffected by the discontinuities and respond only to smaller-scale field fluctuations. For these particles the correlation length is shown to be L approximately 10 to the 10th power cm. With this system of two correlation lengths the cosmic-ray diffusion tensor may be altered from what was predicted by, for example, Jokipii and Coleman, and the objections raised recently by Klimas and Sandri to the diffusion analysis of Jokipii may apply only at relatively low energies (approximately 50 MeV/nucleon).
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.
Critical waves and the length problem of biology.
Laughlin, Robert B
2015-08-18
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
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.
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
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.
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.
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.
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.
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.
Critical Length Limiting Superlow Friction
NASA Astrophysics Data System (ADS)
Ma, Ming; Benassi, Andrea; Vanossi, Andrea; Urbakh, Michael
2015-02-01
Since the demonstration of superlow friction (superlubricity) in graphite at nanoscale, one of the main challenges in the field of nano- and micromechanics was to scale this phenomenon up. A key question to be addressed is to what extent superlubricity could persist, and what mechanisms could lead to its failure. Here, using an edge-driven Frenkel-Kontorova model, we establish a connection between the critical length above which superlubricity disappears and both intrinsic material properties and experimental parameters. A striking boost in dissipated energy with chain length emerges abruptly due to a high-friction stick-slip mechanism caused by deformation of the slider leading to a local commensuration with the substrate lattice. We derived a parameter-free analytical model for the critical length that is in excellent agreement with our numerical simulations. Our results provide a new perspective on friction and nanomanipulation and can serve as a theoretical basis for designing nanodevices with superlow friction, such as carbon nanotubes.
Double-diffusive layer formation
NASA Astrophysics Data System (ADS)
Zaussinger, Florian; Kupka, Friedrich; Hücker, Sebastian; Egbers, Christoph
2015-04-01
Double-diffusive convection plays an important role in geo- and astrophysical applications. The special case, where a destabilising temperature gradient counteracts a stabilising solute gradient leads to layering phenomena under certain conditions. Convectively mixed layers sandwiched in diffusive interfaces form a so-called stack. Well-known double-diffusive systems are observed in rift lakes in Africa and even from the coffee drink Latte Macciatto. Stacks of layers are also predicted to occur inside massive stars and inside giant planets. Their dynamics depend on the thermal, the solute and the momentum diffusivities, as well on the ratio of the gradients of the opposing stratifications. Since the layering process cannot be derived from linear stability analysis, the full nonlinear set of equations has to be investigated. Numerical simulations have become feasible for this task, despite the physical processes operate on a vast range of length and time scales, which is challenging for numerical hydrodynamical modelling. The oceanographically relevant case of fresh and salty water is investigated here in further details. The heat and mass transfer is compared with theoretical results and experimental measurements. Additionally, the initial dynamic of layering, the transient behaviour of a stack and the long time evolution are presented using the example of Lake Kivu and the interior of a giant planet.
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.
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.
Telomere length and cardiovascular aging.
Fyhrquist, Frej; Saijonmaa, Outi
2012-06-01
Telomeres are located at the end of chromosomes. They are composed of repetitive TTAGGG tandem repeats and associated proteins of crucial importance for telomere function. Telomeric DNA is shortened by each cell division until a critical length is achieved and the cell enters senescence and eventually apoptosis. Telomeres are therefore considered a 'biological clock' of the cell. Telomerase adds nucleotides to telomeric DNA thereby contributing to telomere maintenance, genomic stability, functions, and proliferative capacity of the cell. In certain rare forms of progeria, point mutations within the telomere lead to accelerated telomere attrition and premature aging. Endogenous factors causing telomere shortening are aging, inflammation, and oxidative stress. Leukocyte telomere length (LTL) shortening is inhibited by estrogen and endogenous antioxidants. Accelerated telomere attrition is associated with cardiovascular risk factors such as age, gender, obesity, smoking, sedentary life-style, excess alcohol intake, and even mental stress. Cardiovascular (CV) diseases and CV aging are usually but not invariably associated with shorter telomeres than in healthy subjects. LTL appears to be a biomarker of CV aging, reflecting the cumulative burden of endogenous and exogenous factors negatively affecting LTL. Whether accelerated telomere shortening is cause or consequence of CV aging and disease is not clear. PMID:22713142
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.
Crossover from Ballistic to Diffusive Thermal Transport in Carbon Nanotubes
NASA Astrophysics Data System (ADS)
Yamamoto, Takahiro; Konabe, Satoru; Shiomi, Junichiro; Maruyama, Shigeo
2009-09-01
We present a theoretical scheme that seamlessly handles the crossover from fully ballistic to diffusive thermal transport regimes and apply it to carbon nanotubes. At room temperature, micrometer-length nanotubes belong to the intermediate regime in which ballistic and diffusive phonons coexist. According to our scheme, the thermal conductance of these nanotubes exhibit anomalous nonlinear dependence of tube length due to this coexistence. This result is in excellent agreement with molecular-dynamics simulation results showing the nonlinear thermal conductance. Additionally, we clarify the mechanism of crossover in terms of the length-dependent characteristic frequency.
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.
Ligand chain length conveys thermochromism.
Ganguly, Mainak; Panigrahi, Sudipa; Chandrakumar, K R S; Sasmal, Anup Kumar; Pal, Anjali; Pal, Tarasankar
2014-08-14
Thermochromic properties of a series of non-ionic copper compounds have been reported. Herein, we demonstrate that Cu(II) ion with straight-chain primary amine (A) and alpha-linolenic (fatty acid, AL) co-jointly exhibit thermochromic properties. In the current case, we determined that thermochromism becomes ligand chain length-dependent and at least one of the ligands (A or AL) must be long chain. Thermochromism is attributed to a balanced competition between the fatty acids and amines for the copper(II) centre. The structure-property relationship of the non-ionic copper compounds Cu(AL)2(A)2 has been substantiated by various physical measurements along with detailed theoretical studies based on time-dependent density functional theory. It is presumed from our results that the compound would be a useful material for temperature-sensor applications. PMID:24943491
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.
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.
Enhanced Li adsorption and diffusion in single-walled silicon nanotubes: an ab initio study.
Kulish, Vadym V; Ng, Man-Fai; Malyi, Oleksandr I; Wu, Ping; Chen, Zhong
2013-04-15
We report a first-principles investigation of Li adsorption and diffusion in single-walled Si nanotubes (SWSiNTs) of interest to Li-ion battery anodes. We calculate Li insertion characteristics in SWSiNTs and compare them with the respective ones in carbon nanotubes (CNTs) and other silicon nanostructures. From our calculations, SWSiNTs show higher reactivity toward the adsorption of Li adatoms than CNTs and Si nanoclusters. Considering the importance of Li kinetics, we demonstrate that the interior of SWSiNTs may serve as a fast Li diffusion channel. The important advantage of SWSiNTs over their carbon analogues is a sevenfold reduction in the energy barrier for the penetration of the Li atoms into the nanotube interior through the sidewalls. This prepossesses easier Li diffusion inside the tube and subsequent utilization of the interior sites, which enhances Li storage capacity of the system. The improvements in both Li uptake and Li mobility over their analogues support the great potential of SWSiNTs as Li-ion battery anodes. PMID:23564742
Manuel, L.
1996-01-12
The transport of atoms or molecules over surfaces has been an important area of study for several decades now, with its progress generally limited by the available experimental techniques to characterize the phenomena. A number of methods have been developed over the years to measure surface diffusion yet only very few systems have been characterized to this day mainly due to the physical limitations inherent in these available methods. Even the STM with its astonishing atomically-resolved images of the surface has been limited in terms of its capability to determine mass transport properties. This is because the STM is inherently a ``slow`` instrument, i.e., a finite time is needed for signal averaging in order to produce the image. A need exists for additional surface diffusion measurement techniques, ideally ones which are able to study varied systems and measure a wide range of diffusion rates. The STM (especially because of its highly local nature) presents itself as a promising tool to conduct dynamical studies if its poor time resolution during ``normal operation`` can somehow be overcome. The purpose of this dissertation is to introduce a new technique of using the STM to measure adatom mobility on surfaces -- one with a capacity to achieve excellent time resolution.
NASA Astrophysics Data System (ADS)
Hui, Zi; Tang, Xiaoyue; Li, Wei; Greneche, Jean-Marc; Wang, Qiuping A.
2015-04-01
In this work, we study the problem of diffusing a product (idea, opinion, disease etc.) among agents on spatial network. The network is constructed by random addition of nodes on the planar. The probability for a previous node to be connected to the new one is inversely proportional to their spatial distance to the power of α. The diffusion rate between two connected nodes is inversely proportional to their spatial distance to the power of β as well. Inspired from the Fick's first law, we introduce the diffusion coefficient to measure the diffusion ability of the spatial network. Using both theoretical analysis and Monte Carlo simulation, we get the fact that the diffusion coefficient always decreases with the increasing of parameter α and β, and the diffusion sub-coefficient follows the power-law of the spatial distance with exponent equals to -α-β+2. Since both short-range diffusion and long-range diffusion exist, we use anomalous diffusion method in diffusion process. We get the fact that the slope index δ in anomalous diffusion is always smaller that 1. The diffusion process in our model is sub-diffusion.
UPDATING APPLIED DIFFUSION MODELS
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 Socie...
