The original perturbative Kramers method (starting from the phase space coordinates) (Kramers, 1940) of determining the energy-controlled-diffusion equation for Newtonian particles with separable and additive Hamiltonians is generalized to yield the energy-controlled diffusion equation and thus the very low damping (VLD) escape rate including spin-transfer torque for classical giant magnetic spins with two degrees of freedom. These have dynamics governed by the magnetic Langevin and Fokker-Planck equations and thus are generally based on non-separable and non-additive Hamiltonians. The derivation of the VLD escape rate directly from the (magnetic) Fokker-Planck equation for the surface distribution of magnetization orientations in the configuration space of the polar and azimuthal angles $(vartheta, varphi)$ is much simpler than those previously used.
We introduce an asymmetric classical Ginzburg-Landau model in a bounded interval, and study its dynamical behavior when perturbed by weak spatiotemporal noise. The Kramers escape rate from a locally stable state is computed as a function of the interval length. An asymptotically sharp second-order phase transition in activation behavior, with corresponding critical behavior of the rate prefactor, occurs at a critical length l_c, similar to what is observed in symmetric models. The weak-noise exit time asymptotics, to both leading and subdominant orders, are analyzed at all interval lengthscales. The divergence of the prefactor as the critical length is approached is discussed in terms of a crossover from non-Arrhenius to Arrhenius behavior as noise intensity decreases. More general models without symmetry are observed to display similar behavior, suggesting that the presence of a ``phase transition in escape behavior is a robust and widespread phenomenon.
We present an alternative derivation of the pair correlation function for simple classical fluids by using a variational approach. That approach involves the conditional probability p(3,..., N /1, 2) of an undefined system of N particles with respect to a given pair (1,2), and the definition of a conditional entropy $sigma$(3,..., N /1, 2). An additivity assumption of $sigma$(3,..., N /1, 2) together with a superposition assumption for p(3 / 1, 2) allows deriving the pair probability p(1,2). We then focus onto the case of simple classical fluids, which leads to an integral, non-linear equation that formally allows computing the pair correlation function g(R). That equation admits the one resulting from the hyper netted chain approximation (and the Percus-Yevick approximation) as a limit case.
We determine the rate of escape from a potential well, and the diffusion coefficient in a periodic potential, of a random walker that moves under the influence of the potential in between successive collisions with the heat bath. In the overdamped limit, both the escape rate and the diffusion coefficient coincide with those of a Langevin particle. Conversely, in the underdamped limit the two dynamics have a different temperature dependence. In particular, at low temperature the random walk has a smaller escape rate, but a larger diffusion coefficient.
First-principles calculations of high-temperature spin dynamics in solids in the context of nuclear magnetic resonance (NMR) is a long-standing problem, whose conclusive solution can significantly advance the applications of NMR as a diagnostic tool for material properties. In this work, we propose a new hybrid quantum-classical method for computing NMR free induction decay(FID) for spin $1/2$ lattices. The method is based on the simulations of a finite cluster of spins $1/2$ coupled to an environment of interacting classical spins via a correlation-preserving scheme. Such simulations are shown to lead to accurate FID predictions for one-, two- and three-dimensional lattices with a broad variety of interactions. The accuracy of these predictions can be efficiently estimated by varying the size of quantum clusters used in the simulations.
A correlation between two noise processes driving the thermally activated particles in a symmetric triple well potential, may cause a symmetry breaking and a difference in relative stability of the two side wells with respect to the middle one. This leads to an asymmetric localization of population and splitting of Kramers rate of escape from the middle well, ensuring a preferential distribution of the products in the course of a parallel reaction.
Declan J. Byrne
,William T. Coffey
,Yuri P. Kalmykov
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(2019)
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"On a simple derivation of the very low damping escape rate for classical spins by modifying the method of Kramers"
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Declan Byrne
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