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Jeremy Schofield

Publications and source records attributed to Jeremy Schofield.

3 recordsLinked to original sources

Trapping, reflection, and fragmentation in a classical model of atom-lattice collisions.

A classical one-dimensional model of the collision of an atom of mass M with a cold, semi-infinite harmonic lattice comprised of identical atoms of mass m is considered. In the model, the interactions between the incident atom (adatom) and the lattice are described in terms of a truncated parabolic potential by which the adatom is harmonically bound to the lattice at short distances but evolves freely when its distance is larger than a critical length R(c). The dynamics of the adatom colliding with an infinitely cold lattice is studied as a function of the initial velocity of the adatom. In order to determine whether the colliding atom is bound or reflected from the lattice in the asymptotic time limit, "secondary" collision events in which the incident atom leaves and reenters the interaction zone of the lattice are carefully considered. It is demonstrated that secondary collisions anticipated to be important for heavy adatoms (mu=m/M<1) also occur in the case of light adatoms (mu > or = 1). It is shown that the neglect of secondary collisions leads to an underestimation of the lower energy bound for adatom reflection of roughly 10% for mu close to 1. By generalizing the model to allow for the breaking of lattice bonds, the phenomenon of collision-induced lattice fragmentation is investigated.

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Mode-coupling theory for multiple-point and multiple-time correlation functions.

We present a theoretical framework for higher-order correlation functions involving multiple times and multiple points in a classical, many-body system. Such higher-order correlation functions have attracted much interest recently in the context of various forms of multidimensional spectroscopy, and have found an intriguing application as proposed measures of dynamical heterogeneities in structural glasses. The theoretical formalism is based upon projection operator techniques that are used to isolate the slow time evolution of dynamical variables by expanding the slowly evolving component of arbitrary variables in an infinite, "multilinear" basis composed of the products of slow variables of the system. Using the formalism, a formally exact mode coupling theory is derived for multiple-point and multiple-time correlation functions. The resulting expressions for higher-order correlation functions are made tractable by applying a rigorous perturbation scheme, called the N-ordering method, which is exact for systems with finite correlation lengths in the thermodynamic limit. The theory is contrasted with standard mode coupling theories in which the noise or fluctuating force appearing in the generalized Langevin equation is assumed to be Gaussian, and it is demonstrated that the non-Gaussian nature of the fluctuating forces leads to important contributions to higher-order correlation functions. Finally, the higher-order correlation functions are evaluated analytically for an ideal gas system for which it is shown that the mode coupling theory is exact.

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Multiple-point and multiple-time correlation functions in a hard-sphere fluid.

A recent mode-coupling theory of higher-order correlation functions is tested on a simple hard-sphere fluid system at intermediate densities. Multiple-point and multiple-time correlation functions of the densities of conserved variables are calculated in the hydrodynamic limit and compared to results obtained from event-based molecular dynamics simulations. It is demonstrated that the mode-coupling theory results are in excellent agreement with the simulation results provided that dissipative couplings are included in the vertices appearing in the theory. In contrast, simplified mode-coupling theories in which the densities obey Gaussian statistics neglect important contributions to both the multiple point and multiple-time correlation functions on all time scales.

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