Study of translational and rotational mobility and orientational preference of ethane in one-dimensional channels

Structural and dynamical properties of ethane in one-dimensional channels of AlPO4-5 and carbon nanotube have been investigated at dilute concentration with the help of molecular dynamics simulation. Density distributions and orientational structure of ethane have been analyzed. Repulsive interactions seem to play an important role when ethane is located in the narrow part of the AlPO4-5 channel. In AlPO4-5, parallel orientation is predominant over perpendicular orientation except when ethane is located in the broader part of the channel. Unlike in the case of single-file diffusion, our results in carbon nanotube show that at dilute concentrations the mean squared displacement, mu(2)(t) approximate to t(alpha), alpha = 1.8. The autocorrelation function for the z-component of angular velocity of ethane in space-fixed frame of reference shows a pronounced negative correlation. This is attributed to the restriction in the movement of ethane along the x- and y- directions. It is seen that the ratio of reorientational correlation times does not follow the Debye model for confined ethane but it is closer to the predictions of the Debye model for bulk ethane.

A trust model for routing in MANETs: a cognitive agents based approach

Mobile ad hoc networks (MANETs) is one of the successful wireless network paradigms which offers unrestricted mobility without depending on any underlying infrastructure. MANETs have become an exciting and im- portant technology in recent years because of the rapid proliferation of variety of wireless devices, and increased use of ad hoc networks in various applications. Like any other networks, MANETs are also prone to variety of attacks majorly in routing side, most of the proposed secured routing solutions based on cryptography and authentication methods have greater overhead, which results in latency problems and resource crunch problems, especially in energy side. The successful working of these mechanisms also depends on secured key management involving a trusted third authority, which is generally difficult to implement in MANET environ-ment due to volatile topology. Designing a secured routing algorithm for MANETs which incorporates the notion of trust without maintaining any trusted third entity is an interesting research problem in recent years. This paper propose a new trust model based on cognitive reasoning,which associates the notion of trust with all the member nodes of MANETs using a novel Behaviors-Observations- Beliefs(BOB) model. These trust values are used for detec- tion and prevention of malicious and dishonest nodes while routing the data. The proposed trust model works with the DTM-DSR protocol, which involves computation of direct trust between any two nodes using cognitive knowledge. We have taken care of trust fading over time, rewards, and penalties while computing the trustworthiness of a node and also route. A simulator is developed for testing the proposed algorithm, the results of experiments shows incorporation of cognitive reasoning for computation of trust in routing effectively detects intrusions in MANET environment, and generates more reliable routes for secured routing of data.

Modeling of temperature and field-dependent electron mobility in a single-layer graphene sheet

In this paper, we address a physics-based analytical model of electric-field-dependent electron mobility (mu) in a single-layer graphene sheet using the formulation of Landauer and Mc Kelvey's carrier flux approach under finite temperature and quasi-ballistic regime. The energy-dependent, near-elastic scattering rate of in-plane and out-of-plane (flexural) phonons with the electrons are considered to estimate mu over a wide range of temperature. We also demonstrate the variation of mu with carrier concentration as well as the longitudinal electric field. We find that at high electric field (>10(6) Vm(-1)), the mobility falls sharply, exhibiting the scattering between the electrons and flexural phonons. We also note here that under quasi-ballistic transport, the mobility tends to a constant value at low temperature, rather than in between T-2 and T-1 in strongly diffusive regime. Our analytical results agree well with the available experimental data, while the methodologies are put forward to estimate the other carrier-transmission-dependent transport properties.

Virus-sized colloid transport in a single pore: Model development and sensitivity analysis

A mathematical model is developed to simulate the transport and deposition of virus-sized colloids in a cylindrical pore throat considering various processes such as advection, diffusion, colloid-collector surface interactions and hydrodynamic wall effects. The pore space is divided into three different regions, namely, bulk, diffusion and potential regions, based on the dominant processes acting in each of these regions. In the bulk region, colloid transport is governed by advection and diffusion whereas in the diffusion region, colloid mobility due to diffusion is retarded by hydrodynamic wall effects. Colloid-collector interaction forces dominate the transport in the potential region where colloid deposition occurs. The governing equations are non-dimensionalized and solved numerically. A sensitivity analysis indicates that the virus-sized colloid transport and deposition is significantly affected by various pore-scale parameters such as the surface potentials on colloid and collector, ionic strength of the solution, flow velocity, pore size and colloid size. The adsorbed concentration and hence, the favorability of the surface for adsorption increases with: (i) decreasing magnitude and ratio of surface potentials on colloid and collector, (ii) increasing ionic strength and (iii) increasing pore radius. The adsorbed concentration increases with increasing Pe, reaching a maximum value at Pe = 0.1 and then decreases thereafter. Also, the colloid size significantly affects particle deposition with the adsorbed concentration increasing with increasing particle radius, reaching a maximum value at a particle radius of 100 nm and then decreasing with increasing radius. System hydrodynamics is found to have a greater effect on larger particles than on smaller ones. The secondary minimum contribution to particle deposition has been found to increase as the favorability of the surface for adsorption decreases. The sensitivity of the model to a given parameter will be high if the conditions are favorable for adsorption. The results agree qualitatively with the column-scale experimental observations available in the literature. The current model forms the building block in upscaling colloid transport from pore scale to Darcy scale using Pore-Network Modeling. (C) 2014 Elsevier By. All rights reserved.