Olveczky, B P; Verkman, A S
1998-05-01
Molecular transport in the aqueous lumen of organelles involves diffusion in a confined compartment with complex geometry. Monte Carlo simulations of particle diffusion in three dimensions were carried out to evaluate the influence of organelle structure on diffusive transport and to relate experimental photobleaching data to intrinsic diffusion coefficients. Two organelle structures were modeled: a mitochondria-like long closed cylinder containing fixed luminal obstructions of variable number and size, and an endoplasmic reticulum-like network of interconnected cylinders of variable diameter and density. Trajectories were computed in each simulation for >10(5) particles, generally for >10(5) time steps. Computed time-dependent concentration profiles agreed quantitatively with analytical solutions of the diffusion equation for simple geometries. For mitochondria-like cylinders, significant slowing of diffusion required large or wide single obstacles, or multiple obstacles. In simulated spot photobleaching experiments, a approximately 25% decrease in apparent diffusive transport rate (defined by the time to 75% fluorescence recovery) was found for a single thin transverse obstacle occluding 93% of lumen area, a single 53%-occluding obstacle of width 16 lattice points (8% of cylinder length), 10 equally spaced 53% obstacles alternately occluding opposite halves of the cylinder lumen, or particle binding to walls (with mean residence time = 10 time steps). Recovery curve shape with obstacles showed long tails indicating anomalous diffusion. Simulations also demonstrated the utility of measurement of fluorescence depletion at a spot distant from the bleach zone. For a reticulum-like network, particle diffusive transport was mildly reduced from that in unobstructed three-dimensional space. In simulated photobleaching experiments, apparent diffusive transport was decreased by 39-60% in reticular structures in which 90-97% of space was occluded. These computations provide
Role of impurities on diffusion-induced defective states
NASA Astrophysics Data System (ADS)
Castaldini, A.; Cavallini, A.; Fraboni, B.; Giannotte, E.
1992-12-01
The defective states induced in floating zone Si by the heavy diffusion of dopants have been investigated by means of the electron beam-induced current method. By measuring the minority carrier diffusion length with the first order moment method, and by directly imaging the defects, their electrical activity has been analyzed. The diffused samples have subsequently been dry oxidized, so that the evolution of the electrical and morphological properties of the induced defects could be followed. Two sets of samples, one diffused with B and the other with B and Al, have been investigated in order to study the effects of the presence of Al. Significant improvements in the diffusion length have been observed in samples where Al had been codiffused, thus providing indication for the role played by Al on the electrical activity of bulk defective states.
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.
Phase-Length Optical Phase-Locked-Loop Sensor (PLOPS)
NASA Technical Reports Server (NTRS)
Heyman, Joseph S.; Rogawski, Robert S.
1988-01-01
PLOPS system designed to provide high-resolution measurement of change in optical length from optical-system source to any optical reflector, including diffuse reflector. Serves as adjustable optical ruler, providing high resolution in measurements of small and large changes in distance to target. Use is broad and includes most measurement situations requiring information on length, vibration, and their derivatives. Applications include building dynamics, remote sensing of vibrations in such systems as turbine-based machinery, monitoring of structural dynamics, noncontacting sensing of surface contours, measurement of large strains as in earthquake monitoring, measurement of atmospheric dynamics and turbulence, high-resolution sensing of humidity, detection of surface acoustic waves by optical microscopy, and related areas.
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)
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…
Diffusion of uranium hexafluoride
NASA Astrophysics Data System (ADS)
Winkelmann, J.
This document is part of Subvolume A `Gases in Gases, Liquids and their Mixtures' of Volume 15 `Diffusion in Gases, Liquids and Electrolytes' of Landolt-Börnstein Group IV `Physical Chemistry'. It is part of the chapter of the chapter `Diffusion in Pure Gases' and contains data on diffusion of uranium hexafluoride
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…
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.
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.
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.
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.
Minimal length uncertainty and accelerating universe
NASA Astrophysics Data System (ADS)
Farmany, A.; Mortazavi, S. S.
2016-06-01
In this paper, minimal length uncertainty is used as a constraint to solve the Friedman equation. It is shown that, based on the minimal length uncertainty principle, the Hubble scale is decreasing which corresponds to an accelerating universe.
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, 2010 CFR
2010-07-01
... 28 Judicial Administration 2 2010-07-01 2010-07-01 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, 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, 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, 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...
Non-linear diffusion paths in two-phase ternary diffusion couples
NASA Astrophysics Data System (ADS)
Yang, Hongwei
2005-11-01
Prediction of diffusion paths facilitates the understanding of interdiffusion microstructure development at the vicinity of a common interface between two alloys. Understanding the influence of interdiffusion on microstructure is critically important to the design of many advanced materials systems such as high temperature coatings. The current study using DICTRA finite difference software predicts non-linear features formed on the diffusion path as the initial interface is approached. The non-linear diffusion path deviates from the linear zigzag shape predicted by an error function model for multiphase diffusion couples. The deviations appear as "horns" that protrude from the linear paths. The horns were found to be of two types. When the two outer legs of the diffusion path bend in the same direction, a "single-horn" is formed. When they bend in opposite directions a "double-horn" is formed. The formation of horns is attributed to the concentration dependence of the diffusivity. It results in a shift on the maximum of the flux profile from the initial interface, which accordingly leads to a rapid rise or decrease of the precipitate fraction as the interface is approached. It was found that the horn length is proportional to the composition vector component along the major eigenvector of the effective diffusivity matrix. Applying these results to a study on Ni-Cr-Al diffusion couples prepared from gamma + beta alloys, it also was found that the formation of single-phase beta layers could be attributed to the horns pointing away from each other, in which case the diffusion path could intersect the single phase beta region of the phase diagram. Comparison between EPMA data and DICTRA simulation shows that existence of second phase could introduce microstructure effect on diffusion. This microstructure effect may be taken into account for promoting or blocking the diffusion.
Combined measurements of modulus and length and their correlation for different amorphous alloys
Porscha, B.; Neuhaeuser, H.
1995-03-15
Combined measurements of length and modulus change on the same specimen of Ni{sub 78}Si{sub 8}B{sub 14}, Cu{sub 64}Ti{sub 36} and Co{sub 66}Fe{sub 4}(MoSiB){sub 30} are presented. These properties are sensitive to different aspects of structural changes during relaxation in the amorphous state. The change of length is mainly sensitive to the topological long range relaxation. The change of the eigenfrequency is mainly sensitive to atomic rearrangements changing the chemical short range order. The results of the correlation between the effect of relaxation of frequency versus that of length can be described as follows: the observed structural relaxation in the amorphous states of each material can be divided up into two regimes. The first regime (I) with a prevailing change of eigenfrequency is attributed to short range rearrangements of the chemically different atomic species in the material; the second regime (II) with a larger amount of length change is interpreted as a long range topological relaxation with enhanced loss of free volume. This interpretation is supported by a comparison of the diffusion coefficients at the characteristic transition temperature {Tc} between the regimes I and II. It shows that the average diffusion path lengths of the possible diffusors below the characteristic temperature are in the order of 2 to 5 next neighbor distances, i.e., diffusion is only possible in a short range changing the species of neighboring atoms. Above {Tc}, the average diffusion path lengths are in the order of 5 to 50 next neighbor distances suggesting long range relaxation rearrangements by a diffusion process preferentially connected with the annihilation of free volume.
Diffusion of Particles in Polymer Solutions
NASA Astrophysics Data System (ADS)
Cai, Liheng; Rubinstein, Michael
2010-03-01
We use scaling theory to derive the time dependence of the mean-square-displacement <δr^2> of a probe particle of size d in an entangled semidilute polymer solution. Particles with size smaller than solution correlation length ξ undergo ordinary diffusion (<δr^2 (t)>˜t) with diffusion coefficient determined by the solvent viscosity. The motion of particles with intermediate sizes (ξ
'LTE-diffusion approximation' for arc calculations
NASA Astrophysics Data System (ADS)
Lowke, J. J.; Tanaka, M.
2006-08-01
This paper proposes the use of the 'LTE-diffusion approximation' for predicting the properties of electric arcs. Under this approximation, local thermodynamic equilibrium (LTE) is assumed, with a particular mesh size near the electrodes chosen to be equal to the 'diffusion length', based on De/W, where De is the electron diffusion coefficient and W is the electron drift velocity. This approximation overcomes the problem that the equilibrium electrical conductivity in the arc near the electrodes is almost zero, which makes accurate calculations using LTE impossible in the limit of small mesh size, as then voltages would tend towards infinity. Use of the LTE-diffusion approximation for a 200 A arc with a thermionic cathode gives predictions of total arc voltage, electrode temperatures, arc temperatures and radial profiles of heat flux density and current density at the anode that are in approximate agreement with more accurate calculations which include an account of the diffusion of electric charges to the electrodes, and also with experimental results. Calculations, which include diffusion of charges, agree with experimental results of current and heat flux density as a function of radius if the Milne boundary condition is used at the anode surface rather than imposing zero charge density at the anode.
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
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.
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.
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
Numerical study of a cylinder model of the diffusion MRI signal for neuronal dendrite trees
NASA Astrophysics Data System (ADS)
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 DL in the direction of neurites. When the dendrite branches are short compared to the diffusion length, DL depends significantly on the ratio between the average branch length and the diffusion length. In turn, DL 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.
NASA Astrophysics Data System (ADS)
Havlin, Shlomo; Ben-Avraham, Daniel
2002-01-01
Diffusion in disordered systems does not follow the classical laws which describe transport in ordered crystalline media, and this leads to many anomalous physical properties. Since the application of percolation theory, the main advances in the understanding of these processes have come from fractal theory. Scaling theories and numerical simulations are important tools to describe diffusion processes (random walks: the 'ant in the labyrinth') on percolation systems and fractals. Different types of disordered systems exhibiting anomalous diffusion are presented (the incipient infinite percolation cluster, diffusion-limited aggregation clusters, lattice animals, and random combs), and scaling theories as well as numerical simulations of greater sophistication are described. Also, diffusion in the presence of singular distributions of transition rates is discussed and related to anomalous diffusion on disordered structures.
Hereditary Diffuse Infiltrating Retinoblastoma.
