Search results for "Monte Carlo method."
showing 10 items of 1217 documents
Optimization of the straightness measurements on rough surfaces by Monte Carlo simulation
2013
Summary The straightness error of a coordinate measuring machine (CMM) is determined by measuring a rule standard. Thanks to a reversal technique, the straightness uncertainty of the CMM is theoretically dissociated from the straightness uncertainty of the rule. However, stochastic variations of the whole measurement system involve uncertainties of the CMM straightness error. To quantify these uncertainties, different sources of stochastic variations are listed with their associated probability density functions. Then Monte Carlo methods are performed first to quantify error and secondly to optimize measurement protocol. It is shown that a 5-measurement distance from 0.1 mm to each measurem…
Monte Carlo dosimetric study of Best Industries and Alpha Omega Ir-192 brachytherapy seeds
2004
Ir-192 seeds are widely used in the USA for low dose rate interstitial brachytherapy. There are two commercially available models: those manufactured by Best Industries filtered with stainless steel, and those manufactured by Alpha-Omega seeds filtered with Pt. Newly developed 3D correction algorithms for brachytherapy are based on dosimetry data obtained on unbounded phantom size, allowing corrections for heterogeneities and actual tissue boundaries. Published dosimetric datasets for both seeds have been obtained under bounded conditions. The aim of the present study is to obtain dosimetric datasets for these seeds under full scatter conditions. The Monte Carlo GEANT4 code has been used to…
On the Glass Transition in Polymer Films: Recent Monte Carlo Results
1998
AbstractThis paper reports results of a Monte Carlo simulation for a simplified lattice modelof a supercooled polymer film. The film geometry is realized by two opposite hard walls.The distance between the walls is varied. The chains exhibit a strong tendency to orientparallel to the walls and are flattened when being very close to them. This deviation of thepolymer structure with respect to the bulk is accompanied by an acceleration of local densityfluctuations. On the other hand, the diffusion coefficient of a chain remains unaffected.
Bulk and interfacial properties in colloid-polymer mixtures
2005
Large-scale Monte Carlo simulations of a phase-separating colloid-polymer mixture are performed and compared to recent experiments. The approach is based on effective interaction potentials in which the central monomers of self-avoiding polymer chains are used as effective coordinates. By incorporating polymer nonideality together with soft colloid-polymer repulsion, the predicted binodal is in excellent agreement with recent experiments. In addition, the interfacial tension as well as the capillary length are in quantitative agreement with experimental results obtained at a number of points in the phase-coexistence region, without the use of any fit parameters.
Momentum-dependent interfacial tension in polymer solutions
2002
A model for the interface between a concentrated and a very dilute polymer solution is studied by Monte Carlo simulations at temperatures below the Theta temperature (in bad solvent conditions). The wave-number–dependent interfacial tension γ(q) is extracted from an analysis of the capillary wave amplitudes. It is shown that γ(q) decreases monotonically with q2, while no evidence is found for the predicted increase γ(q) ∝ κq2 with a positive bending rigidity κ of the interface at large q. Consequences for the interpretations of simulations and experiments on interfacial widths are briefly discussed.
‘Intrinsic’ profiles and capillary waves at interfaces between coexisting phases in polymer blends
2001
Abstract Lateral fluctuations in the local position of the center of the interface between coexisting phases in unmixed polymer blends lead to a broadening of interfacial widths; comparing self-consistent field predictions for the ‘intrinsic’ profile to simulations (or experiments), this ‘capillary wave’ broadening needs consideration. This problem has been studied by extensive Monte Carlo simulations of the bond fluctuation model for symmetrical polymer mixtures, both for free interfaces (between bulk phases) and for confined interfaces (in thin films between parallel walls). While the capillary wave predictions at large length scales are confirmed, the extraction of the ‘intrinsic’ profil…
Interfaces between coexisting phases of polymer mixtures: Comparison between Monte Carlo simulations and theoretical predictions
1997
Large scale Monte Carlo investigations of the interface between A-rich and B-rich phases of symmetric binary (AB) polymer mixtures are presented, using the bond fluctuation model of flexible chains with NA=NB=N=32 effective monomers. The temperature range studied, 0.144<T/Tc0.759, includes both the strong and the weak segregation limit. Interfacial free energy and interfacial structure are studied, and compared to predictions based on the selfconsistent field theory. Also the broadening of the interfacial width due to capillary waves is considered, and finite size effects due to the confinement of interfaces in thin films of polymer blends are discussed.
Monte Carlo simulation of the glass transition in polymeric systems: Recent developments
1995
Abstract The bond fluctuation model on square and s.c. lattices is used as a coarse-grained model for flexible polymers in dense melts. Using an energy that favours long bonds, a conflict is created between the tendency of the bonds to stretch at low temperatures and packing constraints. This simple concept of ‘geometric frustration’ leads to glass transition. Both static and dynamic properties of this model are investigated by Monte Carlo simulations, paying attention to effects found by varying the cooling rate and the chain length N of the polymers. In two and three spatial dimensions an effective (cooling-rate dependent) glass transition temperature T g can be defined, where the system …
Adsorption-induced polymer translocation through a nanopore: a Monte Carlo investigation
2005
Abstract We study the translocation of a coarse-grained flexible polymer through a nanopore in a membrane induced by its adsorption on the trans side of the membrane. Dramatic differences in the threading behavior are observed if the adhesion to the membrane wall, e w , is below or above the adsorption threshold e c r . For e w e c r (weak adsorption) the activation barrier for translocation is at c cis 0 ≈ N / 2 (in terms of the fraction of chain c cis = N cis / N before the pore), independent of chain length N. For e w > e c r this barrier is at a constant (vanishing) number of passed trans monomers for all N. The mean time of chain passage τ trans ∝ c cis 1.3 when c cis c cis 0 . It scal…
Surface anchoring on liquid crystalline polymer brushes
2002
We present a Monte Carlo study of the surface anchoring of a nematic fluid on swollen layers of grafted liquid crystalline chain molecules. The liquid crystalline particles are modeled by soft repulsive ellipsoids, and the chains are made of the same particles. An appropriately modified version of the configurational bias Monte Carlo algorithm is introduced, which removes and redistributes chain bonds rather than whole monomers. With this algorithm, a wide range of grafting densities could be studied. The substrate is chosen such that it favors a planar orientation (parallel to the surface). Depending on the grafting density, we find three anchoring regimes: planar, tilted, and perpendicula…