Interaction potentials for soft and hard ellipsoids

Using results from colloid science we derive interaction potentials for computer simulations of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many respects reminicent of potentials of the Gay-Berne type but have a well-defined microscopic interpretation and no adjustable parameters. Since our potentials require the calculation of similar variables, the modification of existing simulation codes for Gay-Berne potentials is straightforward. The computational performance should remain unaffected.Comment: 8 pages, 4 figure

Depletion-induced biaxial nematic states of boardlike particles

With the aim of investigating the stability conditions of biaxial nematic liquid crystals, we study the effect of adding a non-adsorbing ideal depletant on the phase behavior of colloidal hard boardlike particles. We take into account the presence of the depletant by introducing an effective depletion attraction between a pair of boardlike particles. At fixed depletant fugacity, the stable liquid crystal phase is determined through a mean-field theory with restricted orientations. Interestingly, we predict that for slightly elongated boardlike particles a critical depletant density exists, where the system undergoes a direct transition from an isotropic liquid to a biaxial nematic phase. As a consequence, by tuning the depletant density, an easy experimental control parameter, one can stabilize states of high biaxial nematic order even when these states are unstable for pure systems of boardlike particles

Identification and modelling of displacement fields due to slope movements for the vulnerability analysis of historic buildings

ABSTRACT: Modelling the influence of deep excavations or tunnelling on the serviceability of existing buildings is a well-known geotechnical engineering problem, while the knowledge and scientific contri-butions referable to the assessment of the damage induced by landslide movements on buildings are lack-ing. The present study concerns the analyses of slope movements, in order to be able to define an intensi-ty parameter useful for the definition of fragility curves for historic buildings subjected to slow slope movements. For this purpose, several numerical analyses have been carried out to assess the pattern of displacement in slope under free-field conditions, as the geometric and geotechnical characteristics of the slope vary. These variations are associated with the relative global slope safety factors, which be-come the reference intensity parameter in the analyses. The results have been obtained in terms of verti-cal and horizontal strains in different sections of interest along the slope, which have been related to the relevant safety factor

Investigation on the damages induced by slope movements on historic buildings: the case of San Nicol\uf2 di Capodimonte church in Liguria

ABSTRACT: Italy has more cultural heritage to preserve than any other country on earth and, unfortunately, it is ex-posed to several nature hazards that pose in a serious risk historical buildings located in critical areas. A specific research is underway with the aim of proposing a methodology to analyze the effects and damage induced by slope movements on historic buildings and churches. In this context, some case histories have been selected. The case study proposed in the paper is the Romanic church of S.Nicol\uf2 di Capodimonte located on the Portofino promontory (Liguria), which vulnerability is particularly increased by its loca-tion, as demonstrated by existing crack patterns presently under monitoring. After data collection, several numerical analyses were performed, changing hazard scenarios. The results have been compared with the damage in the church, allowing the interpretation of the crack pattern according to the direction of movement. Finally, an assessment of the damage level has been performed, which shows the critical con-text for the monument under investigation

Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes

<p>Abstract</p> <p>Background</p> <p>The relation betweeen the structure of discotic molecules and columnar properties, a crucial point for the realization of new advanced materials, is still largely unknown. A paradigmatic case is that hexa-alkyl-thio substituted triphenylenes present mesogenic behavior while the corresponding azatriphenylenes, similar in shape and chemical structure, but with a different core charge distribution, do not form any liquid crystalline mesophase. This study is aimed at investigating, with the help of computer simulations techniques, the effects on phase behaviour of changes of the charge distribution in the discotic core.</p> <p>Results</p> <p>We described the shape and the pair, dispersive and electrostatic, interactions of hexa alkyl triphenylenes by uniaxial Gay-Berne discs with embedded point charges. Gay-Berne parameters were deduced by fitting the dispersive energies obtained from an atomistic molecular dynamics simulation of a small sample of hexa-octyl-thio triphenylene molecules in columnar phase, while a genetic algorithm was used to get a minimal set of point charges that properly reproduces the ab anitio electrostatic potential. We performed Monte Carlo simulations of three molecular models: the pure Gay-Berne disc, used as a reference, the Gay-Berne disc with hexa-thio triphenylene point charges, the Gay-Berne disc with hexa-thio azatriphenylene point charges. The phase diagram of the pure model evidences a rich polymorphism, with isotropic, columnar and crystalline phases at low pressure, and the appearance of nematic phase at higher pressure.</p> <p>Conclusion</p> <p>We found that the intermolecular electrostatic potential among the cores is fundamental in sta-bilizing/destabilizing columnar phases; in particular the triphenylene charge distribution stabilizes the columnar structure, while the azatriphenylene distribution suppresses its formation in favor of the nematic phase. We believe the present model could be successfully employed as the basis for coarse-grained level simulations of a wider class of triphenylene derivatives.</p

Effect of Slow-Moving Landslides on Churches in the Liguria Region: a Geotechnical Approach