A Gaussian network model study suggests that structural fluctuations are higher for inactive states than active states of protein kinases

We performed Gaussian network model based normal mode analysis of 3-dimensional structures of multiple active and inactive forms of protein kinases. In 14 different kinases, a more number of residues (1095) show higher structural fluctuations in inactive states than those in active states (525), suggesting that, in general, mobility of inactive states is higher than active states. This statistically significant difference is consistent with higher crystallographic B-factors and conformational energies for inactive than active states, suggesting lower stability of inactive forms. Only a small number of inactive conformations with the DFG motif in the ``in'' state were found to have fluctuation magnitudes comparable to the active conformation. Therefore our study reports for the first time, intrinsic higher structural fluctuation for almost all inactive conformations compared to the active forms. Regions with higher fluctuations in the inactive states are often localized to the aC-helix, aG-helix and activation loop which are involved in the regulation and/or in structural transitions between active and inactive states. Further analysis of 476 kinase structures involved in interactions with another domain/protein showed that many of the regions with higher inactive-state fluctuation correspond to contact interfaces. We also performed extensive GNM analysis of (i) insulin receptor kinase bound to another protein and (ii) holo and apo forms of active and inactive conformations followed by multi-factor analysis of variance. We conclude that binding of small molecules or other domains/proteins reduce the extent of fluctuation irrespective of active or inactive forms. Finally, we show that the perceived fluctuations serve as a useful input to predict the functional state of a kinase.

Geographical mobility and the labour market

This paper studies the e ect of home-owners' migration costs on migration and unemployment in an economy where workers move both for work- and nonwork- related reasons. To this end, a search model with heterogeneous locations is developed and calibrated to the U.S. economy. Consistent with the empirical evidence, the model predicts that home-owners have a lower unemployment rate than renters despite their higher migration costs. The result is due to home-owners' higher transition rate to employment and lower transition rate to unemployment.In addition, the model generates lower inequality in home-owners' local unemployment rates than in renters'. In line with this result, it is documented that, for the period 1996-2013, home-owners had less unemployment dispersion across metropolitan areas than renters.

Unified circuit model for the polysilicon TFT

This paper proposes two methods to improve the modelling of thin film transistors (TFTs). The first involves integrating Poissons equation numerically, given a density of trap states and other relevant material parameters including a constant mobility. Theresult is conductance as a numerical function of gate voltage. The second method recognizes that the data for areal conductance found by numerical integration, may easily be found by measurement without making assumptions about the density of trap states.

Effect of microbial activities on the mobility of copper in stabilised contaminated soil

Stabilisation, using a wide range of binders including wastes, is most effective for heavy metal soil contamination. Bioremediation techniques, including bioaugmentation to enhance soil microbial population, are most effective for organic contaminants in the soil. For mixed contaminant scenarios a combination of these two techniques is currently being investigated. An essential issue in this combined remediation system is the effect of microbial processes on the leachability of the heavy metals. This paper considers the use of zeolite and compost as binder additives combined with bioaugmentation treatments and their effect on copper leachability in a model contaminated soil. Different leaching test conditions are considered including both NRA and TCLP batch leaching tests as well as flow-through column tests. Two flow rates are applied in the flow-through tests and the two leaching tests are compared. Recommendations are given as to the effectiveness of this combined remediation technique in the immobilisation of copper. © 2005 Taylor & Francis Group.

Weak anti-localization in InAlAs/InGaAs/InAlAs high mobility two-dimensional electron gas systems

Magneto-transport measurements have been carried out on three heavily Si delta-doped In-0.52 Al-0.48 As/In-0.53 Ga-0.47 As/In-0.52 A(10.48) As single quantum well samples in which two subbands were occupied by electrons. The weak anti-localization (WAL) has been found in such high electron mobility systems. The strong Rashba spin-orbit (SO) coupling is due to the high structure inversion asymmetry (SIA) of the quantum wells. Since the WAL theory model is so complicated in fitting our experimental results, we obtained the Rashba SO coupling constant alpha and the zero-field spin splitting Delta(0) by an approximate approach. The results are consistent with that obtained by the Shubnikov-de Haas (SdH) oscillation analysis. The WAL effect in high electron mobility system suggests that finding a useful approach for deducing alpha and Delta(0) is important in designing future spintronics devices that utilize the Rashba SO coupling.