Schedler, Katharina J E; Traine, Peter G; Lohmann, Dietmar R; Haritoglou, Christos; Metz, Klaus A; Rodrigues, Eduardo B
2016-03-01
Retinoblastoma is one of the most common childhood cancers. The diffuse infiltrating retinoblastoma is a rare subtype of this neoplasm. The majority of cases of diffuse infiltrating retinoblastoma are unilateral and occur sporadically. Herein we report on a family with three children affected by retinoblastoma, among them one girl with diffuse infiltrating retinoblastoma. This girl was diagnosed at the age of 8 years with a unilateral diffuse infiltrating retinoblastoma. By contrast, the two brothers became clinically apparent in the first 2 years of life with bilateral retinoblastoma. The parents were clinically unremarkable. Genetic analysis of RB1 gene was performed. The girl with diffuse infiltrating RB was found to be heterozygous for an oncogenic mutation in the RB1 gene that was also carried by both brothers and the father of the family. These results show that diffuse infiltrating retinoblastoma can develop on the background of a hereditary predisposition to retinoblastoma. PMID:24892564
Multinomial diffusion equation
NASA Astrophysics Data System (ADS)
Balter, Ariel; Tartakovsky, Alexandre M.
2011-06-01
We describe a new, microscopic model for diffusion that captures diffusion induced fluctuations at scales where the concept of concentration gives way to discrete particles. We show that in the limit as the number of particles N→∞, our model is equivalent to the classical stochastic diffusion equation (SDE). We test our new model and the SDE against Langevin dynamics in numerical simulations, and show that our model successfully reproduces the correct ensemble statistics, while the classical model fails.
Multinomial diffusion equation
Balter, Ariel I.; Tartakovsky, Alexandre M.
2011-06-24
We describe a new, microscopic model for diffusion that captures diffusion induced uctuations at scales where the concept of concentration gives way to discrete par- ticles. We show that in the limit as the number of particles N ! 1, our model is equivalent to the classical stochastic diffusion equation (SDE). We test our new model and the SDE against Langevin dynamics in numerical simulations, and show that our model successfully reproduces the correct ensemble statistics, while the classical model fails.
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.
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.
Signatures of Quantum-Tunneling Diffusion of Hydrogen Atoms on Water Ice at 10 K
NASA Astrophysics Data System (ADS)
Kuwahata, K.; Hama, T.; Kouchi, A.; Watanabe, N.
2015-09-01
Reported here is the first observation of the tunneling surface diffusion of a hydrogen (H) atom on water ice. Photostimulated desorption and resonance-enhanced multiphoton ionization methods were used to determine the diffusion rates at 10 K on amorphous solid water and polycrystalline ice. H-atom diffusion on polycrystalline ice was 2 orders of magnitude faster than that of deuterium atoms, indicating the occurrence of tunneling diffusion. Whether diffusion is by tunneling or thermal hopping also depends on the diffusion length of the atoms and the morphology of the surface. Our findings contribute to a better understanding of elementary physicochemical processes of hydrogen on cosmic ice dust.
Signatures of Quantum-Tunneling Diffusion of Hydrogen Atoms on Water Ice at 10 K.
Kuwahata, K; Hama, T; Kouchi, A; Watanabe, N
2015-09-25
Reported here is the first observation of the tunneling surface diffusion of a hydrogen (H) atom on water ice. Photostimulated desorption and resonance-enhanced multiphoton ionization methods were used to determine the diffusion rates at 10 K on amorphous solid water and polycrystalline ice. H-atom diffusion on polycrystalline ice was 2 orders of magnitude faster than that of deuterium atoms, indicating the occurrence of tunneling diffusion. Whether diffusion is by tunneling or thermal hopping also depends on the diffusion length of the atoms and the morphology of the surface. Our findings contribute to a better understanding of elementary physicochemical processes of hydrogen on cosmic ice dust. PMID:26451552
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.
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
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.
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).
Curved and diffuse interface effects on the nuclear surface tension
NASA Astrophysics Data System (ADS)
Kolomietz, V. M.; Lukyanov, S. V.; Sanzhur, A. I.
2012-08-01
We redefine the surface tension coefficient for a nuclear Fermi-liquid drop with a finite diffuse layer. Following the Gibbs-Tolman concept, we introduce the equimolar radius Re of the droplet surface at which the surface tension is applied and the radius of tension surface Rs which provides the minimum of the surface tension coefficient σ. This procedure allows us to derive both the surface tension and the corresponding curvature correction (Tolman length) correctly for the curved and diffuse interface. We point out that the curvature correction depends significantly on the finite diffuse interface. We show that Tolman's length ξ is negative for a nuclear Fermi-liquid drop. The value of the Tolman length is only slightly sensitive to the Skyrme force parametrization and equals ξ=-0.36 fm.
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.
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.
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.
Dither Cavity Length Controller with Iodine Locking
NASA Astrophysics Data System (ADS)
Lawson, Marty; Eloranta, Ed
2016-06-01
A cavity length controller for a seeded Q-switched frequency doubled Nd:YAG laser is constructed. The cavity length controller uses a piezo-mirror dither voltage to find the optimum length for the seeded cavity. The piezo-mirror dither also dithers the optical frequency of the output pulse. [1]. This dither in optical frequency is then used to lock to an Iodine absorption line.
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.
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)
Required length of guardrails before hazards.
Tomasch, E; Sinz, W; Hoschopf, H; Gobald, M; Steffan, H; Nadler, B; Nadler, F; Strnad, B; Schneider, F
2011-11-01
One way to protect against impacts during run-off-road accidents with infrastructure is the use of guardrails. However, real-world accidents indicate that vehicles can leave the road and end up behind the guardrail. These vehicles have no possibility of returning to the lane. Vehicles often end up behind the guardrail because the length of the guardrails installed before hazards is too short; this can lead to a collision with a shielded hazard. To identify the basic speed for determining the necessary length of guardrails, we analyzed the speed at which vehicles leave the roadway from the ZEDATU (Zentrale Datenbank Tödlicher Unfälle) real-world accidents database. The required length of guardrail was considered the length that reduces vehicle speed at a maximum theoretically possible deceleration of 0.3g behind the barrier based on real-world road departure speed. To determine the desired length of a guardrail ahead of a hazard, we developed a relationship between guardrail length and the speed at which vehicles depart the roadway. If the initial elements are flared away from the carriageway, the required length will be reduced by up to an additional 30% The ZEDATU database analysis showed that extending the current length of guardrails to the evaluated required length would reduce the number of fatalities among occupants of vehicles striking bridge abutments by approximately eight percent. PMID:21819841
Invariant length of a cosmic string
NASA Astrophysics Data System (ADS)
Anderson, Malcolm R.
1990-06-01
The world sheet of a cosmic string is characterized by a function l, invariant under both coordinate and gauge transformations, which can be interpreted as the ``invariant length'' of the string. In flat space, l reduces to the invariant length of Vachaspati and Vilenkin, and gives an upper bound for the actual length of the string, and a lower bound for its energy, as measured by any inertial observer. In curved spacetime, time variations in the invariant length divide naturally into two parts: one due to the tidal tensor at points exterior to the world sheet and one due to the tidal tensor at points on the world sheet itself.
Exact curvilinear diffusion coefficients in the repton model
NASA Astrophysics Data System (ADS)
Buhot, A.
2005-10-01
The Rubinstein-Duke or repton model is one of the simplest lattice model of reptation for the diffusion of a polymer in a gel or a melt. Recently, a slightly modified model with hardcore interactions between the reptons has been introduced. The curvilinear diffusion coefficients of both models are exactly determined for all chain lengths. The case of periodic boundary conditions is also considered.
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.
NASA Technical Reports Server (NTRS)
Earabino, Gerard J.; Heyl, G. Christopher; Percorini, Thomas J.
1987-01-01
New ideas encounter obstacles on way to becoming products. Report examines process by which new ideas become products, processes, or accepted standards. Sequence of events called "the diffusion of innovation." Focuses on development of material processing in low gravity as case study in diffusion of innovation.
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…
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.
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.
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 on strained surfaces
NASA Astrophysics Data System (ADS)
Schroeder, M.; Wolf, D. E.
1997-03-01
The change of diffusion kinetics when elastic fields are present is discussed for diffusion on (001) surfaces of simple cubic, fcc and bcc lattices. All particles interact pairwise with a Lennard-Jones potential. The simple cubic lattice was stabilized by an anisotropic prefactor. It is found that generically compressive strain enhances diffusion whereas tensile strain increases the activation barrier. An approximately linear dependence of the barrier in a wide range of misfits is found. In heteroepitaxy, diffusion on top of large clusters is inhomogeneous and anisotropic. The kinetics close to edges and centers of islands are remarkably different. In many cases changes of binding energies are small compared to those of saddle point energies. Thermodynamic arguments (minimization of free energy) are not appropriate to describe diffusion on strained surfaces in these cases.
LENGTH SCALE OF TURBULENCE ABOVE ROUGH SURFACES
Results of analyses of data for two urban sites and a rural site suggest that the mixing length can be represented by the integral length scale of the turbulence derived from vertical velocity spectra. The result is apparently universal and permits the shear production of turbule...
The chain-length dependence test.
Stone, Matthew T; Heemstra, Jennifer M; Moore, Jeffrey S
2006-01-01
Trends obtained from systematic studies based on chain-length variation have provided valuable insight and understanding into the behavior of m-phenylene ethynylene foldamers. The generalization of this experimental approach, the chain-length dependence test, is useful for studying solution conformation, packing in the solid state, specific intrachain interactions, and the contributions of end groups to a particular property. PMID:16411735
Telomere length in early life predicts lifespan
Heidinger, Britt J.; Blount, Jonathan D.; Boner, Winnie; Griffiths, Kate; Metcalfe, Neil B.; Monaghan, Pat
2012-01-01
The attrition of telomeres, the ends of eukaryote chromosomes, is thought to play an important role in cell deterioration with advancing age. The observed variation in telomere length among individuals of the same age is therefore thought to be related to variation in potential longevity. Studies of this relationship are hampered by the time scale over which individuals need to be followed, particularly in long-lived species where lifespan variation is greatest. So far, data are based either on simple comparisons of telomere length among different age classes or on individuals whose telomere length is measured at most twice and whose subsequent survival is monitored for only a short proportion of the typical lifespan. Both approaches are subject to bias. Key studies, in which telomere length is tracked from early in life, and actual lifespan recorded, have been lacking. We measured telomere length in zebra finches (n = 99) from the nestling stage and at various points thereafter, and recorded their natural lifespan (which varied from less than 1 to almost 9 y). We found telomere length at 25 d to be a very strong predictor of realized lifespan (P < 0.001); those individuals living longest had relatively long telomeres at all points at which they were measured. Reproduction increased adult telomere loss, but this effect appeared transient and did not influence survival. Our results provide the strongest evidence available of the relationship between telomere length and lifespan and emphasize the importance of understanding factors that determine early life telomere length. PMID:22232671
Precise Measurement of Effective Focal Length
NASA Technical Reports Server (NTRS)
Wise, T. D.; Young, J. B.
