We study a linear chain of oscillators with inhomogeneity in their interactions with phonon bath. In a previous work on the Markovian master equation of the system, we investigated a model in which the difference in the site-phonon coupling between adjacent oscillators is the same throughout the chain. Here we look into another model in which the oscillators are coupled to the phonon bath with alternating strength at successive sites. Whereas in the first model all exciton modes are connected, in the second model they are coupled in pairs that are not connected to each other. Owing to this special structure in the coupling, the excitation numbers of different modes can be solved exactly in the steady state. In the first model, the minima of the excitation profile in the site basis occur at the edges of the chain, whereas in the second model the maxima occur at the edges. The energy transfer efficiency in the first model is affected by the source power whereas in the second model the efficiency is independent of it. A distinct feature in the second model is that a sink placed at the middle of the chain is able to distinguish between chains with even and odd number of sites. The energy transfer efficiency in a chain with even number of sites is higher than a chain with odd number of sites. Therefore, it reveals the discrete nature of the chain. In the limit of very long chain when the discreteness of the chain is less evident, the efficiencies approach each other.
We study the magnetic properties of $S=1/2$ antiferromagnetic Heisenberg chains with inhomogeneity of interaction. Using a quantum Monte Carlo method and an exact diagonalization method, we study bond-impurity effect in the uniform $S=1/2$ chain and also in the bond-alternating chain. Here `bond impurity' means a bond with strength different from those in the bulk or a defect in the alternating order. Local magnetic structures induced by bond impurities are investigated both in the ground state and at finite temperatures, calculating the local magnetization, the local susceptibility and the lo…
Driving a homogeneous system across a quantum phase transition in a quench-time $τ_Q$ generates excitations on wavelengths longer than the Kibble-Zurek (KZ) length $\hatξ\proptoτ_Q^{ν/(1+zν)}$ within the KZ time window $\hat t\proptoτ_Q^{zν/(1+zν)}$, where $z$ and $ν$ are the critical exponents. Quenches designed with local time-dependent inhomogeneity can introduce a gap in the spectrum. For a variety of setups with short-range interactions, they have been shown to suppress excitations if the spatial velocity of the inhomogenous front is below the characteristic KZ velocity $\hat v \propto \h…
We investigate the effect of introducing a boundary inhomogeneity in the transfer matrix of an integrable open quantum spin chain. We find that it is possible to construct a local Hamiltonian, and to have quantum group symmetry. The boundary inhomogeneity has a profound effect on the Bethe ansatz solution.
We consider the reduced dynamics of a molecular chain weakly coupled to a phonon bath. With a small and constant inhomogeneity in the coupling, the excitation relaxation rates are obtained in closed form. They are dominated by transitions between exciton modes lying next to each other in the energy spectrum. The rates are quadratic in the number of sites in a long chain. Consequently, the evolution of site occupation numbers exhibits longer coherence lifetime for short chains only. When external source and sink are added, the rate equations of exciton occupation numbers are similar to those ob…
We study atom-atom correlations and relative number squeezing in the dissociation of a Bose-Einstein condensate (BEC) of molecular dimers made of either bosonic or fermionic atom pairs. Our treatment addresses the role of the spatial inhomogeneity of the molecular BEC on the strength of correlations in the short time limit. We obtain explicit analytic results for the density-density correlation functions in momentum space, and show that the correlation widths and the degree of relative number squeezing are determined merely by the shape of the molecular condensate.
We consider a model for thermal contact through a diathermal interface between two macroscopic bodies at different temperatures: an Ising spin chain with nearest neighbor interactions is endowed with a Glauber dynamics with different temperatures and kinetic parameters on alternating sites. The inhomogeneity of the kinetic parameter is a novelty with respect to the model of Ref.[1] and we exhibit its influence upon the stationary non equilibrium values of the two-spin correlations at any distance. By mapping to the dynamics of spin domain walls and using free fermion techniques, we determine t…
We examine dynamic structure factors of spin-1/2 chains with nearest-neighbor interactions of XX and Dzyaloshinskii-Moriya type, and with periodic and random changes in the sign of these interactions. This special kind of inhomogeneity can be eliminated from the Hamiltonian by suitable transformation of the spin variables. As a result, the dynamic structure factors of periodic or random chains can be computed from those of the uniform chains. Using the exact analytical and precise numerical results available for the uniform systems we illustrate the effects of regular alternation or random dis…
Transport process in molecular chain in nonequilibrium stationary state is theoretically investigated. The molecule is interacting at its both ends with thermal baths which has different temperatures, while no dissipation mechanism is contained inside the molecular chain. We have first obtained the nonequilibrium stationary state outside the Hilbert space in terms of the complex spectral representation of Liouvillian. The nonequilibrium stationary state is obtained as an eigenstate of the Liouvillian which is constructed through the collision invariant of the kinetic equation. The eigenstate o…
With the XXZ spin chains as examples, we prove two theorems: (1) the functional relations derived from the off-diagonal Bethe Ansatz scheme are the sufficient and necessary conditions to characterize the complete spectrum of the corresponding transfer matrix; (2) each eigenvalue of the transfer matrix can be parameterized by a minimal inhomogeneous T-Q relation. These statements hold for both with and without inhomogeneity. The proof can be generalized to other finite-dimensional quantum integrable models.
