A theoretical basis for using virtual worlds as a personalised process visualisation approach

Communication processes are vital in the lifecycle of BPM projects. With this in mind, much research has been performed into facilitating this key component between stakeholders. Amongst the methods used to support this process are personalized process visualisations. In this paper, we review the development of this visualization trend, then, we propose a theoretical analysis framework based upon communication theory. We use this framework to provide theoretical support to the conjecture that 3D virtual worlds are powerful tools for communicating personalised visualisations of processes within a workplace. Meta requirements are then derived and applied, via 3D virtual world functionalities, to generate example visualisations containing personalized aspects, which we believe enhance the process of communcation between analysts and stakeholders in BPM process (re)design activities.

Exit humidity of wet scrubbers for underground coal mines

A wet scrubber is a device used in underground coal mines for the exhaust treatment system of various internal combustion engines (generally diesel) primarily as a spark arrestor with a secondary function to remove pollutants from the exhaust gas. A pool of scrubbing liquid (generally water based) is used in conjunction with a Diesel Particulate Filter (DPF). Scrubbers are widely used in underground applications of diesel engines as their exhaust contains high concentration of harmful diesel particulate matter (DPM) and other pollutant gases. Currently the DPFs have to be replaced frequently because moisture output from the wet scrubber blocks the filter media and causes reduced capacity. This paper presents experimental and theoretical studies on the heat and mass transfer mechanisms of the exhaust flow both under and above the water surface, aiming at finding the cause and effects of the moisture reaching the filters and employing a solution to reduce the humidity and DPM output, and to prolong the change-out period of the DPF. By assuming a steady flow condition, heat transfer from the inlet exhaust gas balances energy required for the water evaporation. Hence the exit humidity will decrease with the increase of exit temperature. Experiments on a real scrubber are underway.

Hybrid graphene and graphitic carbon nitride nanocomposite : gap opening, electron–hole puddle, interfacial charge transfer, and enhanced visible light response

Opening up a band gap and finding a suitable substrate material are two big challenges for building graphene-based nanodevices. Using state-of-the-art hybrid density functional theory incorporating long range dispersion corrections, we investigate the interface between optically active graphitic carbon nitride (g-C3N4) and electronically active graphene. We find an inhomogeneous planar substrate (g-C3N4) promotes electronrich and hole-rich regions, i.e., forming a well-defined electron−hole puddle, on the supported graphene layer. The composite displays significant charge transfer from graphene to the g-C3N4 substrate, which alters the electronic properties of both components. In particular, the strong electronic coupling at the graphene/g-C3N4 interface opens a 70 meV gap in g-C3N4-supported graphene, a feature that can potentially allow overcoming the graphene’s band gap hurdle in constructing field effect transistors. Additionally, the 2-D planar structure of g-C3N4 is free of dangling bonds, providing an ideal substrate for graphene to sit on. Furthermore, when compared to a pure g-C3N4 monolayer, the hybrid graphene/g-C3N4 complex displays an enhanced optical absorption in the visible region, a promising feature for novel photovoltaic and photocatalytic applications.

Nanoporous Graphitic-C3N4@Carbon Metal-Free Electrocatalysts for Highly Efficient Oxygen Reduction

Based on theoretical prediction, a g-C3N4@carbon metal-free oxygen reduction reaction (ORR) electrocatalyst was designed and synthesized by uniform incorporation of g-C3N4 into a mesoporous carbon to enhance the electron transfer efficiency of g-C3N4. The resulting g-C3N4@carbon composite exhibited competitive catalytic activity (11.3 mA cm–2 kinetic-limiting current density at −0.6 V) and superior methanol tolerance compared to a commercial Pt/C catalyst. Furthermore, it demonstrated significantly higher catalytic efficiency (nearly 100% of four-electron ORR process selectivity) than a Pt/C catalyst. The proposed synthesis route is facile and low-cost, providing a feasible method for the development of highly efficient electrocatalysts.

Electronic functionality in graphene-based nanoarchitectures : discovery and design via first-principles modeling

Graphene has promised many novel applications in nanoscale electronics and sustainable energy due to its novel electronic properties. Computational exploration of electronic functionality and how it varies with architecture and doping presently runs ahead of experimental synthesis yet provides insights into types of structures that may prove profitable for targeted experimental synthesis and characterization. We present here a summary of our understanding on the important aspects of dimension, band gap, defect, and interfacial engineering of graphene based on state-of-the-art ab initio approaches. Some most recent experimental achievements relevant for future theoretical exploration are also covered.

