A density functional theory study on the water formation at high coverages and the water effect in the Fischer-Tropsch synthesis

The O removal through water formation is an important process in the Fischer-Tropsch synthesis. In this study, both steps in water formation (O + H --> OH, OH + H --> H2O) are studied on the stepped Co(0001) at high coverages using density functional theory. We find the following. (i) In both O-O and O-OH co-adsorption systems, two transition states (TSs) were located for the O hydrogenation: in one TS, both O and H are on the same terrace, and in the other they are at the interface between the step edge and the terrace below. (ii) In both the O-O and O-OH co-adsorption systems, the O hydrogenation at the interface is easier (E-a = 0.32 eV in the O-O system, E-a = 1.10 eV in the O-OH system) than that on the same terrace (E-a = 1.49 eV in the O-O system, E-a = 1.80 eV in the O-OH system). (iii) In both the O-O and O-OH co-adsorption systems, only one TS for the OH hydrogenation was located, in which both OH and H are on the same terrace. (iv) Compared to the OH hydrogenation in the O-OH system (E-a = 1.46 eV), the reaction in the OH-OH system (E-a = 0.64 eV) is much easier. The barrier differences and the water effect on the Fischer-Tropsch synthesis are discussed. A possible route with low barriers for water formation is proposed.

A Context-Dependent Algorithm for Merging Uncertain Information in Possibility Theory

The need to merge multiple sources of uncertaininformation is an important issue in many application areas,especially when there is potential for contradictions betweensources. Possibility theory offers a flexible framework to represent,and reason with, uncertain information, and there isa range of merging operators, such as the conjunctive anddisjunctive operators, for combining information. However, withthe proposals to date, the context of the information to be mergedis largely ignored during the process of selecting which mergingoperators to use. To address this shortcoming, in this paper,we propose an adaptive merging algorithm which selects largelypartially maximal consistent subsets (LPMCSs) of sources, thatcan be merged through relaxation of the conjunctive operator, byassessing the coherence of the information in each subset. In thisway, a fusion process can integrate both conjunctive and disjunctiveoperators in a more flexible manner and thereby be morecontext dependent. A comparison with related merging methodsshows how our algorithm can produce a more consensual result.

Entrepreneurial and Business Growth and the Quest for a “Comprehensive Theory”: Tilting at Windmills?

Even though there has been sustained interest in growth for almost 50 years, relatively little is known about this phenomenon and much confusion and misunderstanding surrounds it. Based on a literature review and the articles in this special issue we make three recommendations that we believe will allow theory to advance and be applicable in practice. First, that discourse between key stakeholders is encouraged in order to achieve greater understanding. Second, that focus is placed on " growth as a process," rather than as a " change in amount." Third, that knowledge production requires inclusivity and pluralism in research perspectives and approaches. © 2010 Baylor University.

Pygmalion in the reintegration process: Desistance from crime through the looking glass

The study of desistance from crime has come of age in recent years, and there are now several, competing theories to account for the ability of long-term offenders to abstain from criminal behavior. Most prominently, recent explanations have borrowed elements from informal social control theory, differential association theory and cognitive psychology. In the following, we argue that labeling theory may be a neglected factor in understanding the desistance process. Drawing on interview data collected as part of a study of an offender reintegration program, we illustrate how the idea of the

Accounting change: Explaining the outcomes, interpreting the process

Purpose: The issue of accounting change, why and how accounting evolves through time and within specific organisational settings, has been addressed by an important body of literature. This paper aims to explain why, in processes of accounting change, organisations confronting similar environmental pressures show different outcomes of change.

Design/methodology/approach: Drawing on archetype theory, the paper analyses the case of two Italian local governments. Comparative case studies were carried out, reconstructing a period of 15 years.

Findings: Although confronted with similar environmental pressures, the two cases show two different patterns of accounting change, where only one case is able to finally reach radical change. Accounting change can be prompted by external stimuli, but, once the change is prompted, the outcomes of the change are explained by the dynamics of intra-organisational conditions.

Originality/value: The study contributes to accounting change literature by adopting an approach (i.e. archetype theory) that overcomes some of the limitations of previous studies in explaining variations in organisational change. Through this, the authors are able to explain different outcomes and paces of accounting change and point out the intra-organisational factors also affecting them in the presence of similar environmental pressures. A specification of the theoretical framework in a particular setting is also provided.