1983-01-01
Computerized instrument measures effective focal lengths to 0.01 percent accuracy. Laser interferometers measure mirror angle and stage coordinate y in instrument for accurate measurment of focal properties of optical systems. Operates under computer control to measure effective focal length, focal surface shape, modulation transfer function, and astigmatism.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.
2006-05-01
Diffusion of thorium has been characterized in synthetic monazite under dry conditions. The synthetic monazites (either pure CePO4, NdPO4, or a mixed LREE phosphate containing Ce, Nd, and Sm) were grown via a Na2CO3-MoO3 flux method. The source of diffusant for the experiments were either synthesized ThSiO4 or CaTh(PO4)2 powders. Experiments were performed by placing source and monazite in Pt capsules and annealing capsules in 1 atm furnaces for times ranging from 10 days to a few hours, at temperatures from 1400 to 1550C. The Th distributions in the monazite were profiled by Rutherford Backscattering Spectrometry (RBS). The following Arrhenius relation was obtained for diffusion in monazite: DSm = 7.2x103 exp(-814 kJ mol-1/RT) m2sec-1 The diffusivity of Th was similar for monazites containing a single REE and the mixed LREE phosphates. Th diffusion was also similar for experiments run using the Th silicate and Ca-Th phosphate sources, suggesting that the substitutional mechanism for Th in monazite, i.e, Th+4 + Si+4 for REE+3 + P+5 with the ThSiO4 source, and Th+4 + Ca+2 for 2REE+3 with the CaTh(PO4)2 source, does not significantly affect Th diffusivities, and that Th is likely the rate-limiting species. Th diffusion in monazite is about 4 orders of magnitude slower than Pb diffusion (Cherniak et al., 2004). This contrasts with findings of Gardes et al. (2005) who determined that Pb, Th and REE diffusivities in monazite are similar. Th diffusion in zircon (Cherniak et al., 1997) is about an order of magnitude slower than in monazite, but with similar activation energy for diffusion. The smaller diffusivities in zircon may be a consequence of the larger disparity in size between Th and the Zr site in zircon as compared with Th and the REE site in monazite. Nonetheless, Th is essentially immobile in monazite with respect to exchange by volume diffusion under most geologic conditions; these findings may have implications for containment of high- level actinide
Tail paradox, partial identifiability, and influential priors in Bayesian branch length inference.
Rannala, Bruce; Zhu, Tianqi; Yang, Ziheng
2012-01-01
Recent studies have observed that Bayesian analyses of sequence data sets using the program MrBayes sometimes generate extremely large branch lengths, with posterior credibility intervals for the tree length (sum of branch lengths) excluding the maximum likelihood estimates. Suggested explanations for this phenomenon include the existence of multiple local peaks in the posterior, lack of convergence of the chain in the tail of the posterior, mixing problems, and misspecified priors on branch lengths. Here, we analyze the behavior of Bayesian Markov chain Monte Carlo algorithms when the chain is in the tail of the posterior distribution and note that all these phenomena can occur. In Bayesian phylogenetics, the likelihood function approaches a constant instead of zero when the branch lengths increase to infinity. The flat tail of the likelihood can cause poor mixing and undue influence of the prior. We suggest that the main cause of the extreme branch length estimates produced in many Bayesian analyses is the poor choice of a default prior on branch lengths in current Bayesian phylogenetic programs. The default prior in MrBayes assigns independent and identical distributions to branch lengths, imposing strong (and unreasonable) assumptions about the tree length. The problem is exacerbated by the strong correlation between the branch lengths and parameters in models of variable rates among sites or among site partitions. To resolve the problem, we suggest two multivariate priors for the branch lengths (called compound Dirichlet priors) that are fairly diffuse and demonstrate their utility in the special case of branch length estimation on a star phylogeny. Our analysis highlights the need for careful thought in the specification of high-dimensional priors in Bayesian analyses. PMID:21890479
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.
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.
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.
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.
Fully Modulated Turbulent Diffusion Flames in Microgravity*
NASA Astrophysics Data System (ADS)
Sangras, Ravikiran; Hermanson, James C.; Johari, Hamid; Stocker, Dennis P.; Hegde, Uday G.
2001-11-01
Fully modulated, turbulent diffusion flames are studied in microgravity in 2.2 s drop-tower tests with a co-flow combustor. The fuel consists of pure ethylene or a 50/50 mixture with nitrogen; the oxidizer is either normal air or up to 40% oxygen in nitrogen. A fast solenoid valve is used to fully modulate (completely shut off) the fuel flow. The injection times range from 5 to 400 ms with a duty-cycle of 0.1 - 0.5. The fuel nozzle is 2 mm in diameter with a jet Reynolds number of 5000. The shortest injection times yield compact puffs with a mean flame length as little as 20% of that of the steady-state flame. The reduction in flame length appears to be somewhat greater in microgravity than in normal gravity. As the injection time increases, elongated flames result with a mean flame length comparable to that of a steady flame. The injection time for which the steady-state flame length is approached is shorter for lower air/fuel ratios. For a given duty-cycle, the separation between puffs is greater in microgravity than in normal gravity. For compact puffs, increasing the duty-cycle appears to increase the flame length more in microgravity than in normal gravity. The microgravity flame puffs do not exhibit the vortex-ring-like structure seen in normal gravity.
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%).
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.
Spectral attenuation length of scintillating fibers
NASA Astrophysics Data System (ADS)
Drexlin, Guido; Eberhard, Veit; Hunkel, Dirk; Zeitnitz, B.
1995-02-01
A double spectrometer allows the precise measurement of the spectral attenuation length of scintillating fibers. Exciting the fibers with a N 2-laser at different points and measuring the wavelength dependent light intensity on both ends of the fiber simultaneously, enables a measurement of the attenuation length which is practically independent of systematic uncertainties. The experimental setup can additionally be used for the measurement of the relative light output. Six types of scintillating fibers from four manufactures (Bicron, Kuraray, Pol.Hi.Tech, and Plastifo) were tested. For different fibers the wavelength dependent attenuation lengths were measured from 0.3 m up to 20 m with an accuracy as good as 1%.
Regulation of Flagellar Length in Chlamydomonas
Wilson, Nedra F.; Iyer, Janaki Kannan; Buchheim, Julie A.; Meek, William
2008-01-01
Chlamydomonas reinhardtii has two apically localized flagella that are maintained at an equal and appropriate length. Assembly and maintenance of flagella requires a microtubule-based transport system known as intraflagellar transport (IFT). During IFT, proteins destined for incorporation into or removal from a flagellum are carried along doublet microtubules via IFT particles. Regulation of IFT activity therefore is pivotal in determining the length of a flagellum. Reviewed is our current understanding of the role of IFT and signal transduction pathways in the regulation of flagellar length. PMID:18692148
A Note on Solar Cycle Length Estimates
NASA Astrophysics Data System (ADS)
Vaquero, J. M.; García, J. A.; Gallego, M. C.
2006-05-01
Recently, new estimates of the solar cycle length (SCL) have been calculated using the Zurich Sunspot Number (R Z) and the Regression-Fourier-Calculus (RFC)-method, a mathematically rigorous method involving multiple regression, Fourier approximation, and analytical expressions for the first derivative. In this short contribution, we show estimates of the solar cycle length using the RFC-method and the Group Sunspot Number (R G) instead the R Z. Several authors have showed the advantages of R G for the analysis of sunspot activity before 1850. The use of R G solves some doubtful solar cycle length estimates obtained around 1800 using R Z.
Diffusion of sucrose, sodium, and water in ventricular myocardium
Suenson, M.; Richmond, D. R.; Bassingthwaighte, J. B.
2010-01-01
The cumulative fluxes of radioactive sucrose, sodium, and water across a sheet of cat right ventricle were studied simultaneously to obtain the apparent tissue diffusion coefficients for extravascular diffusion at 37°C. The sucrose data fitted the equations for diffusion in tortuous channels in a plane sheet with a tortuosity factor, λ, of 2.11 ± 0.11 (mean ± SE, n = 10). The fit of the earliest data before attainment of steady state was improved by assuming a Gaussian distribution of diffusion path lengths through the extracellular space, but λ was only changed by a few percent. The sucrose diffusion channel contained 0.27 ± 0.03 ml of total tissue water, which is more than measured by others but still less than the expected sucrose space. The steady-state data for sodium agreed with the model for extracellular diffusion using λ and the area available for diffusion for sucrose when sodium equilibration with a dead-end pore volume (presumed to be intracellular) was taken into account. The cumulative flux data for water were monotonic and lacked secondary inflections. Thus the apparent tissue diffusion coefficients for sucrose, sodium, and water were (in 10−6 cm2/s) 1.77 ± 0.23, 5.13 ± 0.68, and 7.39 ± 0.99, respectively, representing a reduction to 23% of the free diffusion coefficient for sucrose and sodium and 22% for water. PMID:4440753
Concerted diffusion of lipids in raft-like membranes.