A comparative study on the mineralogy, chemistry and chronology of the Apollo 16 crystalline impact melt breccias. Part II: Chronology.

The controversy on how to interpret the ages of lunar highland breccias has recently been discussed by James [1]. Are the measured ages testimony of true events in lunar history; do they represent the age of the ancient crustal rocks, mixed ages of unequilibrated matrix-phenocryst relationships, or merely thermal events subsequent to the formational event ? It is certain from analyses of terrestrial impact melt breccias that the melt matrix of whole impact melt sheets is isotopically equilibrated due to the extensive mixing process of the early cratering stage [2,3]. It has been shown that isotopic equilibration takes place between impact melt matrix and target rock clasts therein, with the intensity of isotopic exchange depending on the degree of shock metamorphism, thermal metamorphism and the size of the clasts [4]. Therefore, impact melt breccias - if they are relatively clast-poor and mineralogically well studied - can be considered to be the most reliable source for information on the impact history of the lunar highland.

VESUVIO : a novel instrument for performing spectroscopic studies in condensed matter with eV neutrons at the ISIS facility

The VESUVIO project aims to provide unique prototype instrumentation at the ISIS-pulsed neutron source and to establish a routine experimental and theoretical program in neutron scattering spectroscopy at eV energies. This instrumentation will be specifically designed for high momentum, , and energy transfer inelastic neutron scattering studies of microscopic dynamical processes in materials and will represent a unique facility for EU researchers. It will allow to derive single-particle kinetic energies and single-particle momentum distributions, n(p), providing additional and/or complementary information to other neutron inelastic spectroscopic techniques.

A comparison of forward and reverse bias operation in a Pt/nanostructured ZnO Schottky diode based hydrogen sensor

A hydrogen gas sensor based on Pt/nanostructured ZnO Schottky diode has been developed. Our proposed theoretical model allows for the explanation of superior dynamic performance of the reverse biased diode when compared to the forward bias operation. The sensor was evaluated with low concentration H2 gas exposures over a temperature range of 280°C to 430°C. Upon exposure to H2 gas, the effective change in free carrier concentration at the Pt/structured ZnO interface is amplified by an enhancement factor, effectively lowering the reverse barrier, producing a large voltage shift. The lowering of the reverse barrier permits a faster response in reverse bias operation, than in forward bias operation.

Theoretical framework for a management decision evaluation system

A theoretical framework for a construction management decision evaluation system for project selection by means of a literature review. The theory is developed by the examination of the major factors concerning the project selection decision from a deterministic viewpoint, where the decision-maker is assumed to possess 'perfect knowledge' of all the aspects involved. Four fundamental project characteristics are identified together with three meaningful outcome variables. The relationship within and between these variables are considered together with some possible solution techniques. The theory is next extended to time-related dynamic aspects of the problem leading to the implications of imperfect knowledge and a non­deterministic model. A solution technique is proposed in which Gottinger's sequential machines are utilised to model the decision process,

Speech interference and transmission on residential balconies with road traffic noise

Balcony acoustic treatments can mitigate the effects of community road traffic noise. To further investigate, a theoretical study into the effects of balcony acoustic treatment combinations on speech interference and transmission is conducted for various street geometries. Nine different balcony types are investigated using a combined specular and diffuse reflection computer model. Diffusion in the model is calculated using the radiosity technique. The balcony types include a standard balcony with or without a ceiling and with various combinations of parapet, ceiling absorption and ceiling shield. A total of 70 balcony and street geometrical configurations are analyzed with each balcony type, resulting in 630 scenarios. In each scenario the reverberation time, speech interference level (SIL) and speech transmission index (STI) are calculated. These indicators are compared to determine trends based on the effects of propagation path, inclusion of opposite buildings and difference with a reference position outside the balcony. The results demonstrate trends in SIL and STI with different balcony types. It is found that an acoustically treated balcony reduces speech interference. A parapet provides the largest improvement, followed by absorption on the ceiling. The largest reductions in speech interference arise when a combination of balcony acoustic treatments are applied.

