Universal binding energy relation for cleaved and structurally relaxed surfaces

The universal binding energy relation (UBER), derived earlier to describe the cohesion between two rigid atomic planes, does not accurately capture the cohesive properties when the cleaved surfaces are allowed to relax. We suggest a modified functional form of UBER that is analytical and at the same time accurately models the properties of surfaces relaxed during cleavage. We demonstrate the generality as well as the validity of this modified UBER through first-principles density functional theory calculations of cleavage in a number of crystal systems. Our results show that the total energies of all the relaxed surfaces lie on a single (universal) energy surface, that is given by the proposed functional form which contains an additional length-scale associated with structural relaxation. This functional form could be used in modelling the cohesive zones in crack growth simulation studies. We find that the cohesive law (stress-displacement relation) differs significantly in the case where cracked surfaces are allowed to relax, with lower peak stresses occurring at higher displacements.

Experimental Investigation of the Velocity Effect on Adhesion Forces with an Atomic Force Microscope Atomic Force Microscope

Capillary forces are significantly dominant in adhesive forces measured with an atomic force microscope (AFM) in ambient air, which are always thought to be dependent on water film thickness, relative humidity, and the free energy of water film. We study the nature of the pull-off force on a variety of surfaces as a function of tip velocity. It is found that the capillary forces are of relatively strong dependence on tip velocity. The present experiment is expected to provide a better understanding of the work mechanism of AFM in ambient air.

A comprehensive method for the elastic calculation of the two-point wheel-rail contact

This work shows the method developed to solve the wheel-rail contact problem via a look-up table with a three-dimensional elastic model. This method enables introduction of the two contact point effect on vehicle movement using three-dimensional analysis of surfaces including the influence of the angle of attack. This work presents several dynamic simulations and studies the impact that the introduction of the two contact points on three dimensions has on wear indexes and derailment risk against traditional bidimensional analysis. Furthermore, it studies advantages and disadvantages of using a look-up table against an on-line resolution of the problem.

Digitized Processing Track Generation of a Computer Integrated Multi-Functional 5-Axis Laser Processing System

Based on the computer integrated and flexible laser processing system, an intelligent measuring sub-system was developed. A novel model has been built up to compensate the deviations of the main frame-structure, and a new 3-D laser tracker system is applied to adjust the accuracy of the system. To analyze the characteristic of all kind surfaces of automobile outer penal moulds and dies, classification of types of the surface、brim and ridge(or vale) area to be measured and processed has been established, resulting in one of the main processing functions of the laser processing system. According to different type of surfaces, a 2-D adaptive measuring method based on B?zier curve was developed; furthermore a 3-D adaptive measuring method based on Spline curve was also developed. According to the laser materials processing characteristics and data characteristics, necessary methods have been developed to generate processing tracks, they are explained in details. Measuring experiments and laser processing experiments were carried out to testify the above mentioned methods, which have been applied in the computer integrated and flexible laser processing system developed by the Institute of Mechanics, CAS.

Collective behavior of asperities as a model for friction and adhesion

Understanding friction and adhesion in static and sliding contact of surfaces is important in numerous physical phenomena and technological applications. Most surfaces are rough at the microscale, and thus the real area of contact is only a fraction of the nominal area. The macroscopic frictional and adhesive response is determined by the collective behavior of the population of evolving and interacting microscopic contacts. This collective behavior can be very different from the behavior of individual contacts. It is thus important to understand how the macroscopic response emerges from the microscopic one. In this thesis, we develop a theoretical and computational framework to study the collective behavior. Our philosophy is to assume a simple behavior of a single asperity and study the collective response of an ensemble. Our work bridges the existing well-developed studies of single asperities with phenomenological laws that describe macroscopic rate-and-state behavior of frictional interfaces. We find that many aspects of the macroscopic behavior are robust with respect to the microscopic response. This explains why qualitatively similar frictional features are seen for a diverse range of materials. We first show that the collective response of an ensemble of one-dimensional independent viscoelastic elements interacting through a mean field reproduces many qualitative features of static and sliding friction evolution. The resulting macroscopic behavior is different from the microscopic one: for example, even if each contact is velocity-strengthening, the macroscopic behavior can be velocity-weakening. The framework is then extended to incorporate three-dimensional rough surfaces, long- range elastic interactions between contacts, and time-dependent material behaviors such as viscoelasticity and viscoplasticity. Interestingly, the mean field behavior dominates and the elastic interactions, though important from a quantitative perspective, do not change the qualitative macroscopic response. Finally, we examine the effect of adhesion on the frictional response as well as develop a force threshold model for adhesion and mode I interfacial cracks.