Apajalahti, Touko; Niemelä, Perttu; Govindan, Praveen Nedumpully; Miettinen, Markus S; Salonen, Emppu; Marrink, Siewert-Jan; Vattulainen, Ilpo
2010-01-01
Currently, there is no comprehensive model for the dynamics of cellular membranes. The understanding of even the basic dynamic processes, such as lateral diffusion of lipids, is still quite limited. Recent studies of one-component membrane systems have shown that instead of single-particle motions, the lateral diffusion is driven by a more complex, concerted mechanism for lipid diffusion (E. Falck et al., J. Am. Chem. Soc., 2008, 130, 44-45), where a lipid and its neighbors move in unison in terms of loosely defined clusters. In this work, we extend the previous study by considering the concerted lipid diffusion phenomena in many-component raft-like membranes. This nature of diffusion phenomena emerge in all the cases we have considered, including both atom-scale simulations of lateral diffusion within rafts and coarse-grained MARTINI simulations of diffusion in membranes characterized by coexistence of raft and non-raft domains. The data allows us to identify characteristic time scales for the concerted lipid motions, which turn out to range from hundreds of nanoseconds to several microseconds. Further, we characterize typical length scales associated with the correlated lipid diffusion patterns and find them to be about 10 nm, or even larger if weak correlations are taken into account. Finally, the concerted nature of lipid motions is also found in dissipative particle dynamics simulations of lipid membranes, clarifying the role of hydrodynamics (local momentum conservation) in membrane diffusion phenomena. PMID:20158041
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.
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.
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.
Mastocytosis, diffuse cutaneous (image)
This is a picture of diffuse, cutaneous mastocytosis. Abnormal collections of cells in the skin (mast cells) produce this rash. Unlike bullous mastocytosis, rubbing will not lead to formation of blisters ( ...
Lung diffusion testing measures how well the lungs exchange gases. This is an important part of lung testing , because ... Gender Height Hemoglobin (the protein in red blood cells that carries oxygen) level
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
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.
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.
Diffusing wave spectroscopy in Maxwellian fluids.
Galvan-Miyoshi, J; Delgado, J; Castillo, R
2008-08-01
We present a critical assessment of the diffusing wave spectroscopy (DWS) technique for obtaining the characteristic lengths and for measuring the loss and storage moduli of a reasonable well-known wormlike micelle (WM) system. For this purpose, we tracked the Brownian motion of particles using DWS embedded in a Maxwellian fluid constituted by a wormlike micellar solution made of cetyltrimethylammonium bromide (CTAB), sodium salicylate (NaSal), and water. We found that the motion of particles was governed by the viscosity of the solvent at short times and by the stress relaxation mechanisms of the giant micelles at longer times. From the time evolution of the mean square displacement of particles, we could obtain for the WM solution the cage size where each particle is harmonically bound at short times, the long-time diffusion coefficient, and experimental values for the exponent that accounts for the broad spectrum of relaxation times at the plateau onset time found in the (deltar2(t)) vs. time curves. In addition, from the (deltar2(t)) vs. time curves, we obtained G'(omega) and G"(omega) for the WM solutions. All the DWS microreological information allowed us to estimate the characteristic lengths of the WM network. We compare our DWS microrheological results and characteristic lengths with those obtained with mechanical rheometers at different NaSal/CTAB concentration ratios and temperatures. PMID:19230210
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.
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.
Characteristic length of the knotting probability revisited
NASA Astrophysics Data System (ADS)
Uehara, Erica; Deguchi, Tetsuo
2015-09-01
We present a self-avoiding polygon (SAP) model for circular DNA in which the radius of impermeable cylindrical segments corresponds to the screening length of double-stranded DNA surrounded by counter ions. For the model we evaluate the probability for a generated SAP with N segments having a given knot K through simulation. We call it the knotting probability of a knot K with N segments for the SAP model. We show that when N is large the most significant factor in the knotting probability is given by the exponentially decaying part exp(-N/NK), where the estimates of parameter NK are consistent with the same value for all the different knots we investigated. We thus call it the characteristic length of the knotting probability. We give formulae expressing the characteristic length as a function of the cylindrical radius rex, i.e. the screening length of double-stranded DNA.
Impedance of finite length resistive cylinder
NASA Astrophysics Data System (ADS)
Krinsky, S.; Podobedov, B.; Gluckstern, R. L.
2004-11-01
We determine the impedance of a cylindrical metal tube (resistor) of radius a, length g, and conductivity σ 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, ka2≪g, the impedance per unit length is accurately described by the well-known result for an infinite length tube with conductivity σ. In the transient regime, ka2≫g, where the contribution of transition radiation arising from the discontinuity in conductivity is important, we derive an analytic expression for the impedance and compute the short-range wakefield. The analytic results are shown to agree with numerical evaluation of the impedance.
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.
Phase coherence length in silicon photonic platform.
Yang, Yisu; Ma, Yangjin; Guan, Hang; Liu, Yang; Danziger, Steven; Ocheltree, Stewart; Bergman, Keren; Baehr-Jones, Tom; Hochberg, Michael
2015-06-29
We report for the first time two typical phase coherence lengths in highly confined silicon waveguides fabricated in a standard CMOS foundry's multi-project-wafer shuttle run in the 220nm silicon-on-insulator wafer with 248nm lithography. By measuring the random phase fluctuations of 800 on-chip silicon Mach-Zehnder interferometers across the wafer, we extracted, with statistical significance, the coherence lengths to be 4.17 ± 0.42 mm and 1.61 ± 0.12 mm for single mode strip waveguide and rib waveguide, respectively. We present a new experimental method to quantify the phase coherence length. The theory model is verified by both our and others' experiments. Coherence length is expected to become one key parameter of the fabrication non-uniformity to guide the design of silicon photonics. PMID:26191700
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.
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
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).
Nucleosome repeat lengths and columnar chromatin structure.
Trifonov, Edward N
2016-06-01
Thorough quantitative study of nucleosome repeat length (NRL) distributions, conducted in 1992 by J. Widom, resulted in a striking observation that the linker lengths between the nucleosomes are quantized. Comparison of the NRL average values with the MNase cut distances predicted from the hypothetical columnar structure of chromatin (this work) shows a close correspondence between the two. This strongly suggests that the NRL distribution, actually, reflects the dominant role of columnar chromatin structure common for all eukaryotes. PMID:26208520
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.
Tracheoesophageal fistula length decreases over time.
Jiang, Nancy; Kearney, Ann; Damrose, Edward J
2016-07-01
The objectives of this study were to demonstrate that the length of the tracheoesophageal voice prosthesis changes over time and to determine whether the prosthesis length over time increased, decreased, or showed no predictable change in size. A retrospective chart review was performed at a tertiary care referral center. Patients who underwent either primary or secondary tracheoesophageal puncture between January 2006 and August 2014 were evaluated. Patients were excluded if the tracheoesophageal prosthesis size was not consistently recorded or if they required re-puncturing for an extruded prosthesis. Data analyzed included patient demographics and the length of the tracheoesophageal voice prosthesis at each change. A total of 37 patients were identified. The mean age was 64 years. Seventy-six percent were male. 24 % underwent primary tracheoesophageal puncture and 76 % underwent secondary tracheoesophageal puncture. The length of the prosthesis decreased over time (median Kendall correlation coefficient = -0.60; mean = -0.44) and this correlation between length and time was significant (p = 0.00085). Therefore, in conclusion, tracheoesophageal prosthesis length is not constant over time. The tracheoesophageal wall thins, necessitating placement of shorter prostheses over time. Patients with a tracheoesophageal voice prosthesis will require long-term follow-up and repeat sizing of their prosthesis. Successful tracheoesophageal voicing will require periodic reevaluation of these devices, and insurers must, therefore, understand that long-term professional care will be required to manage these patients and their prostheses. PMID:26951219
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)
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.
NASA Astrophysics Data System (ADS)
Cherniak, D. J.
2004-05-01
Xenotime is an important mineral in metamorphic paragenesis, and useful in isotopic dating, garnet-xenotime thermometry, and monazite-xenotime thermometry, so diffusion data for xenotime of cations of geochronological and geochemical importance are of some interest. We report here on diffusion of the rare earth elements Sm, Dy and Yb in synthetic xenotime under dry conditions. The synthetic xenotime was grown via a Na2}CO{3}-MoO_{3 flux method. The source of diffusant for the experiments were REE phosphate powders, with experiments run with sources containing a single REE. Experiments were performed by placing source and xenotime in Pt capsules, and annealing capsules in 1 atm furnaces for times ranging from thirty minutes to a month, at temperatures from 1000 to 1400C. The REE distributions in the xenotime were profiled by Rutherford Backscattering Spectrometry (RBS). The following Arrhenius relations are obtained for diffusion in xenotime, normal to (101): DSm = 1.7x10-4 exp(-442 kJ mol-1/RT) m2}sec{-1 DDy = 3.5x10-7 exp(-365 kJ mol-1/RT) m2}sec{-1 DYb = 7.4x10-7 exp(-371 kJ mol-1/RT) m2}sec{-1. Diffusivities of these REE do not differ greatly in xenotime, in contrast to the findings noted for the REE in zircon (Cherniak et al., 1997), where the LREE diffuse more slowly, and with higher activation energies for diffusion, than the heavier rare earths. In zircon, these differences among diffusion of the rare earths are attributed to the relatively large size of the REE with respect to Zr, for which they substitute in the zircon lattice. With the systematic increase in ionic radius from the heavy to lighter REE, this size mismatch becomes more pronounced and diffusivities of the LREE are as consequence slower. Although xenotime is isostructural with zircon, the REE are more closely matched in size to Y, so in xenotime this effect appears much smaller and the REE diffuse at similar rates. In addition, the process of diffusion in xenotime likely involves simple REE+3
NASA Astrophysics Data System (ADS)
Cherniak, D.; Liang, Y.