In this work, we investigate thermodynamic properties of the one-dimensional (1D) spin-crossover molecular chain being a subject of a constant external pressure. Effective compressible degenerate Ising model is used as a theoretical framework. Using transfer matrix formalism analytic results for the low spin -- high spin crossover were obtained. We derive the exact expressions for the fraction of molecules in the high spin state, correlation function and heat capacity. We provide analysis of parameters region where the spin crossover takes place and demonstrate how pressure changes location of…
Molecular process of polymer collapse was reproduced by isothermal molecular dynamics simulation. The initial polymer chains were obtained by mean of random walks in continuum space. Two potential models were considered to represent short range interactions between monomers. Various structural properties during the collapse of the polymer were measured and different collapse pathways were observed. For low temperatures, we have obtained a spontaneous collapse to helical states.
We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is analyzed by mode-coupling theory and compared with molecular dynamics. We find very good, quantitative agreement for the damping of modes between a full mode-coupling theory and molecular dynamics result, and a simplified mode-coupling theory gives qualitative description of the damping. The theories predict generically that thermal conductance diverges as N^{1/3…
The slow dynamics (10^-6 s - 10^4 s) of the magnetization in the paramagnetic phase, predicted by Glauber for 1d Ising ferromagnets, has been observed with ac susceptibility and SQUID magnetometry measurements in a molecular chain comprising alternating Co{2+} spins and organic radical spins strongly antiferromagnetically coupled. An Arrhenius behavior with activation energy Delta=152 K has been observed for ten decades of relaxation time and found to be consistent with the Glauber model. We have extended this model to take into account the ferrimagnetic nature of the chain as well as its heli…
A study of the one-dimensional molecular chain (MC) with two single-particle degenerate states is presented. We establish connection of the MC with the Ising model with phononic interactions and investigate properties of the model using a transfer matrix method. The transfer matrix method offers a promising pathway for simulating such materials properties. The role of degeneracy of states and phononic interaction being made explicit. We analyze regimes of the system and parameters of the occurring crossover. Here, we present exact results for the magnetization per spin, the correlation functio…
The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain containing two interacting electrons coupled to a bosonic bath. For this generalization of the ubiquitous spin-boson model, the intricate interdependence of correlations and dissipation leads to non-Boltzmann thermal equilibrium distributions for many-body states. By mapping the multi-particle dynamics onto an isomorphic single particle motion this phenomen…
A new recursion formula is presented for the correlation functions of the integrable spin 1/2 XXX chain with inhomogeneity. It relates the correlators involving n consecutive lattice sites to those with n-1 and n-2 sites. In a series of papers by V. Korepin and two of the present authors, it was discovered that the correlators have a certain specific structure as functions of the inhomogeneity parameters. Our formula allows for a direct proof of this structure, as well as an exact description of the rational functions which has been left undetermined in the previous works.
We consider the dynamics of the simplest chain of large number $N$ of particles. We find, in the double scaling limit, the partition of the parameter space onto two domains, where for one domain the supremum (over all time interval $(0,\infty)$ of relative extension tenda to $1$ as $N\to\infty$. and for the other this supremum tends to infinity as $N\to\infty$.
We discuss anomalous relaxation processes in Davydov one-dimensional chain molecule that consists of an exciton and an acoustic phonon field as a thermal reservoir in the chain. We derive a kinetic equation for the exciton using the complex spectral representation of the Liouville-von Neumann operator. Due to the one-dimensionality, the momentum space separates into infinite sets of disjoint irreducible subspaces dynamically independent of one another. Hence, momentum relaxation occurs only within each subspace toward the Maxwell distribution. We obtain a hydrodynamic mode with transport coeff…
We consider the eigenvalue problem of a kinetic collision operator for a quantum Brownian particle interacting with a one-dimensional chain. The quantum nature of the system gives rise to a difference operator. For the one-dimensional case, the momentum space separates into infinite sets of disjoint subspaces dynamically independent of one another. The eigenvalue problem of the collision operator is solved with the continued fraction method. The spectrum is non-negative, possesses an accumulation point and exhibits a band structure. We also construct the eigenvectors of the collision operator …
This work introduces a methodology for the statistical mechanical analysis of polymeric chains under tension controlled by optical or magnetic tweezers at thermal equilibrium with an embedding fluid medium. The response of single bonds between monomers or of entire groups of monomers to tension is governed by the activation of statistically interacting particles representing quanta of extension or contraction. This method of analysis is capable of describing thermal unbending of the freely jointed or wormlike chain kind, linear or nonlinear contour elasticity, and structural transformations in…