Making Sense of Leaving Care: The contribution of Bridges Model of Transition to Understanding the Psycho-social process.

This paper is based on research into the transition of young people leaving public care in Romania. Using this specific country example, the paper aims to contribute to present understandings of the psycho-social transition of young people from care to independent living by introducing the use of Bridges (2002) to build on existing theories and literature. The research discussed involved mixed methods design and was implemented in three phases: semi-structured interviews with 34 care leavers, focus groups with 32 professionals, and a professional-service user working group. The overall findings confirmed that young people experience two different, but interconnected transitions - social and psychological - which take place at different paces. A number of theoretical perpectives are explored to make sense of this transition including attachment theory, focal theory and identity. In addition, a new model for understanding the complex process of transitions was adapted from Bridges’ (2002) to capture the clear complexity of transition which the findings demonstrated in terms of their psycho-social transition. The paper concludes with messages for leaving and after care services with an emphasis on managing the psycho-social transition from care to independent living.

Beyond the Sign. Henri Meschonnic's Poetics of Rhythm and Continuum. Towards an Anthropological Theory of Language

Basing the conception of language on the sign represents also an obstacle to the awareness of certain elements of human life, especially to a full understanding of what language or art do, Henri Meschonnic’s poetics of the continuum and of rhythm criticizes the sign based on Benveniste’s terms of rhythm and discourse, developing an anthropology of language. Rhythm, for Meschonnic, is no formal metrical but a semantic principle, each time unique and unforeseeable. As for Humboldt, his starting point is not the word but the ensemble of speech; language is not ergon but energeia. The poem then is not a literary form but a process of transformation that Meschonnic defines as the invention of a form of life by a form of language and vice versa. Thus a poem is a way of thinking and rhythm is form in movement. The particular subject of art and literature is consequently not the author but a process of subjectivation – this is the contrary of the conception of the sign. By demonstrating the limits of the sign, Meschonnic’s poetics attempts to thematize the intelligibility of presence. Art and literature raise our awareness of this element of human life we cannot grasp conceptually. This poetical thinking is a necessary counterforce against all institutionalization.

Bridging Jeffrey's Rule, AGM Revision and Dempster Conditioning in the Theory of Evidence

Belief revision characterizes the process of revising an agent’s beliefs when receiving new evidence. In the field of artificial intelligence, revision strategies have been extensively studied in the context of logic-based formalisms and probability kinematics. However, so far there is not much literature on this topic in evidence theory. In contrast, combination rules proposed so far in the theory of evidence, especially Dempster rule, are symmetric. They rely on a basic assumption, that is, pieces of evidence being combined are considered to be on a par, i.e. play the same role. When one source of evidence is less reliable than another, it is possible to discount it and then a symmetric combination operation
is still used. In the case of revision, the idea is to let prior knowledge of an agent be altered by some input information. The change problem is thus intrinsically asymmetric. Assuming the input information is reliable, it should be retained whilst the prior information should be changed minimally to that effect. To deal with this issue, this paper defines the notion of revision for the theory of evidence in such a way as to bring together probabilistic and logical views. Several revision rules previously proposed are reviewed and we advocate one of them as better corresponding to the idea of revision. It is extended to cope with inconsistency between prior and input information. It reduces to Dempster
rule of combination, just like revision in the sense of Alchourron, Gardenfors, and Makinson (AGM) reduces to expansion, when the input is strongly consistent with the prior belief function. Properties of this revision rule are also investigated and it is shown to generalize Jeffrey’s rule of updating, Dempster rule of conditioning and a form of AGM revision.

A Competence-Based Post-Disaster Reconstruction Process: Findings from Sri Lanka

As natural disasters continue to escalate in frequency and magnitude, NGOs are faced with numerous barriers as they attempt to implement post-disaster reconstruction (PDR) projects. In many cases, a lack of competency in key areas leads to a reduction in overall project success. This paper utilizes the competency-based framework of von Meding et al. (2010) as the starting point of its inquiry. In this context, a leading NGO responsible for the implementation of reconstruction and rehabilitation in Sri Lanka following the Asian Tsunami has been investigated in depth using a causal mapping interview procedure with key project staff. The combined barriers within this organization’s PDR operations have been identified and measured and solutions articulated. The study found that within this organization key objectives were to achieve the ‘build back better’ mantra and to effectively plan interventions in advance. The primary barriers to successful reconstruction were identified as the high turnover rate of humanitarian staff and a poor level of communication and co-operation between agencies. An essential strategy employed to combat these barriers is the consideration of staff capabilities, which links us back to competence-based theory. The results are highly valuable in the context of an ongoing wider research study on competence within humanitarian organizations.

