Search results for "Elasticity"
showing 10 items of 736 documents
On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking
2012
Incorporating backbone flexibility into protein-ligand docking is still a challenging problem. In protein-protein docking, normal mode analysis (NMA) has become increasingly popular as it can be used to describe the collective motions of a biological system, but the question of whether NMA can also be useful in predicting the conformational changes observed upon small-molecule binding has only been addressed in a few case studies. Here, we describe a large-scale study on the applicability of NMA for protein-ligand docking using 433 apo/holo pairs of the Astex data sets. On the basis of sets of the first normal modes from the apo structure, we first generated for each paired holo structure a…
Monolayer curvature stabilizes nanoscale raft domains in mixed lipid bilayers
2013
According to the lipid raft hypothesis, biological lipid membranes are laterally heterogeneous and filled with nanoscale ordered "raft" domains, which are believed to play an important role for the organization of proteins in membranes. However, the mechanisms stabilizing such small rafts are not clear, and even their existence is sometimes questioned. Here we report the observation of raft-like structures in a coarse-grained molecular model for multicomponent lipid bilayers. On small scales, our membranes demix into a liquid ordered (lo) and a liquid disordered (ld) phase. On large scales, phase separation is suppressed and gives way to a microemulsion-type state that contains nanometer si…
Elastic torsion effects in magnetic nanoparticle diblock-copolymer structures
2011
Magnetic properties of thin composite films, consisting of non-interacting polystyrene-coated γ-Fe(2)O(3) (maghemite) nanoparticles embedded into polystyrene-block-polyisoprene P(S-b-I) diblock-copolymer films are investigated. Different particle concentrations, ranging from 0.7 to 43 wt%, have been used. The magnetization measured as a function of external field and temperature shows typical features of anisotropic superparamagnets including a hysteresis at low temperatures and blocking phenomena. However, the data cannot be reconciled with the unmodified Stoner-Wohlfarth-Néel theory. Applying an appropriate generalization we find evidence for either an elastic torque being exerted on the …
Attendibilità dei modelli per la valutazione dei moduli elastici delle murature suggeriti dalle norme tecniche
2012
In this paper the results of an experimental investigation aimed to the assessment of Young moduli, rigidity moduli and other mechanical properties for different types of masonry are shown. The mechanical characteristics predicted by models proposed by some technical codes were compared against experimental data. This study was motivated by the suggestion of the Masonry Standards Joint Committee's (MSJC) code that, while proposing the use of such models, acknowledges the lack of testing in support of their validation. The experimental investigation has included compressive tests on components (blocks and mortar), diagonal compressive tests and ordinary compressive tests (orthogonally to bed…
Effect of moisture on elastic and viscoelastic properties of fiber reinforced plastics: Retrospective and current trends
2019
Abstract This chapter is a brief review of journal papers and books about moisture and composites with polymer matrix (mostly fiber reinforced composites but not exclusively). Most polymer materials and composites absorb moisture. It is well known from many papers (some of them mentioned in this chapter) over several decades that absorbed moisture essentially affects mechanical and many other important properties of polymers and polymer-based composites. The key question is: How does absorbed moisture affect mechanical properties of composites? Furthermore, the process of moisture absorption in composite structures may occur over many months and even years. More questions then arise: What i…
Effect of various moisture content on the mechanical and viscoelastic properties of giant reed Arundo donax L.
2015
The giant reed Arundo donax L. is an aggressive grass widely diffused throughout warm temperate regions. Thanks to its remarkable features as fast-growing, eco friendly and high specific properties (i.e. high strength/weight and modulus/weight ratios), it is widely used in ancient and traditional buildings, especially in the realization of supports for roof cladding and paneling of walls. A better understanding and a consequent standardization of its properties could make it more suitable for general application in the sustainable building industry. Mechanical and viscoelastic properties of the giant reed were studied as a function of the moisture content. To this scope, various sets of ree…
Interaction of Nanometric Clay Platelets
2008
International audience; The free energy of interaction between two nanometric clay platelets immersed in an electrolyte solution has been calculated using Monte Carlo simulations as well as direct integration of the configurational integral. Each platelet has been modeled as a collection of charged spheres carrying a unit chargethe face of a platelet contains negative charges, and the edge, positive charges. The calculations predict that a configuration of “overlapping coins” is the global free energy minimum at intermediate salt concentrations (10−100 mM). A second weaker minimum, corresponding to the well-known “house of cards” configuration, also appears in this salt interval. At low sal…
Mountain-building under extension
2013
A mechanism is presented which explains how intra-continental rifting can cause large topographic uplift. The effect is sufficient to account for the uplift of rift flanks and the very high and strongly localized uplift of the Rwenzori horst in the Western Branch of the East African Rift System. We propose that the uplift is generated by crustal bending, which is caused by a misfit of the lateral tensile stress between the upper and middle crust. The misfit is a function of different yield mechanisms when the upper crust breaks whereas the middle crust flows. Two independent numerical schemes confirm the suggested uplift mechanism. Both models—a 2 and 2.5 D elastoplastic lattice-particle mo…
Modeling of creep for multiwall carbon nanotube/epoxy nanocomposite
2013
The effect of multiwall carbon nanotubes (MWCNTs) on creep of epoxy matrix was evaluated on the basis of short-term creep-recovery tests performed at different stresses and temperatures. Six different compositions of MWCNT and bisphenol A epoxy resin (0-3.8 wt % of MWCNTs) were investigated. Slight reduction of creep compliance, strain rate, and residual strain were revealed experimentally for nanocomposite comparing to the neat resin. The development of viscoelastic strain for creep stage was described by the use of time-temperature-strain superposition principle with the parameters obtained from the approximation of recovery stage using modified Schapery model. The model accounted for the…
Electromechanics of graphene spirals
2014
Among the most fascinating nanostructure morphologies are spirals, hybrids of somewhat obscure topology and dimensionality with technologically attractive properties. Here, we investigate mechanical and electromechanical properties of graphene spirals upon elongation by using density-functional tight-binding, continuum elasticity theory, and classical force field molecular dynamics. It turns out that electronic properties are governed by interlayer interactions as opposed to strain effects. The structural behavior is governed by van der Waals interaction: in its absence spirals unfold with equidistant layer spacings, ripple formation at spiral perimeter, and steadily increasing axial force;…