Search results for "canonical"

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…

Constant potential rate theory – general formulation and electrocatalysis

2021

Exercises, Hints and Selected Solutions

2016

1.1. Prove the formula (1.8a) in Sect. 1.3, $$\displaystyle{ \int \mathrm{d}^{n}x\; =\int _{ 0}^{+\infty }\!\!\!\mathrm{d}r\;r^{n-1}\int _{ 0}^{2\pi }\!\!\!\mathrm{d}\phi \prod _{ k=1}^{n-2}\int _{ 0}^{\pi }\!\!\!\mathrm{d}\theta _{ k}\sin ^{k}(\theta _{ k}) }$$ (1.1) by means of induction.

Canonical Adiabatic Theory

2001

In the present chapter we are concerned with systems, the change of which—with the exception of a single degree of freedom—should proceed slowly. (Compare the pertinent remarks about \(\varepsilon\) as slow parameter in Chap. 7) Accordingly, the Hamiltonian reads: $$\displaystyle{ H = H_{0}{\bigl (J,\varepsilon p_{i},\varepsilon q_{i};\varepsilon t\bigr )} +\varepsilon H_{1}{\bigl (J,\theta,\varepsilon p_{i},\varepsilon q_{i};\varepsilon t\bigr )}\;. }$$ (12.1) Here, \((J,\theta )\) designates the “fast” action-angle variables for the unperturbed, solved problem \(H_{0}(\varepsilon = 0),\) and the (p i , q i ) represent the remaining “slow” canonical variables, which do not necessarily have…

On time-resolved approach for phonon assisted interband transitions

2015

Photoexcited dynamics of electrons and holes in two-band dielectric, with special emphasis on back reaction of phonons are developed by combining the quantum electrodynamics and Baker-Campbell-Hausdorff (BCH) canonical transformation. These methods create an explicit time-domain representation of photoinduced processes and contribute in unifying phonon-assisted description of distribution functions of electron and hole quasiparticles for the description of observable effects of photoinduced processes in dielectrics.

Pseudobosons, Riesz bases, and coherent states

2010

In a recent paper, Trifonov suggested a possible explicit model of a PT-symmetric system based on a modification of the canonical commutation relation. Although being rather intriguing, in his treatment many mathematical aspects of the model have just been neglected, making most of the results of that paper purely formal. For this reason we are re-considering the same model and we repeat and extend the same construction paying particular attention to all the subtle mathematical points. From our analysis the crucial role of Riesz bases clearly emerges. We also consider coherent states associated to the model.

Canonical transformation for single-atom resonance fluorescence: The strong-driving-field limit

1980

New solutions of the hamiltonian and diffeomorphism constraints of quantum gravity from a highest weight loop representation

1991

Abstract We introduce a highest weight type representation of the Rovelli-Smolin algebra of loop observables for quantum gravity. In terms of this representation, new solutions of the hamiltonian and diffeomorphism constraints are given. Assuming the locality of the quantum hamiltonian constraint we show that any functional depending on the generalized link class of the disjoint union of arbitrary simple loops is a solution. Finally we argue that this is the general solution in the irreducible representation space.

Thermal density fluctuations in amorphous polymers as revealed by small angle X-ray diffraction

1973

In the case of equilibrium the mean square relative fluctuations of the thermodynamic parameters vanish asymptotically as the number of degrees of freedom approach infinity. There are various observable effects, however, which are related to local fluctuations of the thermodynamic quantities within small parts of the macroscopic system. In particular the scattering of electromagnetic waves by a one-component, one-phase system is due to thermal density fluctuations within small volumes V of the sample. Considering a grand canonical ensemble the phenomenological theory of local fluctuations (1) for a one component system shows that the fluctuation of the number of particles N in the volume V …