30 research outputs found
The role of the nature of the noise in the thermal conductance of mechanical systems
Focussing on a paradigmatic small system consisting of two coupled damped
oscillators, we survey the role of the L\'evy-It\^o nature of the noise in the
thermal conductance. For white noises, we prove that the L\'evy-It\^o
composition (Lebesgue measure) of the noise is irrelevant for the thermal
conductance of a non-equilibrium linearly coupled chain, which signals the
independence between mechanical and thermodynamical properties. On the other
hand, for the non-linearly coupled case, the two types of properties mix and
the explicit definition of the noise plays a central role.Comment: 9 pages, 2 figures. To be published in Physical Review
Enhancing surface heat transfer by carbon nanofins: towards an alternative to nanofluids?
Background: Nanofluids are suspensions of nanoparticles and fibers which have recently attracted much attention because of their superior thermal properties. Nevertheless, it was proven that, due to modest dispersion of nanoparticles, such high expectations often remain unmet. In this article, by introducing the notion of nanofin, a possible solution is envisioned, where nanostructures with high aspect-ratio are sparsely attached to a solid surface (to avoid a significant disturbance on the fluid dynamic structures), and act as efficient thermal bridges within the boundary layer. As a result, particles are only needed in a small region of the fluid, while dispersion can be controlled in advance through design and manufacturing processes. Results: Toward the end of implementing the above idea, we focus on single carbon nanotubes to enhance heat transfer between a surface and a fluid in contact with it. First, we investigate the thermal conductivity of the latter nanostructures by means of classical non-equilibrium molecular dynamics simulations. Next, thermal conductance at the interface between a single wall carbon nanotube (nanofin) and water molecules is assessed by means of both steady-state and transient numerical experiments. Conclusions: Numerical evidences suggest a pretty favorable thermal boundary conductance (order of 107 W·m-2·K-1) which makes carbon nanotubes potential candidates for constructing nanofinned surface
Stability mechanisms of a thermophilic laccase probed by molecular dynamics.
Laccases are highly stable, industrially important enzymes capable of oxidizing a large range of substrates. Causes for their stability are, as for other proteins, poorly understood. In this work, multiple-seed molecular dynamics (MD) was applied to a Trametes versicolor laccase in response to variable ionic strengths, temperatures, and glycosylation status. Near-physiological conditions provided excellent agreement with the crystal structure (average RMSD ∼0.92 Å) and residual agreement with experimental B-factors. The persistence of backbone hydrogen bonds was identified as a key descriptor of structural response to environment, whereas solvent-accessibility, radius of gyration, and fluctuations were only locally relevant. Backbone hydrogen bonds decreased systematically with temperature in all simulations (∼9 per 50 K), probing structural changes associated with enthalpy-entropy compensation. Approaching T opt (∼350 K) from 300 K, this change correlated with a beginning "unzipping" of critical β-sheets. 0 M ionic strength triggered partial denucleation of the C-terminal (known experimentally to be sensitive) at 400 K, suggesting a general salt stabilization effect. In contrast, F(-) (but not Cl(-)) specifically impaired secondary structure by formation of strong hydrogen bonds with backbone NH, providing a mechanism for experimentally observed small anion destabilization, potentially remedied by site-directed mutagenesis at critical intrusion sites. N-glycosylation was found to support structural integrity by increasing persistent backbone hydrogen bonds by ∼4 across simulations, mainly via prevention of F(-) intrusion. Hydrogen-bond loss in distinct loop regions and ends of critical β-sheets suggest potential strategies for laboratory optimization of these industrially important enzymes
Unified Homogenization Theory for Magnetoinductive and Electromagnetic Waves in Split Ring Metamaterials
A unified homogenization procedure for split ring metamaterials taking into
account time and spatial dispersion is introduced. The procedure is based on
two coupled systems of equations. The first one comes from an approximation of
the metamaterial as a cubic arrangement of coupled LC circuits, giving the
relation between currents and local magnetic field. The second equation comes
from macroscopic Maxwell equations, and gives the relation between the
macroscopic magnetic field and the average magnetization of the metamaterial.
It is shown that electromagnetic and magnetoinductive waves propagating in the
metamaterial are obtained from this analysis. Therefore, the proposed time and
spatially dispersive permeability accounts for the characterization of the
complete spectrum of waves of the metamaterial. Finally, it is shown that the
proposed theory is in good quantitative and qualitative agreement with full
wave simulations.Comment: 4 pages, 3 figure
Interfacial solvation can explain attraction between like-charged objects in aqueous solution
Over the past few decades, the experimental literature has consistently reported observations of attraction between like-charged colloidal particles and macromolecules in aqueous solution. Examples include nucleic acids and colloidal particles in the bulk solution and under confinement, and biological liquid-liquid phase separation. This observation is at odds with the intuitive expectation of an interparticle repulsion that decays monotonically with distance. Although attraction between like-charged particles can be rationalized theoretically in the strong-coupling regime, e.g., in the presence of multivalent counterions, recurring accounts of long-range attraction in aqueous solution containing monovalent ions at low ionic strength have posed an open conundrum. Here, we show that the behavior of molecular water at an interface-traditionally disregarded in the continuum electrostatics picture-provides a mechanism to explain the attraction between like-charged objects in a broad spectrum of experiments. This basic principle will have important ramifications in the ongoing quest to better understand intermolecular interactions in solution