Surface Initiated Polymerization from Substrates of Low Initiator Density and Its Applications in Biosensors

Surface initiated polymerization (SIP) has become an attractive method for tailoring physical and chemical properties of surfaces for a broad range of applications. Most of those application relied on the merit of a high density coating. In this study we explored a long overlooked field of SIP. SIP from substrates of low initiator density. We combined ellipsometry with AFM to investigate the effect of initiatior density and polymerization time on the morphology of polymer coatings. In addition, we carefully adjusted the nanoscale separation of polymer chains to achieve a balance between nonfouling and immobilization capacities. We further tested the performance of those coating on various biosensors, such as quartz crystal microbalance, surface plasmon resonance, and protein microarrays. The optimized matrices enhanced the performance of those biosensors. This report shall encourage researches to explore new frontiers in SIP that go beyond polymer brushes.

Recognition of Surface Reflectance Properties from a Single Image under Unknown Real-World Illumination

This paper describes a machine vision system that classifies reflectance properties of surfaces such as metal, plastic, or paper, under unknown real-world illumination. We demonstrate performance of our algorithm for surfaces of arbitrary geometry. Reflectance estimation under arbitrary omnidirectional illumination proves highly underconstrained. Our reflectance estimation algorithm succeeds by learning relationships between surface reflectance and certain statistics computed from an observed image, which depend on statistical regularities in the spatial structure of real-world illumination. Although the algorithm assumes known geometry, its statistical nature makes it robust to inaccurate geometry estimates.

The Representation of Image Texture

This thesis explores how to represent image texture in order to obtain information about the geometry and structure of surfaces, with particular emphasis on locating surface discontinuities. Theoretical and psychophysical results lead to the following conclusions for the representation of image texture: (1) A texture edge primitive is needed to identify texture change contours, which are formed by an abrupt change in the 2-D organization of similar items in an image. The texture edge can be used for locating discontinuities in surface structure and surface geometry and for establishing motion correspondence. (2) Abrupt changes in attributes that vary with changing surface geometry ??ientation, density, length, and width ??ould be used to identify discontinuities in surface geometry and surface structure. (3) Texture tokens are needed to separate the effects of different physical processes operating on a surface. They represent the local structure of the image texture. Their spatial variation can be used in the detection of texture discontinuities and texture gradients, and their temporal variation may be used for establishing motion correspondence. What precisely constitutes the texture tokens is unknown; it appears, however, that the intensity changes alone will not suffice, but local groupings of them may. (4) The above primitives need to be assigned rapidly over a large range in an image.

Formation and electrical interfacing of nanocrystal-molecule nanostructures

The objective of this thesis work is to develop methods for forming and interfacing nanocrystal-molecule nanostructures in order to explore their electrical transport properties in various controlled environments. This work demonstrates the potential of nanocrystal assemblies for laterally contacting molecules for electronic transport measurements. We first propose a phenomenological model based on rate equations for the formation of hybrid nanocrystal-molecule (respectively: 20 nm – 1.2 nm) nanostructures in solution. We then concentrate on nanocrystals (~ 60 nm) assembled between nano-gaps (~ 40 nm) as a contacting strategy for the measurement of electronic transport properties of thiophene-terminated conjugated molecules (1.5 nm long) in a two-terminal configuration, under vacuum conditions. Similar devices were also probed with a three-terminal configuration using thiophene-terminated oxidation-reduction active molecules (1.8 nm long) in liquid medium for the demonstration of the electrolytic gating technique. The experimental and modelling work presented in this thesis project brings into light physical and chemical processes taking place at the extremely narrow (~1 nm separation) and curved interface between two nanocrystals or one nanocrystal and a grain of a metallic electrode. The formation of molecular bridges at this kind of interface necessitates molecules to diffuse from a large liquid reservoir into the region in the first place. Molecular bonding must occur to the surface for both molecular ends: this is a low yield statistical process in itself as it depends on orientation of surfaces, on steric hindrance at the surface and on binding energies. On the other hand, the experimental work also touched the importance of the competition between potentially immiscible liquids in systems such that (organo-)metallic molecules solvated by organic solvent in water and organic solvent in contact with hydrated citrate stabilised nanocrystals dispersed in solutions or assembled between electrodes from both experimental and simulations point of view.

A density functional theory study of carbon monoxide oxidation on the Cu3Pt(111) alloy surface: Comparison with the reactions on Pt(111) and Cu(111)

Alloying metals is often used as an effective way to enhance the reactivity of surfaces. Aiming to shed light on the effect of alloying on reaction mechanisms, we carry out a comparative study of CO oxidation on Cu3Pt(111), Pt(111), and Cu(111) by means of density functional theory calculations. Alloying effects on the bonding sites and bonding energies of adsorbates, and the reaction pathways are investigated. It is shown that CO preferentially adsorbs on an atop site of Pt and O preferentially adsorbs on a fcc hollow site of three Cu atoms on Cu3Pt(111). It is also found that the adsorption energies of CO (or O-a) decreases on Pt (or Cu) on the alloy surface with respect to those on pure metals. More importantly, having identified the transition states for CO oxidation on those three surfaces, we found an interesting trend for the reaction barrier on the three surfaces. Similar to the adsorption energies, the reaction barrier on Cu3Pt possesses an intermediate value of those on pure Pt and Cu metals. The physical origin of these results has been analyzed in detail. (C) 2001 American Institute of Physics.

