Search results for "DF"

Scour on Alluvial Bed Downstream of Grade-Control Structures

2004

This paper describes an approach for predicting local scour downstream of grade control structures. The developed analysis applies the incomplete self-similarity (ISS) theory for deducing some physically based dimensionless groups controlling the geometrical pattern of the scour profile. The scour measurements available in the literature in conjunction with numerous unpublished data allow a multiregressive calibration of the ISS relationships. The experimental sample includes different bed grain-size distributions and scales of the erosive phenomenon. The results prove that the ratio between the upstream water head and the weir height is able to explain the measurements of scour depth carri…

Response spectrum analysis of frame structures: reliability-based comparison between complete quadratic combination and damping-adjusted combination

2019

In the framework of seismic design of structures, response spectrum analysis (RSA) is the most commonly used approach in practice. The most popular combination rule is the complete quadratic combination (CQC) which is also prescribed by the most of seismic design codes and is based on the assumptions that the seismic acceleration is a white noise process and the peak factor ratios associated to the total and modal responses are unitary. Recently, the damping adjusted combination (DAC) rule has been developed for base-isolated structures to overcome the aforementioned simplified assumptions. Although it has been proved that the simplifications about peak factors lead to noticeable errors in …

A DFT mechanistic study of the synthesis of trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl from addition of NH3 to trans-[PtIICl2(N CMe)2]

2020

Abstract The reaction mechanism between trans-[PtIICl2(N CMe)2] and ammonia to give trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl has been studied at DFT level. Results showed that, in dichloromethane solution at 263.15 K, the chloride substitution by the ammonia on platinum is a process kinetically more favoured than the ammonia nucleophilic addition to the nitrile of about three orders of magnitude, and hence the nucleophilic addition reaction occurs after. Finally, both nucleophilic addition steps are geometrically driven to give products in the E configuration even if the final products were experimentally observed in the Z configuration. For trans-Z,Z-[PtIICl(NH3)(N CMe)2, the isomerizatio…

Organisational Learning and Knowledge Management: A Prospective Analysis Based on the Levels of Consciousness

2018

In this chapter, we analyse the concepts of organizational learning and knowledge management by relating them to the levels of human and organizational consciousness. In doing so, we understand the existence of different conceptualizations of both organizational learning and knowledge management, and relate them to several organizational models and levels of organizational learning. The learning organization model is related to the highest level of consciousness and to the highest level of learning: triple-loop learning. We associate this with an organizational learning perspective that stresses the importance of mindfulness, mindful learning, and with a knowledge management perspective tha…

Knowledge Representation on the Web Revisited: The Case for Prototypes

2016

Recently, RDF and OWL have become the most common knowledge representation languages in use on the Web, propelled by the recommendation of the W3C. In this paper we examine an alternative way to represent knowledge based on Prototypes. This Prototype-based representation has different properties, which we argue to be more suitable for data sharing and reuse on the Web. Prototypes avoid the distinction between classes and instances and provide a means for object-based data sharing and reuse.

Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn–Sham complete basis set limit

2016

In this work, regular convergence patterns of the structural, harmonic, and VPT2-calculated anharmonic vibrational parameters of ethylene towards the Kohn–Sham complete basis set (KS CBS) limit are demonstrated for the first time. The performance of the VPT2 scheme implemented using density functional theory (DFT-BLYP and DFT-B3LYP) in combination with two Pople basis sets (6-311++G** and 6-311++G(3df,2pd)), the polarization-consistent basis sets pc-n, aug-pc-n, and pcseg-n (n = 0, 1, 2, 3, 4), and the correlation-consistent basis sets cc-pVXZ and aug-cc-pVXZ (X = D, T, Q, 5, 6) was tested. The BLYP-calculated harmonic frequencies were found to be markedly closer than the B3LYP-calculated h…

Representation of Autonomous Automata

2001

An autonomous automaton is a finite automaton with output in which the input alphabet has cardinality one when special reduced. We define the transition from automata to semigroups via a representation successful if given two incomparable automata (neither simulate the other), the semigroups representing the automata are distinct. We show that representation by the transition semigroup is not successful. We then consider a representation of automata by semigroups of partial transformations. We show that in general transition from automata to semigroups by this representation is not successful either. In fact, the only successful transition presented is the transiton to this semigroup of par…

L-Arabinose adsorption on a Ru cluster

2011

Toward a new hybrid proton conductor: lanthanum niobate layered perovskites as a source of tailorable surfaces

2014

The modification of metal oxide surfaces with organic moieties has been widely studied as a method of preparing organic-inorganic hybrid materials for various applications. Among inorganic oxides, the ion-exchangeable layered perovskites [1], materials composed by perovskite-like slabs and intercalated cations, stimulated authors’ interest in reason of some encouraging electronic and reactive properties. In particular it is well known that the interlayer surface of such materials in their protonated form can be easily functionalized with organic groups (such as alcohols [2-3] or organophosphonic acids [4]) thus allowing the production of stable hybrid materials with new electronic and react…

Food waste and out-of-home-dining: antecedents and consequents of the decision to take away leftovers after dining at restaurants

2021

The rising trend of eating out has contributed noticeably to the increase in food waste generated by the hospitality sector. Therefore, it is essential to understand the drivers of food waste generation and the mitigation intentions of diners. Academic research in the area so far is fragmented, with particularly limited insights regarding the intentions to take away leftovers after dining out. The present study addresses this gap by using the theoretical lens of Behavioural Reasoning Theory (BRT) to examine the antecedents of diners' intentions to take away leftovers and how these are associated with their food over-ordering and leftover reuse routine. The hypothesised associations are test…