Related papers: Statistical Mechanical Model for a closed loop ple…
Variational inference in probabilistic graphical models aims to approximate fundamental quantities such as marginal distributions and the partition function. Popular approaches are the Bethe approximation, tree-reweighted, and other types…
All liquids are topologically disordered materials; however, the degree of disorder can vary as a result of internal fluctuations in structure and topology. These fluctuations depend on both the composition and temperature of the system.…
In this work, a generalized force-field methodology for the relaxation of large moir\'e heterostructures is proposed. The force-field parameters are optimized to accurately reproduce the structural degrees of freedom of some computationally…
The article reviews recent developments in the theory of fluctuations and correlations of energy levels and eigenfunction amplitudes in diffusive mesoscopic samples. Various spatial geometries are considered, with emphasis on…
We develop an irregular lattice mass-spring-model (MSM) to simulate and study the deformation modes of a thin elastic ribbon as a function of applied end-to-end twist and tension. Our simulations reproduce all reported experimentally…
We generalize the momentum average approximation to study the properties of single polarons in models with boson affected hopping, where the fermion-boson scattering depends explicitly on both the fermion's and the boson's momentum. As a…
We propose a framework for unified analysis of mixed methods for elasticity with weakly symmetric stress. Based on a commuting diagram in the weakly symmetric elasticity complex and extending a previous stability result, stable mixed…
This paper presents a comprehensive computational framework for investigating thermo-elastic fracture in transversely isotropic materials, where classical linear elasticity fails to predict physically realistic behavior near stress…
We provide a general framework of estimates for convergence rates of random discrete model curves approaching Schramm Loewner Evolution (SLE) curves in the lattice size scaling limit. We show that a power-law convergence rate of an…
We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true…
We construct a micromechanical version of an early model for topologically constrained polymers -- a 2D chain amongst point-like uncrossable obstacles -- which allows us to explicitly elucidate the role of topological forces beyond…
Computer simulations are used to characterize the entropic force of one or more polymers tethered to the tip of a hard conical object that interact with a nearby hard flat surface. Pruned-enriched-Rosenbluth-method (PERM) Monte Carlo…
We present a novel phenomenological theory describing how topological constraints in prime-knot ring polymers induce collective (cooperative) modes of motion. In low-complexity knots, chain segments can move quasi-independently. However, as…
For the generalized statistical mechanics based on the Tsallis entropy, a variational perturbation approximation method with the principle of minimal sensitivity is developed by calculating the generalized free energy up to the third order…
Motivated by experimental progress in the growth of heavy transition metal oxides, we theoretically study a class of lattice models of interacting fermions with strong spin-orbit coupling. Focusing on interactions of intermediate strength,…
The mean-field theory of Kinetically-Constrained-Models is developed by considering the Fredrickson-Andersen model on the Bethe lattice. Using certain properties of the dynamics observed in actual numerical experiments we derive asymptotic…
We present a theory for the reverse analysis on the sequence information of a single H/P two-letter random hetero-polymer (RHP) from its force-extension(f-z) curves during quasi static stretching. Upon stretching of a self-assembled RHP, it…
We propose and study a model for the equilibrium statistical mechanics of a pressurised semiflexible polymer ring. The Hamiltonian has a term which couples to the algebraic area of the ring and a term which accounts for bending…
A methodology is presented for bounding all higher moments of the local hydrostatic stress field inside random two phase linear thermoelastic media undergoing macroscopic thermomechanical loading. The method also provides a lower bound on…
The lattice field theory approach to the statistical mechanics of a classical Coulomb gas [R. Coalson and A. Duncan, J. Chem. Phys. 97,5653(1992)] is generalized to include charged polymer chains. Saddle-point analysis is done on the…