Search results for "statistical [methods]"
showing 10 items of 1664 documents
Mixed Phases, Phase Transitions, Stability of Matter
2016
Phase mixtures and phase transitions are two major themes of thermodynamics. A third one, related to the former, is the stability of macroscopic matter around us. Mixed phases can be analyzed and illustrated in a nice geometric way. Phase transitions are dealt with from the point of view of classical thermodynamics as well as in the framework of models of statistical mechanics.
The Ultimate Fate of Supercooled Liquids
2010
In recent years it has become widely accepted that a dynamical length scale {\xi}_{\alpha} plays an important role in supercooled liquids near the glass transition. We examine the implications of the interplay between the growing {\xi}_{\alpha} and the size of the crystal nucleus, {\xi}_M, which shrinks on cooling. We argue that at low temperatures where {\xi}_{\alpha} > {\xi}_M a new crystallization mechanism emerges enabling rapid development of a large scale web of sparsely connected crystallinity. Though we predict this web percolates the system at too low a temperature to be easily seen in the laboratory, there are noticeable residual effects near the glass transition that can account …
Statistical Thermodynamics of Polymer Quantum Systems
2011
Polymer quantum systems are mechanical models quantized similarly as loop quantum gravity. It is actually in quantizing gravity that the polymer term holds proper as the quantum geometry excitations yield a reminiscent of a polymer material. In such an approach both non-singular cosmological models and a microscopic basis for the entropy of some black holes have arisen. Also important physical questions for these systems involve thermodynamics. With this motivation, in this work, we study the statistical thermody- namics of two one dimensional polymer quantum systems: an ensemble of oscillators that describe a solid and a bunch of non-interacting particles in a box, which thus form an ideal…
Intramolecular phase separation of copolymer "bottle brushes": No sharp phase transition but a tunable length scale
2006
A lattice model for a symmetrical copolymer "bottle brush" molecule, where two types (A,B) of flexible side chains are grafted with one chain end to a rigid backbone, is studied by a variant of the pruned-enriched Rosenbluth method (PERM), allowing for simultaneous growth of all side chains in the Monte Carlo sampling. Choosing repulsive binary interactions between unlike monomers and varying the solvent quality, it is found that phase separation into an $A$-rich part of the cylindrical molecule and a $B$-rich part can occur only locally. Long range order (in the direction of the backbone) does not occur, and hence the transition from the randomly mixed state of the bottle brush to the phas…
Do crossover functions depend on the shape of the interaction profile?
1999
We examine the crossover from classical to non-classical critical behaviour in two-dimensional systems with a one-component order parameter. Since the degree of universality of the corresponding crossover functions is still subject to debate, we try to induce non-universal effects by adding interactions with a second length scale. Although the crossover functions clearly depend on the range of the interactions, they turn out to be remarkably robust against further variation of the interaction profile. In particular, we find that the earlier observed non-monotonic crossover of the effective susceptibility exponent occurs for several qualitatively different shapes of this profile.
Growing length scales in a supercooled liquid close to an interface
2002
We present the results of molecular dynamics computer simulations of a simple glass former close to an interface between the liquid and the frozen amorphous phase of the same material. By investigating F_s(q,z,t), the incoherent intermediate scattering function for particles that have a distance z from the wall, we show that the relaxation dynamics of the particles close to the wall is much slower than the one for particles far away from the wall. For small z the typical relaxation time for F_s(q,z,t) increases like exp(Delta/(z-z_p)), where Delta and z_p are constants. We use the location of the crossover from this law to the bulk behavior to define a first length scale tilde{z}. A differe…
What is a physical measure of spatial inhomogeneity comparable to the mathematical approach?
1999
A linear transformation f(S) of configurational entropy with length scale dependent coefficients as a measure of spatial inhomogeneity is considered. When a final pattern is formed with periodically repeated initial arrangement of point objects the value of the measure is conserved. This property allows for computation of the measure at every length scale. Its remarkable sensitivity to the deviation (per cell) from a possible maximally uniform object distribution for the length scale considered is comparable to behaviour of strictly mathematical measure h introduced by Garncarek et al. in [2]. Computer generated object distributions reveal a correlation between the two measures at a given l…
Classical and ab-initio molecular dynamic simulation of an amorphous silica surface
2001
We present the results of a classical molecular dynamic simulation as well as of an ab initio molecular dynamic simulation of an amorphous silica surface. In the case of the classical simulation we use the potential proposed by van Beest et al. (BKS) whereas the ab initio simulation is done with a Car-Parrinello method (CPMD). We find that the surfaces generated by BKS have a higher concentration of defects (e.g. concentration of two-membered rings) than those generated with CPMD. In addition also the distribution functions of the angles and of the distances are different for the short rings. Hence we conclude that whereas the BKS potential is able to reproduce correctly the surface on the …
Serum leptin and interleukin-6 levels in pediatric patients with HIV.
2003
Recent therapeutic approaches have improved the prognosis of children with HIV. Many new efforts could be involved in their quality of life and therefore could need additional diagnostic strategies. Leptin regulates pubertal development; furthermore a continuous immune stimulus, as in chronic infectious diseases, can enhance leptin's secretion by the action of cytokines such as interleukin (IL)-6. To clarify this role in patients infected with HIV, we assayed leptin and IL-6 and evaluated the influence of HIV severity on its secretion. IL-6 (380.5 +/- 257.6 pg/ml; range: 22-900 pg/ml) showed a significant correlation with leptinemia, HIV-1 RNA, and viremia related to the stage of HIV diseas…
Maximum Likelihood Estimation and non-linear least squares fitting with Levenberg-Marquardt Algorithm implementation in FPGA devices for high resolut…
2012
This work compares two possible solutions to achieve a higher resolution in a hodoscope based on Plastic Scintillating Fibers (PSF) by obtaining the point of maximum incidence of the radioactive beam. The two fitting algorithms proposed have been tested and implemented in Field Programmable Gate Array (FPGA) devices. On one hand, a probabilistic model based on the Maximum Likelihood Estimation (MLE) and on the other hand, non-linear least-squares fit with the Levenberg-Marquardt Algorithm (LMA).