Vibrational spectroscopy of the multianion mineral gartrellite from the Anticline Deposit, Ashburton Downs, Western Australia

The multianion mineral gartrellite PbCu(Fe3+,Cu)(AsO4)2(OH,H2O)2 has been studied by a combination of Raman and infrared spectroscopy. The molecular structure of gartrellite is assessed. Gartrellite is one of the tsumcorite mineral group based upon arsenate and/or sulphate anions. Crystal symmetry is either triclinic in the case of an ordered occupation of two cationic sites, triclinic due to ordering of the H bonds in the case of species with two water molecules per formula unit, or monoclinic in the other cases. Characteristic Raman spectra of the mineral gartrellite enable the assignment of the bands to specific vibrational modes. These spectra are related to the structure of gartrellite. The position of the hydroxyl and water stretching vibrations are related to the strength of the hydrogen bond formed between the OH unit and the AsO3/4 anion.

Large-scale analysis of formations in soccer

Due to the demand for better and deeper analysis in sports, organizations (both professional teams and broadcasters) are looking to use spatiotemporal data in the form of player tracking information to obtain an advantage over their competitors. However, due to the large volume of data, its unstructured nature, and lack of associated team activity labels (e.g. strategic/tactical), effective and efficient strategies to deal with such data have yet to be deployed. A bottleneck restricting such solutions is the lack of a suitable representation (i.e. ordering of players) which is immune to the potentially infinite number of possible permutations of player orderings, in addition to the high dimensionality of temporal signal (e.g. a game of soccer last for 90 mins). Leveraging a recent method which utilizes a "role-representation", as well as a feature reduction strategy that uses a spatiotemporal bilinear basis model to form a compact spatiotemporal representation. Using this representation, we find the most likely formation patterns of a team associated with match events across nearly 14 hours of continuous player and ball tracking data in soccer. Additionally, we show that we can accurately segment a match into distinct game phases and detect highlights. (i.e. shots, corners, free-kicks, etc) completely automatically using a decision-tree formulation.

A hybrid constructive heuristic and simulated annealing for railway crew scheduling

Railway crew scheduling problem is the process of allocating train services to the crew duties based on the published train timetable while satisfying operational and contractual requirements. The problem is restricted by many constraints and it belongs to the class of NP-hard. In this paper, we develop a mathematical model for railway crew scheduling with the aim of minimising the number of crew duties by reducing idle transition times. Duties are generated by arranging scheduled trips over a set of duties and sequentially ordering the set of trips within each of duties. The optimisation model includes the time period of relief opportunities within which a train crew can be relieved at any relief point. Existing models and algorithms usually only consider relieving a crew at the beginning of the interval of relief opportunities which may be impractical. This model involves a large number of decision variables and constraints, and therefore a hybrid constructive heuristic with the simulated annealing search algorithm is applied to yield an optimal or near-optimal schedule. The performance of the proposed algorithms is evaluated by applying computational experiments on randomly generated test instances. The results show that the proposed approaches obtain near-optimal solutions in a reasonable computational time for large-sized problems.

Architecture as media and the war of presence

This essay is a critique of the discourse concerned with a so coiled Crisis of Representation. It examines the role of representational media (text and drawing) in the formation of the notion of an architectural ‘work’ and argues that there is no necessary privilege to any ordering of modes of representation rather particular orderings uncover specific agendas.

Source code watermarking based on function dependency oriented sequencing

In the current market, extensive software development is taking place and the software industry is thriving. Major software giants have stated source code theft as a major threat to revenues. By inserting an identity-establishing watermark in the source code, a company can prove it's ownership over the source code. In this paper, we propose a watermarking scheme for C/C++ source codes by exploiting the language restrictions. If a function calls another function, the latter needs to be defined in the code before the former, unless one uses function pre-declarations. We embed the watermark in the code by imposing an ordering on the mutually independent functions by introducing bogus dependency. Removal of dependency by the attacker to erase the watermark requires extensive manual intervention thereby making the attack infeasible. The scheme is also secure against subtractive and additive attacks. Using our watermarking scheme, an n-bit watermark can be embedded in a program having n independent functions. The scheme is implemented on several sample codes and performance changes are analyzed.

On separation of concurrency and conflicts in acyclic process models

Recently, a new approach for structuring acyclic process models has been introduced. The algorithm is based on a transformation between the Refined Process Structure Tree (RPST) of a control flow graph and the Modular Decomposition Tree (MDT) of ordering relations. In this paper, an extension of the algorithm is presented that allows to partially structure process models in the case when a process model cannot be structured completely. We distinguish four different types of unstructuredness of process models and show that only two are possible in practice. For one of these two types of unstructuredness an algorithm is proposed that returns the maximally structured representation of a process model.

