Search results for "quantitative"
showing 10 items of 2409 documents
NOISE EFFECTS IN POLYMER DYNAMICS
2008
The study of the noise induced effects on the dynamics of a chain molecule crossing a potential barrier, in the presence of a metastable state, is presented. A two-dimensional stochastic version of the Rouse model for a flexible polymer has been adopted to mimic the molecular dynamics and to take into account the interactions between adjacent monomers. We obtain a nonmonotonic behavior of the mean first passage time and its standard deviation, of the polymer centre of inertia, with the noise intensity. These findings reveal a noise induced effect on the mean crossing time. The role of the polymer length is also investigated.
Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers: Status and Perspectives
2000
Recent developments that increase the time and distance scales accessible in the simulations of specific polymers are reviewed. Several different techniques are similar in that they replace a model expressed in fully atomistic detail with a coarse-grained model of the same polymer, atomistic → coarse-grained (and beyond!), thereby increasing the time and distance scales accessible within the expenditure of reasonable computational resources. The bridge represented by the right-pointing arrow can be constructed via different procedures, which are reviewed here. The review also considers the status of methods which reverse this arrow, atomistic ← coarse-grained. This “reverse-mapping” recover…
New Development of Monte Carlo Techniques for Studying Bottle-brush Polymers
2011
Due to the complex characteristics of bottle-brush polymers, it became a challenge to develop an efficient algorithm for studying such macromolecules under various solvent conditions or some constraints in the space by using computer simulations. In the limit of a bottle-brush polymer with a rather stiff backbone (straight rigid backbone), we generalize the variant of the biased chain growth algorithm, the pruned-enriched Rosenbluth method, for simulating polymers with complex architecture, from star polymers to bottle-brush polymers, on the simple cubic lattice. With the high statistics of our Monte Carlo results, we check the theoretical predictions of side chain behavior and radial monom…
Noise-induced effects in population dynamics
2002
We investigate the role of noise in the nonlinear relaxation of two ecosystems described by generalized Lotka-Volterra equations in the presence of multiplicative noise. Specifically we study two cases: (i) an ecosystem with two interacting species in the presence of periodic driving; (ii) an ecosystem with a great number of interacting species with random interaction matrix. We analyse the interplay between noise and periodic modulation for case (i) and the role of the noise in the transient dynamics of the ecosystem in the presence of an absorbing barrier in case (ii). We find that the presence of noise is responsible for the generation of temporal oscillations and for the appearance of s…
Transient behavior of a population dynamical model
2005
The transient behavior of an ecosystem with N random interacting species in the presence of a multiplicative noise is analyzed. The multiplicative noise mimics the interaction with the environment. We investigate different asymptotic dynamical regimes and the role of the external noise on the probability distribution of the local field.
Crumpling of a stiff tethered membrane.
2003
first-principles numerical simulation model for crumpling of a stiff tethered membrane is introduced. In our model membranes, wrinkles, ridge formation, ridge collapse, as well as the initiation of stiffness divergence, are observed. The ratio of the amplitude and wave length of the wrinkles, and the scaling exponent of the stiffness divergence, are consistent with both theory and experiment. We observe that close to the stiffness divergence there appears a crossover beyond which the elastic behavior of a tethered membrane becomes similar to that of dry granular media. This suggests that ridge formation in membranes and force-chain network formation in granular packings are different manife…
Monitoring noise-resonant effects in cancer growth influenced by external fluctuations and periodic treatment
2007
In the paper we investigate a mathematical model describing the growth of tumor in the presence of immune response of a host organism. The dynamics of tumor and immune cells is based on the generic Michaelis-Menten kinetics depicting interaction and competition between the tumor and the immune system. The appropriate phenomenological equation modeling cell-mediated immune surveillance against cancer is of the predator-prey form and exhibits bistability within a given choice of the immune response-related parameters. Under the influence of weak external fluctuations, the model may be analyzed in terms of a stochastic differential equation bearing the form of an overdamped Langevin-like dynam…
Variable-Radius Offset Surface Approximation on the GPU
2020
Variable-radius offset surfaces find applications in various fields, such as variable brush strokes in 2D and 3D sketching and geometric modeling tools. In forensic facial reconstruction the skin surface can be inferred from a given skull by computing a variable-radius offset surface of the skull surface. Thereby, the skull is represented as a two-manifold triangle mesh and the facial soft tissue thickness is specified for each vertex of the mesh. We present a method to interactively visualize the wanted skin surface by rendering the variable-radius offset surfaces of all triangles of the skull mesh. We have also developed a special shader program which is able to generate a discretized vol…
On ripples and rafts: Curvature induced nanoscale structures in lipid membranes
2014
We develop an elastic theory that predicts the spontaneous formation of nanoscale structures in lipid bilayers which locally phase separate between two phases with different spontaneous monolayer curvature. The theory rationalizes in a unified manner the observation of a variety of nanoscale structures in lipid membranes: Rippled states in one-component membranes, lipid rafts in multicomponent membranes. Furthermore, we report on recent observations of rippled states and rafts in simulations of a simple coarse-grained model for lipid bilayers, which are compatible with experimental observations and with our elastic model.
Force-dependent folding pathways in mechanically interlocked calixarene dimers via atomistic force quench simulations
2020
Single-molecule force spectroscopy and molecular simulations are well-established techniques to study the mechanical unfolding of supramolecular complexes in various fields of biomolecular physics....