Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userEvaluating the Friction of Rotary Joints in Molecular Machines
83
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
A computationally-efficient method for evaluating friction in molecular rotary bearings is presented. This method estimates drag from fluctuations in molecular dynamics simulations via the fluctuation-dissipation theorem. This is effective even for simulation times short compared to a bearings energy damping time and for rotation speeds comparable to or below typical thermal values. We apply this method to two molecular rotary bearings of similar size at 300K: previously studied nested (9,9)/(14,14) double-walled carbon nanotubes and a hypothetical rotary joint consisting of single acetylenic bonds in a rigid diamondoid housing. The acetylenic joint has a rotational frictional drag coefficient of $2 times 10^{-35},mbox{kg m${}^2$/s}$. The friction for the nested nanotubes is 120 times larger, comparable to values reported by previous studies. This fluctuation-based method could evaluate dissipation in a variety of molecular systems with similarly rigid and symmetric bearings.
rate research
Read More
A new model for mechanical computing is demonstrated that requires only two basic parts: links and rotary joints. These basic parts are combined into two main higher level structures: locks and balances, which suffice to create all necessary combinatorial and sequential logic required for a Turing-complete computational system. While working systems have yet to be implemented using this new approach, the mechanical simplicity of the systems described may lend themselves better to, e.g., microfabrication, than previous mechanical computing designs. Additionally, simulations indicate that if molecular-scale implementations could be realized, they would be far more energy-efficient than conventional electronic computers.
We propose a control element for a Josephson spin valve. It is a complex Josephson device containing ferromagnetic (F) layer in the weak-link area consisting of two regions, representing $0$ and $pi$ Josephson junctions, respectively. The valves state is defined by mutual orientations of the F-layer magnetization vector and normal to the interface separating $0$ and $pi$ sections of the device. We consider possible implementation of the control element by introduction of a thin normal metal layer in a part of the device area. By means of theoretical simulations we study properties of the valves structure as well as its operation, revealing such advantages as simplicity of control, high characteristic frequency and good legibility of the basic states.
Columnar jointing is a fracture pattern common in igneous rocks in which cracks self-organize into a roughly hexagonal arrangement, leaving behind an ordered colonnade. We report observations of columnar jointing in a laboratory analog system, desiccated corn starch slurries. Using measurements of moisture density, evaporation rates, and fracture advance rates as evidence, we suggest an advective-diffusive system is responsible for the rough scaling behavior of columnar joints. This theory explains the order of magnitude difference in scales between jointing in lavas and in starches. We investigated the scaling of average columnar cross-sectional areas due to the evaporation rate, the analog of the cooling rate of igneous columnar joints. We measured column areas in experiments where the evaporation rate depended on lamp height and time, in experiments where the evaporation rate was fixed using feedback methods, and in experiments where gelatin was added to vary the rheology of the starch. Our results suggest that the column area at a particular depth is related to both the current conditions, and hysteretically to the geometry of the pattern at previous depths. We argue that there exists a range of stable column scales allowed for any particular evaporation rate.
Employing recent advances in response theory and nonequilibrium ensemble reweighting, we study the dynamic and static correlations that give rise to an electric field-dependent ionic conductivity in electrolyte solutions. We consider solutions modeled with both implicit and explicit solvents, with different dielectric properties, and at multiple concentrations. Implicit solvent models at low concentrations and small dielectric constants exhibit strongly field-dependent conductivities. We compared these results to the Onsager-Wilson theory of the Wien effect, which provides a qualitatively consistent prediction at low concentrations and high static dielectric constants, but is inconsistent away from these regimes. The origin of the discrepancy is found to be increased ion correlations under these conditions. Explicit solvent effects act to suppress nonlinear responses, yielding a weakly field-dependent conductivity over the range of physically realizable field strengths. By decomposing the relevant time correlation functions, we find that the insensitivity of the conductivity to the field results from the persistent frictional forces on the ions from the solvent. Our findings illustrate the utility of nonequilibrium response theory in rationalizing nonlinear transport behavior.
In the present paper we overview our recent results on intrinsic frictional properties of adsorbed monolayers, composed of mobile hard-core particles undergoing continuous exchanges with a vapor phase. Within the framework of a dynamical master equation approach, describing the time evolution of the system, we determine in the most general form the terminal velocity of some biased impure molecule - the tracer particle (TP), constrained to move inside the adsorbed monolayer probing its frictional properties, define the frictional forces as well as the particles density distribution in the monolayer. Results for one-dimensional solid substrates, appropriate to adsorbtion on polymer chains, are compared against the Monte Carlo simulation data, which confirms our analytical predictions.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