Weak conformance of process models with respect to data objects

Process models specify behavioral aspects by describing ordering constraints between tasks which must be accomplished to achieve envisioned goals. Tasks usually exchange information by means of data objects, i.e., by writing information to and reading information from data objects. A data object can be characterized by its states and allowed state transitions. In this paper, we propose a notion which checks conformance of a process model with respect to data objects that its tasks access. This new notion can be used to tell whether in every execution of a process model each time a task needs to access a data object in a particular state, it is ensured that the data object is in the expected state or can reach the expected state and, hence, the process model can achieve its goals.

On application of structural decomposition for process model abstraction

Real world business process models may consist of hundreds of elements and have sophisticated structure. Although there are tasks where such models are valuable and appreciated, in general complexity has a negative influence on model comprehension and analysis. Thus, means for managing the complexity of process models are needed. One approach is abstraction of business process models-creation of a process model which preserves the main features of the initial elaborate process model, but leaves out insignificant details. In this paper we study the structural aspects of process model abstraction and introduce an abstraction approach based on process structure trees (PST). The developed approach assures that the abstracted process model preserves the ordering constraints of the initial model. It surpasses pattern-based process model abstraction approaches, allowing to handle graph-structured process models of arbitrary structure. We also provide an evaluation of the proposed approach.

Flexible process graph : a prologue

Businesses document their operational processes as process models. The common practice is to represent process models as directed graphs. The nodes of a process graph represent activities and directed edges constitute activity ordering constraints. A flexible process graph modeling approach proposes to generalize process graph structure to a hypergraph. Obtained process structure aims at formalization of ad-hoc process control flow. In this paper we discuss aspects relevant to concurrent execution of process activities in a collaborative manner organized as a flexible process graph. We provide a real world flexible process scenario to illustrate the approach.

Plasma-driven self-organization of Ni nanodot arrays on Si(100)

The results of the combined experimental and numerical study suggest that nonequilibrium plasma-driven self-organization leads to better size and positional uniformity of nickel nanodot arrays on a Si(100) surface compared with neutral gas-based processes under similar conditions. This phenomenon is explained by introducing the absorption zone patterns, whose areas relative to the small nanodot sizes become larger when the surface is charged. Our results suggest that strongly nonequilibrium and higher-complexity plasma systems can be used to improve ordering and size uniformity in nanodot arrays of various materials, a common and seemingly irresolvable problem in self-organized systems of small nanoparticles. © 2008 American Institute of Physics.

Deterministic control of plasma-assembled self-organized Ge/Si quantum dot arrays

Self-assembly of size-uniform and spatially ordered quantum dot (QD) arrays is one of the major challenges in the development of the new generation of semiconducting nanoelectronic and photonic devices. Assembly of Ge QD (in the ∼5-20 nm size range) arrays from randomly generated position and size-nonuniform nanodot patterns on plasma-exposed Si (100) surfaces is studied using hybrid multiscale numerical simulations. It is shown, by properly manipulating the incoming ion/neutral flux from the plasma and the surface temperature, the uniformity of the nanodot size within the array can be improved by 34%-53%, with the best improvement achieved at low surface temperatures and high external incoming fluxes, which are intrinsic to plasma-aided processes. Using a plasma-based process also leads to an improvement (∼22% at 700 K surface temperature and 0.1 MLs incoming flux from the plasma) of the spatial order of a randomly sampled nanodot ensemble, which self-organizes to position the dots equidistantly to their neighbors within the array. Remarkable improvements in QD ordering and size uniformity can be achieved at high growth rates (a few nms) and a surface temperature as low as 600 K, which broadens the range of suitable substrates to temperature-sensitive ultrathin nanofilms and polymers. The results of this study are generic, can also be applied to nonplasma-based techniques, and as such contributes to the development of deterministic strategies of nanoassembly of self-ordered arrays of size-uniform QDs, in the size range where nanodot ordering cannot be achieved by presently available pattern delineation techniques.