2008-12-01
Diffusion of titanium has been characterized in natural enstatite and diopside under buffered conditions and in air. The sources of diffusant for the enstatite experiments were mixtures of Mg, Si and Ti oxide powders, which were combined and heated at 1300°C overnight, and then thoroughly mixed with synthesized enstatite powder and heated for an additional day at 1300°C. Sources for diopside experiments were prepared similarly, using Ca, Mg, Si, and Ti oxide powders combined with synthesized diopside powder, with heating of source materials at 1200°C. Buffered experiments were prepared by enclosing source material and pyroxene (polished and pre-annealed under conditions comparable to those to be experienced in the experiment) in AgPd or platinum capsules, placing the metal capsule in a silica glass capsule with a solid buffer (to buffer at NNO or IW) and sealing the assembly under vacuum. Some experiments on enstatite were run in air; sample and source were placed in Pt capsules and crimped shut. Prepared capsules were then annealed in 1 atm furnaces for times ranging from 8 hours to a few months, at temperatures from 950 to 1200°C. The Ti distributions in the pyroxene were profiled with Rutherford Backscattering Spectrometry (RBS). The following Arrhenius relation is obtained for Ti diffusion in a natural enstatite, for diffusion normal to the (210) cleavage face (950 - 1150°C, experiments run in air): DTi = 1.9×10-10 exp(-300 ± 44 kJ mol-1/RT) m2 sec-1. Diffusion under NNO and IW-buffered conditions is similar to that for experiments run in air, suggesting little dependence of Ti diffusion on oxygen fugacity. There is also little evidence of anisotropy, as diffusion normal to (001) does not differ significantly from diffusion for the other orientation. Preliminary findings for Ti diffusion in diopside suggest diffusivities similar to those for enstatite. Ti diffusivities in enstatite are similar to those of the trivalent REEs (Cherniak and Liang, 2007
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
Load Diffusion in Composite and Smart Structures
NASA Technical Reports Server (NTRS)
Horgan, Cornelius O.; Ambur, D. (Technical Monitor); Nemeth, M. P. (Technical Monitor)
2003-01-01
The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses.
Diffusion induced stresses in buckling battery electrodes
NASA Astrophysics Data System (ADS)
Bhandakkar, Tanmay K.; Johnson, Harley T.
2012-06-01
Highly networked nanostructured battery electrode materials offer the possibility of achieving both rapid battery charge-discharge rates and high storage capacity. Recently, lithium ion battery (LIB) electrodes based on a 2-D honeycomb architecture were shown to undergo remarkable and reversible morphological changes during the lithiation process. Charge-discharge rates in 3-D composite electrode have also been shown to benefit from sandwiching the electrolytically active material between highly conductive ion and electron transport pathways to reduce electrical resistance and solid-state diffusion lengths. In the present work we simulate and analyze the observed morphological changes in honeycomb electrodes, with and without the presence of conductive pathways, during the lithiation-delithiation process. Diffusion induced stresses are analyzed for such structures undergoing elastic-plastic deformation during cycling. The results show that such a periodic, nanostructured electrode geometry allows for the presence of buckling-like deformation modes, which effectively reduce the resulting mechanical stresses that lead to electrode failure.
Diffusive evolution of experimental braided rivers
NASA Astrophysics Data System (ADS)
Reitz, Meredith D.; Jerolmack, Douglas J.; Lajeunesse, Eric; Limare, Angela; Devauchelle, Olivier; Métivier, François
2014-05-01
Water flowing over a loose granular bed organizes into a braided river, a network of ephemeral and interacting channels. The temporal and spatial evolution of this network of braided channels is not yet quantitatively understood. In ˜1 m-scale experiments, we found that individual channels exhibit a self-similar geometry and near-threshold transport conditions. Measurements of the rate of growth of topographic correlation length scales, the time scale of system-slope establishment, and the random spatial decorrelation of channel locations indicate together that the evolution of the braided river system may be diffusive in nature. This diffusion is due to the separation of scales between channel formation and network evolution, and the random motion of interacting channels when viewed at a coarse-grained scale.
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
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
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
Counterion Diffusion in Ionomers
NASA Astrophysics Data System (ADS)
Walter, Russell; Winey, Karen; Kim, Joon-Seop; Composto, Russell
2004-03-01
Diffusion of Cs counterions to the air/ionomer film interface is followed using Rutherford backscattering spectrometry and results compared with the "sticky reptation" model[1]. The ionomer system is poly(styrene-ran-methacrylic acid) (Cs-SMAA) neutralized at 100% by Cs. The concentration profiles exhibit a surface excess, z*, of Cs followed by a depletion of Cs. The z* and depletion layer thickness grow as t1/2, consistent with diffusion limited growth. Annealing studies at 130 °C, 145 °C and 208 °C were used to extract the diffusion coefficient, D. In all cases, D is greater than that of the matrix chains. These results suggest that the diffusion rate is controlled by the fraction of counterions that disassociate from the acid groups and migrate through the matrix. Moreover, the "sticky reptation" model doesn't appear to predict the diffusion behavior in the Cs-SMAA system. [1] Leibler, L, Ludwick, L., Rubinstein, M., Colby, R.H., Macromolecules 24 (1991) 4701.
Correlation between the forearm plus little finger length and the femoral length.
Naik, Monappa A; Sujir, Premjit; Tripathy, Sujit Kumar; Goyal, Tarun; Rao, Sharath K
2013-08-01
PURPOSE. To assess the correlation between the forearm plus little finger length and the femoral length in 100 volunteers. METHODS. The forearm plus little finger length and the ipsilateral femoral length of 68 male and 32 female volunteers aged 19 to 55 (mean, 35.8) years were measured using a measuring tape. The forearm plus litter finger length was measured from the tip of the olecranon to the tip of the little finger, whereas the femoral length was measured from the tip of the greater trochanter to the level of proximal pole of the patella over the outer aspect of thigh. Two observers made the measurements on 2 separate occasions. Intra- and inter-observer variations were calculated. A value of 0.75 or greater indicated excellent agreement. RESULTS. The mean forearm plus little finger length and femoral length were 39.87 (SD, 2.73) and 39.85 (SD, 2.44) cm, respectively. The mean difference between these 2 measurements was 0.028 (95% CI, -0.109 to 0.165) cm. The correlation between these 2 measurements was 0.861 (p<0.001). Patient age, sex, and body mass index did not affect this correlation. The intra- and inter-observer reliability was excellent. CONCLUSION. The forearm plus little finger length correlated with the femoral length. This method is simple, radiation-free, and can be applied in day-today practice. PMID:24014776
Chromosome-length polymorphism in fungi.
Zolan, M E
1995-01-01
The examination of fungal chromosomes by pulsed-field gel electrophoresis has revealed that length polymorphism is widespread in both sexual and asexual species. This review summarizes characteristics of fungal chromosome-length polymorphism and possible mitotic and meiotic mechanisms of chromosome length change. Most fungal chromosome-length polymorphisms are currently uncharacterized with respect to content and origin. However, it is clear that long tandem repeats, such as tracts of rRNA genes, are frequently variable in length and that other chromosomal rearrangements are suppressed during normal mitotic growth. Dispensable chromosomes and dispensable chromosome regions, which have been well documented for some fungi, also contribute to the variability of the fungal karyotype. For sexual species, meiotic recombination increases the overall karyotypic variability in a population while suppressing genetic translocations. The range of karyotypes observed in fungi indicates that many karyotypic changes may be genetically neutral, at least under some conditions. In addition, new linkage combinations of genes may also be advantageous in allowing adaptation of fungi to new environments. PMID:8531892
Tactile length contraction as Bayesian inference.
Tong, Jonathan; Ngo, Vy; Goldreich, Daniel
2016-08-01
To perceive, the brain must interpret stimulus-evoked neural activity. This is challenging: The stochastic nature of the neural response renders its interpretation inherently uncertain. Perception would be optimized if the brain used Bayesian inference to interpret inputs in light of expectations derived from experience. Bayesian inference would improve perception on average but cause illusions when stimuli violate expectation. Intriguingly, tactile, auditory, and visual perception are all prone to length contraction illusions, characterized by the dramatic underestimation of the distance between punctate stimuli delivered in rapid succession; the origin of these illusions has been mysterious. We previously proposed that length contraction illusions occur because the brain interprets punctate stimulus sequences using Bayesian inference with a low-velocity expectation. A novel prediction of our Bayesian observer model is that length contraction should intensify if stimuli are made more difficult to localize. Here we report a tactile psychophysical study that tested this prediction. Twenty humans compared two distances on the forearm: a fixed reference distance defined by two taps with 1-s temporal separation and an adjustable comparison distance defined by two taps with temporal separation t ≤ 1 s. We observed significant length contraction: As t was decreased, participants perceived the two distances as equal only when the comparison distance was made progressively greater than the reference distance. Furthermore, the use of weaker taps significantly enhanced participants' length contraction. These findings confirm the model's predictions, supporting the view that the spatiotemporal percept is a best estimate resulting from a Bayesian inference process. PMID:27121574
Influence of mandibular length on mouth opening.
Dijkstra, P U; Hof, A L; Stegenga, B; de Bont, L G
1999-02-01
Theoretically, mouth opening not only reflects the mobility of the temporomandibular joints (TMJs) but also the mandibular length. Clinically, the exact relationship between mouth opening, mandibular length, and mobility of TMJs is unclear. To study this relationship 91 healthy subjects, 59 women and 32 men (mean age 27.2 years, s.d. 7.5 years, range 13-56 years) were recruited from the patients of the Department of Oral and Maxillofacial Surgery of University Hospital, Groningen. Mouth opening, mobility of TMJs and mandibular length were measured. The mobility of TMJs was measured as the angular displacement of the mandible relative to the cranium, the angle of mouth opening (AMO). Mouth opening (MO) correlated significantly with mandibular length (ML) (r = 0.36) and AMO (r = 0.66). The regression equation MO = C1 x ML x AMO + C2, in which C = 0.53 and C2 = 25.2 mm, correlated well (r = 0.79) with mouth opening. It is concluded that mouth opening reflects both mobility of the TMJs and mandibular length. PMID:10080308
The evolution mechanism of intron length.