Theoretical study of two states reactivity of methane activation on iron atom and iron dimer

Density functional theory (DFT) calculations have been carried out to explore the catalytic activation of C–H bonds in methane by the iron atom, Fe, and the iron dimer, Fe2. For methane activation on an Fe atom, the calculations suggest that the activation of the first C–H bond is mediated via the triplet excited-state potential energy surface (PES), with initial excitation of Fe to the triplet state being necessary for the reaction to be energetically feasible. Compared with the breaking of the first C–H bond, the cleavage of the second C–H bond is predicted to involve a significantly higher barrier, which could explain experimental observations of the HFeCH3 complex rather than CH2FeH2 in the activation of methane by an Fe atom. For methane activation on an iron dimer, the cleavage of the first C–H bond is quite facile with a barrier only 11.2, 15.8 and 8.4 kcal/mol on the septet state energy surface at the B3LYP/6-311+G(2df,2dp), BPW91/6-311+G(2df,2dp) and M06/B3LYP level, respectively. Cleavage of the second C–H bond from HFe2CH3 involves a barrier calculated respectively as 18.0, 10.7 and 12.4 kcal/mol at the three levels. The results suggest that the elimination of hydrogen from the dihydrogen complex is a rate-determining step. Overall, our results indicate that the iron dimer Fe2 has a stronger catalytic effect on the activation of methane than the iron atom.

Field-effect transistors fabricated from diluted magnetic semiconductor colloidal nanowires

Field-effect transistors (FETs) fabricated from undoped and Co2+-doped CdSe colloidal nanowires show typical n-channel transistor behaviour with gate effect. Exposed to microscope light, a 10 times current enhancement is observed in the doped nanowire-based devices due to the significant modification of the electronic structure of CdSe nanowires induced by Co2+-doping, which is revealed by theoretical calculations from spin-polarized plane-wave density functional theory.

Rapid microwave-assisted synthesis of Mn3O4–graphene nanocomposite and its lithium storage properties

A nanocomposite of Mn3O4 wrapped in graphene sheets (GSs) was successfully synthesized via a facile, effective, energy-saving, and scalable microwave hydrothermal technique. The morphology and microstructures of the fabricated GS–Mn3O4 nanocomposite were characterized using various techniques. The results indicate that the particle size of the Mn3O4 particles in the nanocomposite markedly decreased to nearly 20 nm, significantly smaller than that for the bare Mn3O4. Electrochemical measurements demonstrated a high specific capacity of more than 900 mA h g−1 at 40 mA g−1, and excellent cycling stability with no capacity decay can be observed up to 50 cycles. All of these properties are also interpreted by experimental studies and theoretical calculations.

Academic success in context-based chemistry : Demonstrating fluid transitions between concepts and context

Curriculum developers and researchers have promoted context-based programmes to arrest waning student interest and participation in the enabling sciences at high school and university. Context-based programmes aim for student connections between scientific discourse and real-world contexts to elevate curricular relevance without diminishing conceptual understanding. This interpretive study explored the learning transactions in one 11th grade context-based chemistry classroom where the context was the local creek. The dialectic of agency/structure was used as a lens to examine how the practices in classroom interactions afforded students the agency for learning. The results suggest that first, fluid transitions were evident in the student–student interactions involving successful students; and second, fluid transitions linking concepts to context were evident in the students’ successful reports. The study reveals that the structures of writing and collaborating in groups enabled students’ agential and fluent movement between the field of the real-world creek and the field of the formal chemistry classroom. Furthermore, characteristics of academically successful students in context-based chemistry are highlighted. Research, teaching, and future directions for context-based science teaching are discussed.

Higher order thinking in chemistry curriculum and its assessment

Higher-order thinking has featured persistently in the reform agenda for science education. The intended curriculum in various countries sets out aspirational statements for the levels of higher-order thinking to be attained by students. This study reports the extent to which chemistry examinations from four Australian states align and facilitate the intended higher-order thinking skills stipulated in curriculum documents. Through content analysis, the curriculum goals were identified for each state and compared to the nature of question items in the corresponding examinations. Categories of higher-order thinking were adapted from the OECD’s PISA Science test to analyze question items. There was considerable variation in the extent to which the examinations from the states supported the curriculum intent of developing and assessing higher-order thinking. Generally, examinations that used a marks-based system tended to emphasize lower-order thinking, with a greater distribution of marks allocated for lower-order thinking questions. Examinations associated with a criterion-referenced examination tended to award greater credit for higher-order thinking questions. The level of complexity of chemistry was another factor that limited the extent to which examination questions supported higher-order thinking. Implications from these findings are drawn for the authorities responsible for designing curriculum and assessment procedures and for teachers.