Protecting cultural heritage from water-soil interaction related threats is a current issue and the prediction of the effects induced on buildings by landslides is very challenging. The main difficulties lie in the lack of detailed information about landside movements as well as in the modeling of soil-structure interaction. This paper study the effects of a particular category of slow-moving landslides, namely active rotational and translational slides with movement rates of the order of some mm/year, on buildings of historical and cultural interestsuch as churches. Three case studies located in the Liguria region (Italy) were analyzed by performing FEM and LEM numerical analyses on sections representative of the slope

Experimental evaluation of the long-term creep deformations of epoxy resin

Abstract Adhesively bonded structures are widely used in many engineering fields for new structures and strengthening of existing ones. The failure of these joints are in some cases caused by long-term deformations. In this paper, an in house made experimental setup for investigating the creep behavior of epoxy resin specimens is presented. The test equipment consists of both conventional apparatus and a non-contact optical technique, Digital Image Correlation (DIC). Several tests were performed at different temperatures and the corresponding results were used for creep master curve construction by means of time-temperature superposition principle (TTSP)

From Frictional to Viscous Behavior: Three Dimensional Imaging and Rheology of Gravitational Suspensions

We probe the three dimensional flow structure and rheology of gravitational (non-density matched) suspensions for a range of driving rates in a split-bottom geometry. We establish that for sufficiently slow flows, the suspension flows as if it were a dry granular medium, and confirm recent theoretical modeling on the rheology of split-bottom flows. For faster driving, the flow behavior is shown to be consistent with the rheological behavior predicted by the recently developed "inertial number approaches for suspension flows.Comment: 5 pages, 4 figures, accepted for Phys. Rev. E. (R

Economic analysis of bedside ultrasonography (US) implementation in an Internal Medicine department

The economic crisis, the growing healthcare demand, and Defensive Medicine wastefulness, strongly recommend the restructuring of the entire medical network. New health technology, such as bedside ultrasonography, might successfully integrate the clinical approach optimizing the use of limited resources, especially in a person-oriented vision of medicine. Bedside ultrasonography is a safe and reliable technique, with worldwide expanding employment in various clinical settings, being considered as "the stethoscope of the 21st century". However, at present, bedside ultrasonography lacks economic analysis. We performed a Cost-Benefit Analysis "ex ante", with a break-even point computing, of bedside ultrasonography implementation in an Internal Medicine department in the mid-term. Number and kind estimation of bedside ultrasonographic studies were obtained by a retrospective study, whose data results were applied to the next 3-year period (foresight study). All 1980 foreseen bedside examinations, with prevailing multiorgan ultrasonographic studies, were considered to calculate direct and indirect costs, while specific and generic revenues were considered only after the first semester. Physician professional training, equipment purchase and working time represented the main fixed and variable cost items. DRG increase/appropriateness, hospitalization stay shortening and reduction of traditional ultrasonography examination requests mainly impacted on calculated revenues. The break-even point, i.e. the volume of activity at which revenues exactly equal total incurred costs, was calculated to be 734 US examinations, corresponding to € 81,998 and the time considered necessary to reach it resulting 406 days. Our economic analysis clearly shows that bedside ultrasonography implementation in clinical daily management of an Internal Medicine department can produce consistent savings, or economic profit according to managerial choices (i.e., considering public or private targets), other than evident medical benefits

Epidermal growth factor receptor (EGFR) downstream signalling pathway in primary colorectal tumours and related metastatic sites: optimising EGFR-targeted treatment options

We analysed the expression of activated (phosphorylated) Akt and MAPK in 98 cases of paired primary colorectal tumours and metastases with the aim to define better the epidermal growth factor receptor (EGFR)-related molecular profile of colorectal cancer as a tool for treatment selection. Among 47 (48%) EGFR-negative primary tumours, 35 cases (74%) were positive for phosphorylated Akt and MAPK. Among 51 (52%) EGFR-positive primary colorectal cancers, 13 (25%) cases were negative for phosphorylated Akt and 15 (29%) were negative for phosphorylated MAPK. In EGFR-negative metastases (56 cases, 55%), phosphorylated Akt was expressed in 41 (73%) and phosphorylated MAPK was expressed in 36 (64%) samples, whereas in EGFR-positive metastases, phosphorylated Akt and MAPK were negative in 14 (31%) and in 10 (22%) cases, respectively. Phosphorylated Akt expression in primary colorectal tumours changed from positive to negative in 16 (16%) paired metastases and from negative to positive in 13 (13%) related metastatic sites. Phosphorylated MAPK expression in primary tumours changed from positive to negative in 13 (13%) paired metastases and from negative to positive in 12 (12%) related metastatic sites. Our findings suggest that phosphorylated Akt and MAPK status in primary tumours does not correlate with Akt and MAPK status in corresponding metastases. EGFR downstream signalling pathway can be overactivated even in the absence of EGFR expression in a considerable proportion of patients