Phase diagram of soft-core bosons in two dimensions

The low temperature phase diagram of Bose soft disks in two dimensions is studied by numerical simulations. It is shown that a supersolid cluster phase exists, within a range of the model parameters, analogous to that recently observed for a system of aligned dipoles interacting via a softened potential at short distance. These findings indicate that a long-range tail of the interaction is unneeded to obtain such a phase, and that the soft-core repulsive interaction is the minimal model for supersolidity

Structure, rotational dynamics, and superfluidity of small OCS-doped He clusters

The structural and dynamical properties of OCS molecules solvated in Helium clusters are studied using reptation quantum Monte Carlo, for cluster sizes n=3-20 He atoms. Computer simulations allow us to establish a relation between the rotational spectrum of the solvated molecule and the structure of the He solvent, and of both with the onset of superfluidity. Our results agree with a recent spectroscopic study of this system, and provide a more complex and detailed microscopic picture of this system than inferred from experiments.Comment: 4 pages. TeX (requires revtex4) + 3 ps figures (1 color

Cohesive zone model simulation of fatigue debonding along interfaces

n/

Influence of the laser ablation surface pre-treatment over the ageing resistance of metallic adhesively bonded joints

In order to prevent the generation of a potential weakness at the substrate/adhesive interface of adhesively bonded joints, many methods were developed during the decades to pre-treat the substrates surfaces before the deposition of the adhesive. Experimental tests were carried out to simulate the real environmental conditions in which the joints have to work characterizing the mechanical properties of the joints caused by the exposition to high temperature, moisture, presence of chemical agents. The industrial need towards long-scale problem lead to the development of specific accelerated ageing methods able to induce in few weeks the same damage mechanisms within the joints which arise in years during their working life. In this work, different surface laser pre-treatments were studied with a focus on the influence that pre-treatments produce over the variation of the tensile failure load of Single Lap Joints (SLJ), previously subjected to different accelerated ageing cycles. Simple degreasing and grit blasting were also considered as reference treatments. The materials chosen for the manufacturing of the substrates were an aluminium alloy (AA 6082-T6) and a stainless steel (AISI 304). Three different accelerated ageing techniques were tested and compared to each other: (i) a cycle involving the simultaneous presence of high temperature gradient and moisture (method A), (ii) the immersion into an alkaline foam-forming cleanser (method B), and (iii) the immersion into an acid foam-forming cleanser (method C). The results showed that, while the method A did not significantly modify the mechanical strength of the joints, the method B and C resulted detrimental for the mechanical performance of the joints, even if their sensitivity to the tested pre-treatments was different. In particular, for both aluminum and stainless steel joints, it was noticed that the laser pre-treatment was able to reduce the loss of strength produced by the ageing process in comparison with the two reference pre-treatments. However, this result was also dependent of the specific value of energy density used for the laser ablation during the joints pre-treatment

Effects of thickness on the spin susceptibility of the 2D electron gas

Using available quantum Monte Carlo predictions for a strictly 2D electron gas, we have estimated the spin susceptibility of electrons in actual devices taking into account the effect of the finite transverse thickness and finding a very good agreement with experiments. A weak disorder, as found in very clean devices and/or at densities not too low, just brings about a minor enhancement of the susceptibility.Comment: 4 pages, 3 figure

Canonical solution of a system of long-range interacting rotators on a lattice

The canonical partition function of a system of rotators (classical X-Y spins) on a lattice, coupled by terms decaying as the inverse of their distance to the power alpha, is analytically computed. It is also shown how to compute a rescaling function that allows to reduce the model, for any d-dimensional lattice and for any alpha<d, to the mean field (alpha=0) model.Comment: Initially submitted to Physical Review Letters: following referees' Comments it has been transferred to Phys. Rev. E, because of supposed no general interest. Divided into sections, corrections in (5) and (20), reference 5 updated. 8 pages 1 figur

Identification of DNA-binding protein target sequences by physical effective energy functions. Free energy analysis of lambda repressor-DNA complexes

Specific binding of proteins to DNA is one of the most common ways in which gene expression is controlled. Although general rules for the DNA-protein recognition can be derived, the ambiguous and complex nature of this mechanism precludes a simple recognition code, therefore the prediction of DNA target sequences is not straightforward. DNA-protein interactions can be studied using computational methods which can complement the current experimental methods and offer some advantages. In the present work we use physical effective potentials to evaluate the DNA-protein binding affinities for the lambda repressor-DNA complex for which structural and thermodynamic experimental data are available. The effect of conformational sampling by Molecular Dynamics simulations on the computed binding energy is assessed; results show that this effect is in general negative and the reproducibility of the experimental values decreases with the increase of simulation time considered. The free energy of binding for non-specific complexes agrees with earlier theoretical suggestions. Moreover, as a results of these analyses, we propose a protocol for the prediction of DNA-binding target sequences. The possibility of searching regulatory elements within the bacteriophage-lambda genome using this protocol is explored. Our analysis shows good prediction capabilities, even in the absence of any thermodynamic data and information on the naturally recognized sequence. This study supports the conclusion that physics-based methods can offer a completely complementary methodology to sequence-based methods for the identification of DNA-binding protein target sequences.Comment: 35 pages,8 figure

modeling the influence of stress triaxiality on the failure strain of nodular cast iron microstructures

Abstract In this study the fracture behavior of different cast iron microstructures subjected to tensile loading under different triaxialities is simulated by a finite element, 3-D Reference Volume Element approach. Three ferritic/pearlitic heterogeneous matrixes are considered which are representative of the class material grades for strength and ductility. Isotropic ductile and shear damage models are considered for the matrix constituents as concurrent damage mechanisms at the microscale, while graphite nodules are considered as voids acting as stress concentrators. Numerical results confirm experimental findings about local strain distribution and damage accumulation, and reproduce the engineering macroscopic behavior. The stress triaxiality is found to play a strong effect on the failure strain, extending the potentialities of this RVE modeling approach

Isotopic Composition of Fragments in Nuclear Multifragmentation

The isotope yields of fragments, produced in the decay of the quasiprojectile in Au+Au peripheral collisions at 35 MeV/nucleon and those coming from the disassembly of the unique source formed in Xe+Cu central reactions at 30 MeV/nucleon, were measured. We show that the relative yields of neutron-rich isotopes increase with the excitation energy in multifragmentation reaction. In the framework of the statistical multifragmentation model which fairly well reproduces the experimental observables, this behaviour can be explained by increasing N/Z ratio of hot primary fragments, that corresponds to the statistical evolution of the decay mechanism with the excitation energy: from a compound-like decay to complete multifragmentation.Comment: 10 pages. 4 Postscript figures. Submitted to Physical Review C, Rapid Communicatio

Analytical expressions for the charge-charge local-field factor and the exchange-correlation kernel of a two-dimensional electron gas

We present an analytical expression for the static many-body local field factor $G_{+}(q)$ of a homogeneous two-dimensional electron gas, which reproduces Diffusion Monte Carlo data and embodies the exact asymptotic behaviors at both small and large wave number $q$. This allows us to also provide a closed-form expression for the exchange and correlation kernel $K_{xc}(r)$, which represents a key input for density functional studies of inhomogeneous systems.Comment: 5 pages, 3 figure