Zhang, Qiang; Li, Hong; Zhao, Xiao-Qing; Xue, Hui; Zheng, Yan; Meng, Hu; Jia, Yun; Bo, Su-Ling
2016-08-01
Within two years of their discovery in 1977, introns were found to have a positive effect on gene expression. Our result shows that introns can achieve gene expression and regulation through interaction with corresponding mRNA sequences. On the base of Smith-Waterman method, local comparing helps us get the optimal matched segments between intron sequences and mRNA sequences. Studying the distribution regulation of the optimal matching region on intron sequences of ribosomal protein genes about 27 species, we find that the intron length evolution processes beginning from 5' end to 3' end and increasing one by one structural unit, which comes up with a possible mechanism for the intron length evolution. The intron of structure units is conservative with about 60bp length, but the length of linker sequence between structure units changes a lot. Interestingly, distributions of the length and matching rate of optimal matched segments are consistent with sequence features of miRNA and siRNA. These results indicate that the interaction between intron sequences and mRNA sequences is a kind of functional RNA-RNA interaction. Meanwhile, the two kinds of sequences above are co-evolved and interactive to play their functions. PMID:27449197
Functional scoliosis caused by leg length discrepancy
Daniszewska, Barbara; Zolynski, Krystian
2010-01-01
Introduction Leg length discrepancy (LLD) causes pelvic obliquity in the frontal plane and lumbar scoliosis with convexity towards the shorter extremity. Leg length discrepancy is observed in 3-15% of the population. Unequalized lower limb length discrepancy leads to posture deformation, gait asymmetry, low back pain and discopathy. Material and methods In the years 1998-2006, 369 children, aged 5 to 17 years (209 girls, 160 boys) with LLD-related functional scoliosis were treated. An external or internal shoe lift was applied. Results Among 369 children the discrepancy of 0.5 cm was observed in 27, 1 cm in 329, 1.5 cm in 9 and 2 cm in 4 children. During the first follow-up examination, within 2 weeks, the adjustment of the spine to new static conditions was noted and correction of the curve in 316 examined children (83.7%). In 53 children (14.7%) the correction was observed later and was accompanied by slight low back pain. The time needed for real equalization of limbs was 3 to 24 months. The time needed for real equalization of the discrepancy was 11.3 months. Conclusions Leg length discrepancy equalization results in elimination of scoliosis. Leg length discrepancy < 2 cm is a static disorder; that is why measurements should be performed in a standing position using blocks of adequate thickness and the position of the posterior superior iliac spine should be estimated. PMID:22371777
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
Revisiting Blob Theory for DNA Diffusivity in Slitlike Confinement
NASA Astrophysics Data System (ADS)
Dai, Liang; Tree, Douglas R.; van der Maarel, Johan R. C.; Dorfman, Kevin D.; Doyle, Patrick S.
2013-04-01
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.
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.
Biased diffusion in three-dimensional comb-like structures
NASA Astrophysics Data System (ADS)
Berezhkovskii, Alexander M.; Dagdug, Leonardo; Bezrukov, Sergey M.
2015-04-01
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.
A computational kinetic model of diffusion for molecular systems
Teo, Ivan; Schulten, Klaus
2013-01-01
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. PMID:24089741
A computational kinetic model of diffusion for molecular systems
NASA Astrophysics Data System (ADS)
Teo, Ivan; Schulten, Klaus
2013-09-01
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.
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.
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.
NASA Astrophysics Data System (ADS)
Cherstvy, Andrey G.; Metzler, Ralf
2015-05-01
We study generalized anomalous diffusion processes whose diffusion coefficient D(x, t) ∼ D0|x|αtβ depends on both the position x of the test particle and the process time t. This process thus combines the features of scaled Brownian motion and heterogeneous diffusion parent processes. We compute the ensemble and time averaged mean squared displacements of this generalized diffusion process. The scaling exponent of the ensemble averaged mean squared displacement is shown to be the product of the critical exponents of the parent processes, and describes both subdiffusive and superdiffusive systems. We quantify the amplitude fluctuations of the time averaged mean squared displacement as function of the length of the time series and the lag time. In particular, we observe a weak ergodicity breaking of this generalized diffusion process: even in the long time limit the ensemble and time averaged mean squared displacements are strictly disparate. When we start to observe this process some time after its initiation we observe distinct features of ageing. We derive a universal ageing factor for the time averaged mean squared displacement containing all information on the ageing time and the measurement time. External confinement is shown to alter the magnitudes and statistics of the ensemble and time averaged mean squared displacements.
Impedance spectroscopy of bacterial membranes: Co-enzyme Q diffusion in a finite diffusion layer
Jeuken, Lars J.C.; Weiss, Sophie A; Henderson, Peter J.F.; Evans, Stephen D.; Bushby, Richard J.
2013-01-01
The inner membrane of Escherichia coli, over-expressing an ubiquinol oxidase, cytochrome bo3 (cbo3), was tethered in a planar configuration to a gold electrode. Electron transfer to cbo3 was achieved via native ubiquinol-8 or added ubiquinol-10 and impedance spectroscopy was used to characterise the diffusion properties of the ubiquinol/ubiquinone in the tethered membrane system. Spectra were obtained at varying DC potentials covering the potential window in which the voltammetric catalytic wave of cbo3 is visible. These spectra were compared to those obtained after addition of a potent inhibitor of cbo3, cyanide, and the difference in impedance was analysed using a derived equivalent circuit, which is similar to that of Open Finite-Length Diffusion (OFLD) or the finite Warburg circuit, but with the boundary conditions modified to account for the fact that ubiquinol reoxidation is limited by enzyme activity. Analysis of the impedance spectra of the tethered membrane system gave kinetic parameters that are consistent with values obtained using cyclic voltammetry. Importantly, the diffusion rate of ubiquinone (10−13 - 10−12 cm2/s) was found to be orders of magnitude lower than accepted values for lateral diffusion (10−8 - 10−7 cm2/s). It is hypothesised that this result represent perpendicular diffusion of quinone across the membrane, corresponding to a ‘flip’ time between 0.05 and 1 s. PMID:19551979
Diffusion imaging concepts for clinicians.
Neil, Jeffrey J
2008-01-01
This review covers the fundamentals of diffusion tensor imaging. It is written with the clinician in mind and assumes the reader has a passing familiarity with magnetic resonance imaging (MRI). Topics covered include comparison of diffusion MRI with conventional MRI, water apparent diffusion coefficient (ADC), diffusion anisotropy, tract tracing, and changes of water apparent diffusion in response to injury. The discussion centers primarily on applications to the central nervous system, but examples from other tissues are included. PMID:18050325
NASA Astrophysics Data System (ADS)
Bertmer, Marko; Demco, Dan E.; Wang, Mingfei; Melian, Claudiu; Marcean-Chelcea, Ramona I.; Fechete, Radu; Baias, Maria; Blümich, Bernhard
2006-11-01
Segmental dynamic heterogeneity of short-chain grafted poly(dimethylsiloxane) (PDMS) on pyrogenic silica was investigated using 1H NMR spin-diffusion. A double-quantum dipolar filter was employed for selection of the interface (rigid) region. One-dimensional spin-diffusion equations were solved numerically for a space distribution of spin diffusivity D( x) of the mobile PDMS chains. The degree of heterogeneity can be quantified by the parameters of Gaussian and exponential diffusivity distribution functions which yield similar diffusivities. The rigid and mobile domain sizes and spin diffusivities were correlated with the PDMS chain length, the temperature, and 1H residual dipolar couplings.
Altered Maxwell equations in the length gauge
NASA Astrophysics Data System (ADS)
Reiss, H. R.
2013-09-01
The length gauge uses a scalar potential to describe a laser field, thus treating it as a longitudinal field rather than as a transverse field. This distinction is manifested by the fact that the Maxwell equations that relate to the length gauge are not the same as those for transverse fields. In particular, a source term is necessary in the length-gauge Maxwell equations, whereas the Coulomb-gauge description of plane waves possesses the basic property of transverse fields that they propagate with no source terms at all. This difference is shown to be importantly consequential in some previously unremarked circumstances; and it explains why the Göppert-Mayer gauge transformation does not provide the security that might be expected of full gauge equivalence.
Resonance effects in neutron scattering lengths
Lynn, J.E.
1989-06-01
The nature of neutron scattering lengths is described and the nuclear effects giving rise to their variation is discussed. Some examples of the shortcomings of the available nuclear data base, particularly for heavy nuclei, are given. Methods are presented for improving this data base, in particular for obtaining the energy variation of the complex coherent scattering length from long to sub-/angstrom/ wave lengths from the available sources of slow neutron cross section data. Examples of this information are given for several of the rare earth nuclides. Some examples of the effect of resonances in neutron reflection and diffraction are discussed. This report documents a seminar given at Argonne National Laboratory in March 1989. 18 refs., 18 figs.
Force and Length in the Mitotic Spindle
Dumont, Sophie; Mitchison, Timothy J.
2009-01-01
The mitotic spindle assembles to a steady-state length at metaphase through the integrated action of molecular mechanisms that generate and respond to mechanical forces. While molecular mechanisms that produce force have been described, our understanding of how they integrate with each other, and with the assembly-disassembly mechanisms that regulate length, is poor. We review current understanding of the basic architecture and dynamics of the metaphase spindle, and some of the elementary force producing mechanisms. We then discuss models for force integration, and spindle length determination. We also emphasize key missing data that notably includes absolute values of forces, and how they vary as a function of position, within the spindle. PMID:19906577
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
Wilkinson, P; Dimbylow, P J
1985-10-01
A mathematical model has been developed that examines the ingress of radon into houses, through a vertical crack in an otherwise impervious concrete floor. Initially, the model considered the diffusive flow of radon from its soil source and this simulation has highlighted the dependency of the flux of radon into the house on the magnitude of various parameters, such as the diffusion coefficient of radon in soil. A preliminary investigation of the modelling of pressure-driven flow into a building is presented, and the potential of this type of analysis is discussed. PMID:4081719
NASA Astrophysics Data System (ADS)
Knox, Keith T.