A model for scattering due to interface roughness in finite quantum wells

A model for scattering due to interface roughness in finite quantum wells (QWs) is developed within the framework of the Boltzmann transport equation and a simple and explicit expression between mobility limited by interface roughness scattering and barrier height is obtained. The main advantage of our model is that it does not involve complicated wavefunction calculations, and thus it is convenient for predicting the mobility in thin finite QWs. It is found that the mobility limited by interface roughness is one order of amplitude higher than the results derived by assuming an infinite barrier, for finite barrier height QWs where x = 0.3. The mobility first decreases and then flattens out as the barrier confinement increases. The experimental results may be explained with monolayers of asperity height 1-2, and a correlation length of about 33 angstrom. The calculation results are in excellent agreement with the experimental data from AlxGa1-xAs/GaAs QWs.

Effect of the implantation of fluorine on the mobility of channel electron for partially depleted SOI nMOSFET

The mobility of channel electron, for partially depleted Sol nMOSFET in this paper, decreases with the increase of implanted fluorine dose in buried oxide layer. But, the experimental results also show that it is larger for the transistor corresponding to the lowest implantation dose than no implanted fluorine in buried layer. It is explained in tern-is of a "lubricant" model. Mien fluorine atoms are implanted in the top silicon layer, the mobility is the largest. In addition, a positive shift of threshold voltage has also been observed for the transistors fabricated on the Sol wafers processed by the implantation of fluorine. The causes of all the above results are discussed.

Detour-Based Mobility Coordination in DTNs

Commonly, research work in routing for delay tolerant networks (DTN) assumes that node encounters are predestined, in the sense that they are the result of unknown, exogenous processes that control the mobility of these nodes. In this paper, we argue that for many applications such an assumption is too restrictive: while the spatio-temporal coordinates of the start and end points of a node's journey are determined by exogenous processes, the specific path that a node may take in space-time, and hence the set of nodes it may encounter could be controlled in such a way so as to improve the performance of DTN routing. To that end, we consider a setting in which each mobile node is governed by a schedule consisting of a ist of locations that the node must visit at particular times. Typically, such schedules exhibit some level of slack, which could be leveraged for DTN message delivery purposes. We define the Mobility Coordination Problem (MCP) for DTNs as follows: Given a set of nodes, each with its own schedule, and a set of messages to be exchanged between these nodes, devise a set of node encounters that minimize message delivery delays while satisfying all node schedules. The MCP for DTNs is general enough that it allows us to model and evaluate some of the existing DTN schemes, including data mules and message ferries. In this paper, we show that MCP for DTNs is NP-hard and propose two detour-based approaches to solve the problem. The first (DMD) is a centralized heuristic that leverages knowledge of the message workload to suggest specific detours to optimize message delivery. The second (DNE) is a distributed heuristic that is oblivious to the message workload, and which selects detours so as to maximize node encounters. We evaluate the performance of these detour-based approaches using extensive simulations based on synthetic workloads as well as real schedules obtained from taxi logs in a major metropolitan area. Our evaluation shows that our centralized, workload-aware DMD approach yields the best performance, in terms of message delay and delivery success ratio, and that our distributed, workload-oblivious DNE approach yields favorable performance when compared to approaches that require the use of data mules and message ferries.

Like a rolling stone: the mobility of maerl (Corallinaceae) and the neutrality of the associated assemblages

Beds of nonattached coralline algae (maerl or rhodoliths) are widespread and considered relatively species rich. This habitat is generally found in areas where there is chronic physical disturbance such that maerl thalli are frequently moved. Little is known, however, about how natural disturbance regimes affect the species associated with maerl. This study compared the richness, animal abundance, and algal biomass of maerl-associated species over a two-year period in a wave-disturbed bed and a sheltered maerl bed. Changes in associated species over time were assessed for departures from a neutral model in which the dissimilarity between samples reflects random sampling from a common species pool. Algal biomass and species richness at the wave-exposed site and on stabilized maerl at the sheltered site were reduced at times of higher wind speeds. The changes in species richness were not distinguishable from a neutral model, implying that algal species were added at random to the assemblage as the level of disturbance lessened. Results for animal species were more mixed. Although mobile species were less abundant during windy periods at the exposed site, both neutral and non-neutral patterns were evident in the assemblages. Artificial stabilization of maerl had inconsistent effects on the richness of animals but always resulted in more attached algal species. While the results show that the response of a community to disturbance can be neutral, the domain of neutral changes in communities may be relatively small. Alongside non-neutral responses to natural disturbance, artificial stabilization always resulted in an assemblage that was more distinct than would be expected under random sampling from a common pool. Community responses to stabilization treatments did not consistently follow the predictions of the dynamic equilibrium model, the intermediate disturbance model, or a facilitation model. These inconsistencies may reflect site-specific variation in both the disturbance regime and the adjacent habitats that provide source populations for many of the species found associated with maerl.