Search results for "structural"
showing 10 items of 5047 documents
Internal Structure and Dynamics of the Decamer D(ATGCAGTCAG) 2 In Li + -H 2 O Solution: A molecular Dynamics Simulation Study
2003
Molecular dynamics simulation of the decamer d(ATGCAGTCAG) 2 in aqueous solution, electroneutralized by Li + ions has been carried out. Emphasis is on the verification of the equilibrium conditions and the related structural and dynamical properties. Applicability of the kinetic part of Boltzmann's H function as a measure of thermodynamic equilibrium is tested. Overall structural stability has been confirmed by different RMSDs. Conformational and helicoidal parameters have been analyzed statistically and dynamically. Dynamical analysis reveals the existence of dynamical sub-states, which typically appear as abrupt changes from a mean level to another in the value of parameter. In statistica…
[Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4– (M = Mo and W) as building blocks in designing bpym- and cyanide-bridged bimetallic three-dimensional networks…
2002
One-pot reaction between the dinuclear [MnII2(bpym)(H2O)8]4+ complex and the mononuclear [MIV(CN)8]4− unit (M = Mo and W; bpym = 2,2′-bipyrimidine) in aqueous solution yields the novel heterobimetallic complexes of formula {(μ-bpym)[Mn(H2O)]2-(μ-NC)6M(CN)2} with M = Mo (1) and W (2). 1 and 2 are isostructural three-dimensional compounds where the manganese atoms are bridged by bisbidentate bpym and hexakismonodentate octacyanometalate units. Variable-temperature magnetic susceptibility data of 1 and 2 show the occurrence of a significant antiferromagnetic coupling between the high spin manganese(II) ions through bridging bpym (Jca. −1.1 cm−1, the exchange Hamiltonian being defined as H = −J…
Arbitrarily shaped plates analysis via Line Element-Less Method (LEM)
2018
Abstract An innovative procedure is introduced for the analysis of arbitrarily shaped thin plates with various boundary conditions and under generic transverse loading conditions. Framed into Line Element-less Method, a truly meshfree method, this novel approach yields the solution in terms of the deflection function in a straightforward manner, without resorting to any discretization, neither in the domain nor on the boundary. Specifically, expressing the deflection function through a series expansion in terms of harmonic polynomials, it is shown that the proposed method requires only the evaluation of line integrals along the boundary parametric equation. Further, minimization of appropri…
Branch-Price-and-Cut for the Soft-Clustered Capacitated Arc-Routing Problem
2021
The soft-clustered capacitated arc-routing problem (SoftCluCARP) is a variant of the classical capacitated arc-routing problem. The only additional constraint is that the set of required edges, that is, the streets to be serviced, is partitioned into clusters, and feasible routes must respect the soft-cluster constraint, that is, all required edges of the same cluster must be served by the same vehicle. In this article, we design an effective branch-price-and-cut algorithm for the exact solution of the SoftCluCARP. Its new components are a metaheuristic and branch-and-cut-based solvers for the solution of the column-generation subproblem, which is a profitable rural clustered postman tour …
The Windy clustered prize-collecting arc-routing problem
2011
This paper introduces the windy clustered prize-collecting arc-routing problem. It is an arc-routing problem where each demand edge is associated with a profit that is collected once if the edge is serviced, independent of the number of times the edge is traversed. It is further required that if a demand edge is serviced, then all the demand edges of its component are also serviced. A mathematical programming formulation is given and some polyhedral results including several facet-defining and valid inequalities are presented. The separation problem for the different families of inequalities is studied. Numerical results from computational experiments are analyzed. © 2011 INFORMS.
The indigenous settlement of Monte Iato (western Sicily): an ethnoarchaeometric approach for outlining local Archaic ceramic productions
2021
AbstractAn ethnoarchaeometric approach has been followed to identify the textural and compositional characteristics of the ceramic pastes produced in ancient Iaitas/Ietas, an indigenous site located in western Sicily on Monte Iato, a few tens of kilometres from Palermo. This approach was primarily motivated by the lack of discovered Archaic kilns or production sites/workshops and the inability to identify reference groups. Raw clays were sampled in the territory of San Cipirello and San Giuseppe Iato (today’s municipalities both sited on the northern slopes of Monte Iato), together with representative historic tiles and bricks locally produced until fairly recently. Grain-size analysis and …
The production cycle of lime-based plasters in the Late Roman settlement of Scauri, on the island of Pantelleria, Italy
2018
This paper deals with the archaeometric study of lime-based plasters found in the archaeological settlement of Scauri, located in the homonymous bay in the south-western part of Pantelleria Island. Since 1999, archaeological surveys have led to the recovery of the huge remains of a Late Roman settlement dating back to the fourth-fifth century AD. It is well known that the island of Pantelleria is entirely composed of volcanic rocks. Accordingly, the production of quicklime required calcareous rocks to be imported. Also, the selection criteria of the sandy aggregate are relevant and of interest to this study, to evaluate the achieved technological level. Within this context, a mineralogical …
A later fifth-millennium cal BC tumulus at Hofheim-Kapellenberg, Germany
2020
In the nineteenth century, two Neolithic axe-heads were reported from the Michelsberg enclosure system at Kapellenberg. The recent identification of an unusually large tumulus, from which the axe-heads were almost certainly once recovered, reveals that socio-political hierarchisation, linked to the emergence of high-ranking elites in Brittany and the Paris Basin during the fifth millennium cal BC, may have extended into Central Europe.
Temple-complex post-dates tsunami deposits found in the ancient harbour basin of Ostia (Rome, Italy)
2015
Abstract Detailed geophysical and geoarchaeological investigations carried out in Ostia, ancient harbour of Rome, revealed two different generations of harbour basins and also proved the repeated impact of high-energy wave events on the study area. West of Ostia, at the southern bank of the Tiber, a lagoonal harbour existed from the 4th and 2nd cent. BC but was affected by strong siltation. At the same site, a river harbour was subsequently established from the 1st cent. AD onwards. Fluvial deposits of medieval age finally document Tiber river bank erosion affecting the abandoned site. Within the sedimentary record, distinct high-energy event deposits were found and seem to be related to ts…
OSL dating of Middle Weichselian age shallow basin sediments in Western Latvia, Eastern Baltic
2012
Abstract This paper presents the results of the first attempt to date the Quaternary sediments of western Latvia in the southeast Baltic region, using luminescence. The analyses have been carried out on sandy sediments of the Jurkalne Formation that are located between upper and lower Scandinavian sourced tills. Previous publications on the origin of the Quaternary sediments in the region are reviewed and it is found that there are a wide range of explanations for their processes of formation and their age of formation. It is concluded that although the sandy sediments were deposited in freshwater environment although they contain both marine and freshwater fauna and flora, a property that …