Maximum entropy methods as the bridge between microscopic and macroscopic theory
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Abstract: This paper investigates a function of macroscopic variables known as the singular potential, building on previous work by Ball and Majumdar. The singular potential is a function of the admissible statistical averages of probability distributions on a state space, defined so that it corresponds to the maximum possible entropy given known observed statistical averages, although non-classical entropy-like objective functions will also be considered. First the set of admissible moments must be established, and under the conditions presented in this work the set is open, bounded and convex allowing a description in terms of supporting hyperplanes, which provides estimates on the development of singularities for related probability distributions. Under appropriate conditions it is shown that the singular potential is strictly convex, as differentiable as the microscopic entropy and blows up uniformly as the macroscopic variable tends to the boundary of the set of admissible moments. Applications of the singular potential are then discussed, and particular consideration will be given to certain free-energy functionals typical in mean-field theory, demonstrating an equivalence between certain microscopic and macroscopic free-energy functionals. This allows statements about L^1-local minimisers of Onsager's free energy to be obtained which cannot be given by two-sided variations, and overcomes the need to ensure local minimisers are bounded away from zero and infinity before taking bounded variations. The analysis also permits the definition of a dual order parameter for which Onsager's free energy allows an explicit representation. Also the difficulties in approximating the singular potential by everywhere defined functions, in particular by polynomials, are addressed with examples demonstrating the failure of the Taylor approximation to preserve shape properties of the singular potential.
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Cites work
- A Composite Plate Theory for Arbitrary Laminate Configurations
- A Landau-de Gennes theory of liquid crystal elastomers
- Analysis III. Transl. from the German by Silvio Levy and Matthew Cargo
- Consistency of Moment Systems
- Critical points of the Onsager functional on a sphere
- Direct methods in the calculus of variations
- Dual Methods in Entropy Maximization. Application to Some Problems in Crystallography
- Duality Relationships for Entropy-Like Minimization Problems
- Equilibrium order parameters of nematic liquid crystals in the Landau-de Gennes theory
- Evolution of non-isothermal Landau-de Gennes nematic liquid crystals flows with singular potential
- From microscopic theory to macroscopic theory: a systematic study on modeling for liquid crystals
- scientific article; zbMATH DE number 4076093 (Why is no real title available?)
- scientific article; zbMATH DE number 1266748 (Why is no real title available?)
- scientific article; zbMATH DE number 3219899 (Why is no real title available?)
- scientific article; zbMATH DE number 3398324 (Why is no real title available?)
- Information Theory and Statistical Mechanics
- NP-hardness of deciding convexity of quartic polynomials and related problems
- Partially finite convex programming. I: Quasi relative interiors and duality theory
- Proximité et dualité dans un espace hilbertien
- The mechanics of rubber elasticity
Cited in
(8)- Obtaining the thermodynamic relations for the Gibbs ensemble using the maximum entropy method
- Hölder regularity and convergence for a non-local model of nematic liquid crystals in the large-domain limit
- Oseen-Frank-type theories of ordered media as the \(\Gamma\)-limit of a non-local mean-field free energy
- An analysis of equilibria in dense nematic liquid crystals
- \(\Gamma\)-convergence of a mean-field model of a chiral doped nematic liquid crystal to the Oseen-Frank description of cholesterics
- Classifying local anisotropy formed by rigid molecules: symmetries and tensors
- The explicit density functional and its connection with entropy maximization
- Rigorous biaxial limit of a molecular-theory-based two-tensor hydrodynamics
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