1999-10-01
As we approach the new millennium, error diffusion is approaching the 25th anniversary of its invention. Because of its exceptionally high image quality, it continues to be a popular choice among digital halftoning algorithms. Over the last 24 years, many attempts have been made to modify and improve the algorithm--to eliminate unwanted textures and to extend it to printing media and color. Some of these modifications have been very successful and are in use today. This paper will review the history of the algorithm and its modifications. Three watershed events in the development of error diffusion will be described, together with the lessons learned along the way.
NASA Astrophysics Data System (ADS)
Knox, Keith T.
1998-12-01
As we approach the new millennium, error diffusion is approaching the 25th anniversary of its invention. Because of its exceptionally high image quality, it continues to be a popular choice among digital halftoning algorithms. Over the last 24 years, many attempts have been made to modify and improve the algorithm - to eliminate unwanted textures and to extend it to printing media and color. Some of these modifications have been very successful and are in use today. This paper will review the history of the algorithm and its modifications. Three watershed events in the development of error diffusion will be described, together with the lesions learned along the way.
NASA Astrophysics Data System (ADS)
Walter, H. U.
Dimensionless number analysis indicates that diffusion-controlled conditions with liquid samples having characteristic dimensions larger than one millimetre can only be established under microgravity conditions.Consequently, heat and mass transport properties of fluids can only be quantitatively investigated in space.Results obtained from experiments on selfdiffusion, interdiffusion and thermodiffusion carried out during the SL-1 and D-1 Spacelab missions clearly demonstrate the potential of space platforms to determine such properties with a precision unattainable on earth. These results imply also that crystal growth from solutions, vapours and melts in the diffusive regime can be realised in space only.
Length, protein protein interactions, and complexity
NASA Astrophysics Data System (ADS)
Tan, Taison; Frenkel, Daan; Gupta, Vishal; Deem, Michael W.
2005-05-01
The evolutionary reason for the increase in gene length from archaea to prokaryotes to eukaryotes observed in large-scale genome sequencing efforts has been unclear. We propose here that the increasing complexity of protein-protein interactions has driven the selection of longer proteins, as they are more able to distinguish among a larger number of distinct interactions due to their greater average surface area. Annotated protein sequences available from the SWISS-PROT database were analyzed for 13 eukaryotes, eight bacteria, and two archaea species. The number of subcellular locations to which each protein is associated is used as a measure of the number of interactions to which a protein participates. Two databases of yeast protein-protein interactions were used as another measure of the number of interactions to which each S. cerevisiae protein participates. Protein length is shown to correlate with both number of subcellular locations to which a protein is associated and number of interactions as measured by yeast two-hybrid experiments. Protein length is also shown to correlate with the probability that the protein is encoded by an essential gene. Interestingly, average protein length and number of subcellular locations are not significantly different between all human proteins and protein targets of known, marketed drugs. Increased protein length appears to be a significant mechanism by which the increasing complexity of protein-protein interaction networks is accommodated within the natural evolution of species. Consideration of protein length may be a valuable tool in drug design, one that predicts different strategies for inhibiting interactions in aberrant and normal pathways.
Telomerase Activity and Telomere Length in Daphnia
Schumpert, Charles; Nelson, Jacob; Kim, Eunsuk; Dudycha, Jeffry L.; Patel, Rekha C.
2015-01-01
Telomeres, comprised of short repetitive sequences, are essential for genome stability and have been studied in relation to cellular senescence and aging. Telomerase, the enzyme that adds telomeric repeats to chromosome ends, is essential for maintaining the overall telomere length. A lack of telomerase activity in mammalian somatic cells results in progressive shortening of telomeres with each cellular replication event. Mammals exhibit high rates of cell proliferation during embryonic and juvenile stages but very little somatic cell proliferation occurs during adult and senescent stages. The telomere hypothesis of cellular aging states that telomeres serve as an internal mitotic clock and telomere length erosion leads to cellular senescence and eventual cell death. In this report, we have examined telomerase activity, processivity, and telomere length in Daphnia, an organism that grows continuously throughout its life. Similar to insects, Daphnia telomeric repeat sequence was determined to be TTAGG and telomerase products with five-nucleotide periodicity were generated in the telomerase activity assay. We investigated telomerase function and telomere lengths in two closely related ecotypes of Daphnia with divergent lifespans, short-lived D. pulex and long-lived D. pulicaria. Our results indicate that there is no age-dependent decline in telomere length, telomerase activity, or processivity in short-lived D. pulex. On the contrary, a significant age dependent decline in telomere length, telomerase activity and processivity is observed during life span in long-lived D. pulicaria. While providing the first report on characterization of Daphnia telomeres and telomerase activity, our results also indicate that mechanisms other than telomere shortening may be responsible for the strikingly short life span of D. pulex. PMID:25962144
Telomerase activity and telomere length in Daphnia.
Schumpert, Charles; Nelson, Jacob; Kim, Eunsuk; Dudycha, Jeffry L; Patel, Rekha C
2015-01-01
Telomeres, comprised of short repetitive sequences, are essential for genome stability and have been studied in relation to cellular senescence and aging. Telomerase, the enzyme that adds telomeric repeats to chromosome ends, is essential for maintaining the overall telomere length. A lack of telomerase activity in mammalian somatic cells results in progressive shortening of telomeres with each cellular replication event. Mammals exhibit high rates of cell proliferation during embryonic and juvenile stages but very little somatic cell proliferation occurs during adult and senescent stages. The telomere hypothesis of cellular aging states that telomeres serve as an internal mitotic clock and telomere length erosion leads to cellular senescence and eventual cell death. In this report, we have examined telomerase activity, processivity, and telomere length in Daphnia, an organism that grows continuously throughout its life. Similar to insects, Daphnia telomeric repeat sequence was determined to be TTAGG and telomerase products with five-nucleotide periodicity were generated in the telomerase activity assay. We investigated telomerase function and telomere lengths in two closely related ecotypes of Daphnia with divergent lifespans, short-lived D. pulex and long-lived D. pulicaria. Our results indicate that there is no age-dependent decline in telomere length, telomerase activity, or processivity in short-lived D. pulex. On the contrary, a significant age dependent decline in telomere length, telomerase activity and processivity is observed during life span in long-lived D. pulicaria. While providing the first report on characterization of Daphnia telomeres and telomerase activity, our results also indicate that mechanisms other than telomere shortening may be responsible for the strikingly short life span of D. pulex. PMID:25962144
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
Irradiance calibration with solar diffuser
NASA Technical Reports Server (NTRS)
Haring, Robert E. (Inventor); Roeder, Herbert A. (Inventor); Hartmann, Ulli G. (Inventor)
1993-01-01
The sun's energy is used in combination of movable and fixed diffuser plates, windows and apertures which are positioned in a series of test sequences (modes) for reflectance monitoring and calibration without the use of man-made sources. There are three embodiments, or implementations, of the invention--one embodiment uses two diffusers--a working diffuser and a secondary diffuser--the second embodiment uses three diffusers, a working diffuser, a secondary diffuser and a reference diffuser--and the third embodiment uses two diffusers--a working diffuser and a secondary diffuser, the latter also functioning as a cover for the working diffuser. The movable diffusers are mounted on rotatable cones and, in all embodiments, the sun is blocked from reaching the diffusers when not in use. Thus, the sun is used as a stable source for calibration and monitoring and the sun/diffuser combination is used in such a way that the response of all elements of the optical subsystem of the TOMS can be unambiguously and efficiently characterized with high accuracy and precision.
How Cells Measure Length on Subcellular Scales.
Marshall, Wallace F
2015-12-01
Cells are not just amorphous bags of enzymes, but precise and complex machines. With any machine, it is important that the parts be of the right size, yet our understanding of the mechanisms that control size of cellular structures remains at a rudimentary level in most cases. One problem with studying size control is that many cellular organelles have complex 3D structures that make their size hard to measure. Here we focus on linear structures within cells, for which the problem of size control reduces to the problem of length control. We compare and contrast potential mechanisms for length control to understand how cells solve simple geometry problems. PMID:26437596
The minimal length and quantum partition functions
NASA Astrophysics Data System (ADS)
Abbasiyan-Motlaq, M.; Pedram, P.
2014-08-01
We study the thermodynamics of various physical systems in the framework of the generalized uncertainty principle that implies a minimal length uncertainty proportional to the Planck length. We present a general scheme to analytically calculate the quantum partition function of the physical systems to first order of the deformation parameter based on the behavior of the modified energy spectrum and compare our results with the classical approach. Also, we find the modified internal energy and heat capacity of the systems for the anti-Snyder framework.
Apparatus for fabricating continuous lengths of superconductor
Kroeger, Donald M.; List, III, Frederick A.
2002-01-01
A process and apparatus 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 comprising a layer of said superconducting precursor powder between said first substrate ribbon and said second substrates ribbon. The layered superconductor is then heat treated to establish the superconducting phase of said superconductor precursor powder.
Apparatus for fabricating continuous lengths of superconductor
Kroeger, Donald M.; List, III, Frederick A.
2001-01-01
A process and apparatus 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 comprising a layer of said superconducting precursor powder between said first substrate ribbon and said second substrates ribbon. The layered superconductor is then heat treated to establish the superconducting phase of said superconductor precursor powder.
NASA Astrophysics Data System (ADS)
Sathiyanarayanan, Rajesh; Pandey, R. K.; Murali, K. V. R. M.
2015-01-01
Using first-principles simulations, we have computed incorporation energies and diffusion barriers of ammonia, the nitrogen molecule and atomic nitrogen in monoclinic hafnia (m-HfO2). Our calculations show that ammonia is likely to dissociate into an NH2 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-HfO2. 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).
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.
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)