Search results for "Canon"
showing 10 items of 446 documents
Two-state protein-like folding of a homopolymer chain
2010
Many small proteins fold via a first-order "all-or-none" transition directly from an expanded coil to a compact native state. Here we study an analogous direct freezing transition from an expanded coil to a compact crystallite for a simple flexible homopolymer. Wang-Landau sampling is used to construct the 1D density of states for square-well chains of length 128. Analysis within both the micro-canonical and canonical ensembles shows that, for a chain with sufficiently short-range interactions, the usual polymer collapse transition is preempted by a direct freezing or "folding" transition. A 2D free-energy landscape, built via subsequent multi-canonical sampling, reveals a dominant folding …
Opinia prawna na temat beneficjenta rzeczywistego w przypadku spółki kapitałowej, której jedynym (100%) udziałowcem czy akcjonariuszem jest zakon, bą…
2020
Celem niniejszej opinii prawnej jest udzielenie odpowiedzi na pytanie: Kto jest beneficjentem rzeczywistym w przypadku spółki kapitałowej, której jedynym (100%) udziałowcem czy akcjonariuszem jest zakon bądź jego jednostka organizacyjna (prowincja zakonna, opactwo, klasztor niezależny, dom zakonny)? Przeprowadzone analizy przepisów prawa polskiego i prawa kanonicznego prowadzą do wniosku, że w przypadku spółki kapitałowej, której jedynym (100%) udziałowcem czy akcjonariuszem jest zakon bądź jego jednostka organizacyjna (prowincja zakonna, opactwo, klasztor niezależny, dom zakonny) beneficjentem rzeczywistym jest właściwy wyższy przełożony tego zakonu oraz członkowie jego rady. Osoby te speł…
An operator-like description of love affairs
2010
We adopt the so--called \emph{occupation number representation}, originally used in quantum mechanics and recently considered in the description of stock markets, in the analysis of the dynamics of love relations. We start with a simple model, involving two actors (Alice and Bob): in the linear case we obtain periodic dynamics, whereas in the nonlinear regime either periodic or quasiperiodic solutions are found. Then we extend the model to a love triangle involving Alice, Bob and a third actress, Carla. Interesting features appear, and in particular we find analytical conditions for the linear model of love triangle to have periodic or quasiperiodic solutions. Numerical solutions are exhibi…
Equation of State for Macromolecules of Variable Flexibility in Good Solvents: A Comparison of Techniques for Monte Carlo Simulations of Lattice Mode…
2007
The osmotic equation of state for the athermal bond fluctuation model on the simple cubic lattice is obtained from extensive Monte Carlo simulations. For short macromolecules (chain length N=20) we study the influence of various choices for the chain stiffness on the equation of state. Three techniques are applied and compared in order to critically assess their efficiency and accuracy: the repulsive wall method, the thermodynamic integration method (which rests on the feasibility of simulations in the grand canonical ensemble), and the recently advocated sedimentation equilibrium method, which records the density profile in an external (e.g. gravitation-like) field and infers, via a local …
Removal of Resonances
2001
From the perturbative procedure in the last chapter we have learned that in the proximity of resonances of the unperturbed system, resonant denominators appear in the expression for the adiabatic invariants. We now wish to begin to locally remove such resonances by trying, with the help of a canonical transformation, to go to a coordinate system which rotates with the resonant frequency.
Free fields via canonical transformations of matter-coupled two-dimensional dilaton gravity models
1998
It is shown that the 1+1-dimensional matter-coupled Jackiw-Teitelboim model and the model with an exponential potential can be converted by means of appropriate canonical transformations into a bosonic string theory propagating on a flat target space with an indefinite signature. This makes it possible to consistently quantize these models in the functional Schroedinger representation thus generalizing recent results on CGHS theory.
Elastic constants from microscopic strain fluctuations
1999
Fluctuations of the instantaneous local Lagrangian strain $\epsilon_{ij}(\bf{r},t)$, measured with respect to a static ``reference'' lattice, are used to obtain accurate estimates of the elastic constants of model solids from atomistic computer simulations. The measured strains are systematically coarse- grained by averaging them within subsystems (of size $L_b$) of a system (of total size $L$) in the canonical ensemble. Using a simple finite size scaling theory we predict the behaviour of the fluctuations $$ as a function of $L_b/L$ and extract elastic constants of the system {\em in the thermodynamic limit} at nonzero temperature. Our method is simple to implement, efficient and general e…
STRUCTURAL INSTABILITY IN FERROELECTRICS: SUPERIMPOSING HAMILTONIAN AND STOCHASTIC DYNAMICS
2008
ABSTRACT Structural instability of ferroelectrics distinguished by appearance of coexisting phases and spatial inhomogeneity is at variance with the predictions of statistics in the canonical ensemble. A more refined description includes ergodicity breaking which become apparent at critical temperature when the system resides in metastable state and its development lead to one of possible minimum energy states. In this study the domain growth and switching is reproduced within the framework of Fokker-Planck approach. The mathematical technique is developed for empiric Landau Hamiltonians and improved for application to first principles effective Hamiltonians with supercells and elementary l…
Monte Carlo studies of finite-size effects at first-order transitions
1990
Abstract First-order phase transitions are ubiquitous in nature but their presence is often uncertain because of the effects which finite size has on all transitions. In this article we consider a general treatment of size effects on lattice systems with discrete degrees of freedom and which undergo a first-order transition in the thermodynamic limit. We review recent work involving studies of the distribution functions of the magnetization and energy at a first-order transition in a finite sample of size N connected to a bath of size N′. Two cases: N′ = ∞ and N′ = finite are considered. In the former (canonical ensemble) case, the distributions are approximated by a superposition of Gaussi…