Heterogeneous mixed-layer clays from the Cretaceous greensand, Isle of Wight, southern England

The sea-cliffs of the Isle of Wight were deposited during a period of overall sea-level rise starting in the Barremian (Lower Cretaceous) and continuing into the Aptian and Albian. They consist of fluvial, coastal and lagoonal sediments including greensands and clays. Numerous episodes of erosion, deposition and faunal colonization reflect condensation and abandonment of surfaces with firmgrounds and hardgrounds. This study focused mainly on shallow marine cycles where variations in clay mineralogy would not be expected, because overall system composition, sediment source, and thermal history are similar for all the samples in the studied section. Instead we found a wide variety of clay assemblages even in single samples within a 200 in interval.

Experimental validation of the performance of a microreactor for the high-throughput screening of catalytic coatings

In this paper, the results of computational fluid dynamics simulations of flow, temperature, and concentration distributions used in the design of a microreactor for the high-throughput screening of catalytic coatings (Mies et al., Chem. Eng. J. 2004, 101, 225) are compared with experimental data, and good agreement is obtained in all cases. The experimental results on flow distribution were obtained from laser Doppler anemometry measurements in the range of Reynolds numbers from 6 to 113. The measured flow nonuniformity in the separate reactor compartments was below 2%. The temperature distribution was obtained from thermocouple measurements. The temperature nonuniformity between the reactor compartments was below 3 K at a maximum heat production rate of 1.3 W in ethylene oxidation at 425 degrees C over CuO/Al2O3/Al coatings. With respect to concentration gradients, a deviation from the average rate of reaction of only 2.3% was obtained at realistic process conditions in the ethylene ammoxidation process over identical Co-ZSM-5 coatings in all reactor compartments. The cross talking noise between separate compartments does not exceed 0.1% when the reactor parts have a smooth surface finish. This illustrates the importance of ultraprecision machining of surfaces in microtechnology, when interfaces cannot be avoided.

Application of atmospheric pressure nonthermal plasma for the in vitro eradication of bacterial biofilms

The use of atmospheric pressure nonthermal plasma represents an interesting and novel approach for the decontamination of surfaces colonized with microbial biofilms that exhibit enhanced tolerance to antimicrobial challenge. In this study, the influence of an atmospheric pressure nonthermal plasma jet, operated in a helium and oxygen gas mixture under ambient pressure, was evaluated against biofilms of Bacillus cereus,Staphylococcus aureus,Escherichia coli and Pseudomonas aeruginosa. Within <4 min of plasma exposure, complete eradication of the two Gram-positive bacterial biofilms was achieved. Although Gram-negative biofilms required longer treatment time, their complete eradication was still possible with 10 min of exposure. Whilst this study provides useful proof of concept data on the use of atmospheric pressure plasmas for the eradication of bacterial biofilms in vitro, it also demonstrates the critical need for improved understanding of the mechanisms and kinetics related to such a potentially significant approach. © 2012 Federation of European Microbiological Societies.

Photocatalytic destruction of geosmin using novel pelleted titanium dioxide

Geosmin is produced by cyanobacteria and actinomycetes in surface waters. It causes undesirable earthy off-flavours in freshwater fish and is a major concern for the drinking water industry. This paper presents the first published study on the use of the novel pelleted Ti0₂ photocatalyst, Hombikat K01/C, for the removal of geosmin from water. Ti0₂ in pelleted form eliminates the requirement for the separation of the catalyst from the water following treatment which is normally the case with the widely used powdered catalysts. A laboratory reactor was designed to limit system loss since the compound adsorbs to a wide range of surfaces. Initial concentration, aeration rate and irradiation were evaluated. It was found that degradation of geosmin followed the Langmuir-Hinshelwood model. Elevated aeration had no effect on the photocatalytic removal of geosmin, but increasing irradiation was found to increase degradation rates. The catalyst proved effective within 10 min under optimum conditions. 

Hausdorff dimension bounds for smoothness of holonomies for codimension 1 hyperbolic dynamics

We prove that the stable holonomies of a proper codimension 1 attractor Λ, for a Cr diffeomorphism f of a surface, are not C1+θ for θ greater than the Hausdorff dimension of the stable leaves of f intersected with Λ. To prove this result we show that there are no diffeomorphisms of surfaces, with a proper codimension 1 attractor, that are affine on a neighbourhood of the attractor and have affine stable holonomies on the attractor.