相关论文: Thermally activated processes in polymer dynamics
A coarse grained model of a random polypeptide chain, with only discrete torsional degrees of freedom and Hookean springs connecting pairs of hydrophobic residues is shown to display stretched exponential relaxation under Metropolis…
We analyze a (1+1)-dimension directed random walk model of a polymer dipped in a medium constituted by two immiscible solvents separated by a flat interface. The polymer chain is heterogeneous in the sense that a single monomer may…
For a 2-dimensional freely jointed chain with 3 particles and a related model, the average and variance of the kinetic energies of each particle in thermal equilibrium are exactly obtained. The same is done for a related model. The excess…
We investigate the dynamics and thermodynamics of a framework composed of interacting units in which parameters (temperatures and energies) assume distinct values due to the contact with distinct (cold and hot) thermal reservoirs. The…
Geopolymers are an emerging class of binding materials used in sustainable cements, concretes, and composites. However, despite growing research, the lack of standardised processes and stability analyses for formulating activator solutions…
A novel formal equivalence between thermal averages of coherent properties (e.g. conductance), and time averages of a single wavepacket arises for Fermi gasses and certain geometries. In the case of one open channel in a quantum point…
The transport of polymers with folded configurations across membrane pores is investigated theoretically by analyzing simple discrete stochastic models. The translocation dynamics is viewed as a sequence of two events: motion of the folded…
We formulate a predictive theory at the level of forces of activated relaxation in hard sphere fluids and thermal liquids that covers in a unified manner the apparent Arrhenius, crossover and deeply supercooled regimes. The alpha relaxation…
Minute amount of long chain flexible polymer dissolved in a turbulent flow can drastically change flow properties, such as reducing the drag and enhancing mixing. One fundamental riddle is how these polymer additives interact with the…
Amorphous solids yield at a critical value $\Sigma_c$ of the imposed stress $\Sigma$ through a dynamical phase transition. While sharp in athermal systems, the presence of thermal fluctuations leads to the rounding of the transition and…
We study the thermodynamic behavior of the random chain model proposed by Iori, Marinari and Parisi, and how this depends on the actual sequence of interactions along the chain. The properties of randomly chosen sequences are compared to…
We present a scheme to extract information about plumes, a prominent coherent structure in turbulent thermal convection, from simultaneous local velocity and temperature measurements. Using this scheme, we study the temperature dependence…
The HP model of protein folding, where the chain exists in a free medium, is investigated using a parallel Monte Carlo scheme based upon Wang-Landau sampling. Expanding on the work of Wust and Landau by introducing a lesser known replica…
We study Hofstadter bilayers, i.e. coupled hopping models on two-dimensional square lattices in a perpendicular magnetic field. Upon tracing out one of the layers, we find an explicit expression for the resulting entanglement spectrum in…
Universal time-temperature scaling of conductivity spectra in disordered solids has been explained by thermally activated hopping of noninteracting particles over random energy barriers. An open problem is whether the random barrier model…
Inter-scale kinetic energy transfer in turbulent flows is accompanied by very intense and intermittent spatial-temporal fluctuations. Such intermittency is expected to be particularly prominent in premixed flames, where heat release,…
Understanding and computing the entropic forces exerted by polymer chains under confinement is important for many reasons, from research to applications. However, extracting properties related to the free energy, such as the force (or…
The conformational and dynamical properties of active polymers in solution are determined by the nature of the activity, and the behavior of polymers with self-propelled, active Brownian particle-type monomers differs qualitatively from…
We theoretically investigate the kinetics of the folding transition of a single semiflexible polymer. In the folding transition, the growth rate decrease with an increase in the number of monomers in a collapsed domain, suggesting that the…
Evaporation and condensation at a liquid/vapor interface are ubiquitous interphase mass and energy transfer phenomena that are still not well understood. We have carried out large scale molecular dynamics simulations of Lennard-Jones (LJ)…