The Supremacy of the Sequence: Key Elements and Dimensions in the Process of Change

How single organizations manage the process of change and why only some of them are able to actually reach radical change are central questions in today’s theoretical debate. The role played by the process of change and its dimensions (namely, pace, sequence and linearity), however, has been poorly investigated. Drawing on archetype theory, this paper explores: (i) whether a specific pace of radical change exists; (ii) whether different outcomes of change are characterized by different sequences of change in key-structures and systems (iii) how the three dimensions of the process of change possibly interact. As an example of organizational change the study takes into consideration processes of accounting change in three departments of two Canadian and two Italian municipalities. The results suggest the supremacy of the sequence of implemented changes over the other two dimensions of the process in order to achieve a radical outcome of change.

Density Functional Theory Study on the Cleavage Mechanism of the Carbonyl Bond in Amides on Flat and Stepped Ru Surfaces: Hydrogen-Induced or Direct C-O Bond Breaking?

We have performed density functional theory (DFT) calculations to investigate the reaction mechanism of the cleavage of the carbonyl bond in amides on both flat and stepped Ru surfaces. The simplest amide molecule, N,N-dimethylacetamide (DMA), was used as the exemplar model molecule. Through the calculations, the most stable transition states (TSs) in all the pathways on both flat and stepped Ru surfaces are identified. Comparing the energy profiles of different reaction pathways, we find that a direct cleavage mechanism is always energetically favored as compared with an alternative hydrogen-induced mechanism on either the flat or stepped Ru surface. It is easier for the dissociation process to occur on the stepped surface than on the flat surface. However, as compared with the terrace, the superiority of step sites boosting the C-O bond dissociation is not as evident as that on CO dissociation.

‘Emergent reconstruction’ in grounded theory: learning from team-based interview research

Constructivist grounded theory (CGT) methods render an interpretive portrayal, a construction of reality, strengthened when the process of construction is acknowledged. An Irish team study uses CGT to explore intergenerational solidarity at individual, familial and societal levels, and their interface. The study data comprise interviews with 100 people from diverse socio-economic and
age groups. The article contributes insights on applying CGT in team-based interview research on a topic with such breadth of scope. This contrasts with the more usual focused inquiry with a defined population. Adapting the method’s guidelines to the specific inquiry involved challenges in: framing the topic conceptually; situating research participants in contrasting social contexts to
provide interpretive depth; and generating interview data with which to construct theory. We argue that interrogating the very premise of the inquiry allowed for emergent reconstruction, a goal at the heart of the method.

Modelling and characterization of ultrasonic consolidation process of Aluminium alloys

Ultrasonic consolidation process is a rapid manufacturing process used to join thin layers of metal at low temperatures and low energy consumption. In this work, finite element method has been used to simulate the ultrasonic consolidation of Aluminium alloys 6061 (AA-6061) and 3003 (AA-3003). A thermomechanical material model has been developed in the framework of continuum cyclic plasticity theory which takes into account both volume (acoustic softening) and surface (thermal softening due to friction) effects. A friction model based on experimental studies has been developed, which takes into account the dependence of coefficient of friction upon contact pressure, amount of slip, temperature and number of cycles. Using the developed material and friction model ultrasonic consolidation (UC) process has been simulated for various combinations of process parameters involved. Experimental observations are explained on the basis of the results obtained in the present study. The current research provides the opportunity to explain the differences of the behaviour of AA-6061 and AA-3003 during the ultrasonic consolidation process. Finally, trends of the experimentally measured fracture energies of the bonded specimen are compared to the predicted friction work at the weld interface resulted from the simulation at similar process condition. Similarity of the trends indicates the validity of the developed model in its predictive capability of the process. © 2008 Materials Research Society.