Low-temperature assembly of ordered carbon nanotip arrays in low-frequency, high-density inductively coupled plasmas

High-density inductively coupled plasma (ICP)-assisted self-assembly of the ordered arrays of various carbon nanostructures (NS) for the electron field emission applications is reported. Carbon-based nano-particles, nanotips, and pyramid-like structures, with the controllable shape, ordering, and areal density are grown under remarkably low process temperatures (260-350 °C) and pressures (below 0.1 Torr), on the same Ni-based catalyst layers, in a DC bias-controlled floating temperature regime. A high degree of positional and directional ordering, elevated sp2 content, and a well-structured graphitic morphology are achieved without the use of pre-patterned or externally heated substrates.

Synthesis, characterization and comparative study of thiophene- benzothiadiazole based donor-acceptor-donor (D-A-D) materials

The synthesis and characterization of solution processable donor-acceptor-donor (D-A-D) based conjugated molecules with varying ratios of thiophene as donor (D) and benzothiadiazole as acceptor (A) are reported. Optical, electrochemical, thermal, morphological and organic thin film transistor (OTFT) device properties of these materials were investigated. The thermal and polarized optical microscope analysis indicates that the materials having higher D/A ratios exhibit both liquid crystalline (LC) and OTFT behavior. AFM analysis of the materials having D/A ratios of 3 and 4 (3T1B and 4T1B) show well ordered structures, resulting from strong π-π interchain interactions compared to the other molecules in this study. A XRD patterns for 3T1B and 4T1B thin films also shows high crystalline ordering. Solution processed OTFTs of 3T1B and 4T1B have shown un-optimized charge carrier mobilities of 2 × 10 -2 cm 2 V -1 s -1 and 4 × 10 -3 cm 2 V -1 s -1, respectively on bare Si/SiO 2 substrate.

A benzothiadiazole end capped donor–acceptor based small molecule for organic electronics

A benzothiadiazole end-capped small molecule 3,6-bis(5-(benzo[c][1,2,5] thiadiazol-4-yl)thiophen-2-yl)-2,5-bis(2-butyloctyl)pyrrolo[3,4-c]pyrrole-1, 4(2H,5H)-dione (BO-DPP-BTZ) using a fused aromatic moiety DPP (at the centre) is designed and synthesized. BO-DPP-BTZ is a donor-acceptor-donor (D-A-D) structure which possesses a band gap of 1.6 eV and exhibits a strong solid state ordering inferred from ∼120 nm red shift of the absorption maxima from solution to thin film. Field-effect transistors utilizing a spin coated thin film of BO-DPP-BTZ as an active layer exhibited a hole mobility of 0.06 cm 2 V-1 s-1. Solution-processed bulk heterojunction organic photovoltaics employing a blend of BO-DPP-BTZ and [70]PCBM demonstrated a power conversion efficiency of 0.9%.

Experimental evidence for competitive N–O and O–C bond homolysis in gasphase alkoxyamines

The extensive use of alkoxyamines in controlled radical polymerisation and polymer stabilisation is based on rapid cycling between the alkoxyamine (R1R2NO–R3) and a stable nitroxyl radical (R1R2NO•) via homolysis of the labile O–C bond. Competing homolysis of the alkoxyamine N–O bond has been predicted to occur for some substituents leading to production of aminyl and alkoxyl radicals. This intrinsic competition between the O–C and N–O bond homolysis processes has to this point been difficult to probe experimentally. Herein we examine the effect of local molecular structure on the competition between N–O and O–C bond cleavage in the gas phase by variable energy tandem mass spectrometry in a triple quadrupole mass spectrometer. A suite of cyclic alkoxyamines with remote carboxylic acid moieties (HOOC–R1R2NO–R3) were synthesised and subjected to negative ion electrospray ionisation to yield [M – H]− anions where the charge is remote from the alkoxyamine moiety. Collision-induced dissociation of these anions yield product ions resulting, almost exclusively, from homolysis of O–C and/or N–O bonds. The relative efficacy of N–O and O–C bond homolysis was examined for alkoxyamines incorporating different R3 substituents by varying the potential difference applied to the collision cell, and comparing dissociation thresholds of each product ion channel. For most R3 substituents, product ions from homolysis of the O–C bond are observed and product ions resulting from cleavage of the N–O bond are minor or absent. A limited number of examples were encountered however, where N–O homolysis is a competitive dissociation pathway because the O–C bond is stabilised by adjacent heteroatom(s) (e.g., R3 = CH2F). The dissociation threshold energies were compared for different alkoxyamine substituents (R3) and the relative ordering of these experimentally determined energies is shown to correlate with the bond dissociation free energies, calculated by ab initio methods. Understanding the structure-dependent relationship between these rival processes will assist in the design and selection of alkoxyamine motifs that selectively promote the desirable O–C homolysis pathway.