The physics of open systems for the simulation of complex molecular environments in soft matter

Molecular dynamics (MD) has become one of the most powerful tools of investigation in soft matter. Despite such success, simulations of large molecular environments are mostly run using the approximation of closed systems without the possibility of exchange of matter. Due to the molecular complexity of soft matter systems, an optimal simulation strategy would require the application of concurrent multiscale resolution approaches such that each part of a large system can be considered as an open subsystem at a high resolution embedded in a large coarser reservoir of energy and particles.

Hydrodynamics of contraction-based motility in a compressible active fluid

Cell motility is crucial to biological functions ranging from wound healing to immune response. The physics of cell crawling on a substrate is by now well understood, whilst cell motion in bulk (cell swimming) is far from being completely characterized. We present here a minimal model for pattern formation within a compressible actomyosin gel, in both 2D and 3D, which shows that contractility leads to the emergence of an actomyosin droplet within a low density background. This droplet then becomes self-motile for sufficiently large motor contractility.

Mathematical Modeling of Intracellular ATP Concentration in Vascular Endothelial Cells on Line Patterns

The migration of endothelial cells (ECs) is critical for various processes including vascular wound healing, tumor angiogenesis, and the development of viable endovascular implants. EC migration is regulated by intracellular ATP and recent observations in our laboratory on ECs cultured on line patterns - surfaces where cellular adhesion is limited to 15 m-wide lines that physically confine the cells - have demonstrated very different migration behavior from cells on control unpatterned surfaces.

On the impact of controlled wall roughness shape on the flow of a soft material

We explore the impact of geometrical corrugations on the near-wall flow properties of a soft material driven in a confined rough microchannel. By means of numerical simulations, we perform a quantitative analysis of the relation between the flow rate ? and the wall stress ?w for a number of setups, by changing both the roughness values as well as the roughness shape. Roughness suppresses the flow, with the existence of a characteristic value of ?w at which flow sets in. Just above the onset of flow, we quantitatively analyze the relation between ? and ?w.

Kite attack: reshaping the cube attack for a flexible GPU-based maxterm search

Dinur and Shamir's cube attack has attracted significant attention in the literature. Nevertheless, the lack of implementations achieving effective results casts doubts on its practical relevance. On the theoretical side, promising results have been recently achieved leveraging on division trails. The present paper follows a more practical approach and aims at giving new impetus to this line of research by means of a cipher-independent flexible framework that is able to carry out the cube attack on GPU/CPU clusters.

Edge Computing Perspectives: Architectures, Technologies, and Open Security Issues

Edge and Fog Computing will be increasingly pervasive in the years to come due to the benefits they bring in many specific use-case scenarios over traditional Cloud Computing. Nevertheless, the security concerns Fog and Edge Computing bring in have not been fully considered and addressed so far, especially when considering the underlying technologies (e.g. virtualization) instrumental to reap the benefits of the adoption of the Edge paradigm. In particular, these virtualization technologies (i.e.

Nonlinear-in-spin effects in effective-one-body waveform models of spin-aligned, inspiralling, neutron star binaries

Spinning neutron stars acquire a quadrupole moment due to their own rotation. This quadratic-in-spin, self-spin effect depends on the equation of state (EOS) and affects the orbital motion and rate of inspiral of neutron star binaries. Building upon circularized post-Newtonian results, we incorporate the EOS-dependent self-spin (or monopole-quadrupole) terms in the spin-aligned effective-one-body (EOB) waveform model TEOBResumS at next-to-next-to-leading (NNLO) order, together with other (bilinear, cubic and quartic) nonlinear-in-spin effects (at leading order, LO).