Langevin expression

Bimolecular recombination is the recombination of an independently created electron and hole. Bimolecular recombination depends on the product of the electron and hole concentrations and can become important for high-intensity exposures such as those used in digital xerography (Pai, 1995 Jeyadev and Pai, 1996). For low-mobility materials, bimolecular recombination is usually described by a theory due to Langevin (1903)". The Langevin expression for the recombination coefficient is... 

In spherically symmetric systems the induced diamagnetism depends primarily on the mean square radius of the valence electrons as the small contribution from the inner-shell electron core can usually be neglected 1 ). In the case of molecules with symmetry lower than cubic, the quantum mechanical treatment by Van Vleck 23> indicates that another term must be added to the Larmor-Langevin expression in order to calculate correctly diamagnetic susceptibilities. This second term arises because the electrons now suffer a resistance to precession in certain directions due to the deviations of the atomic potential from centric symmetry. The induced moment will now be dependent on the orientation of the molecule in the applied magnetic field and thus in general the diamagnetic susceptibility will not be an isotropic quantity 19-a8>. 

Milligan and McEwan [38] compared their experimental result with that from the Langevin expression, obtaining agreement within their uncertainty range. 

The key quantity in barrier crossing processes in tiiis respect is the barrier curvature Mg which sets the time window for possible influences of the dynamic solvent response. A sharp barrier entails short barrier passage times during which the memory of the solvent environment may be partially maintained. This non-Markov situation may be expressed by a generalized Langevin equation including a time-dependent friction kernel y(t) [ ]... 

The first requirement is the definition of a low-dimensional space of reaction coordinates that still captures the essential dynamics of the processes we consider. Motions in the perpendicular null space should have irrelevant detail and equilibrate fast, preferably on a time scale that is separated from the time scale of the essential motions. Motions in the two spaces are separated much like is done in the Born-Oppenheimer approximation. The average influence of the fast motions on the essential degrees of freedom must be taken into account this concerns (i) correlations with positions expressed in a potential of mean force, (ii) correlations with velocities expressed in frictional terms, and iit) an uncorrelated remainder that can be modeled by stochastic terms. Of course, this scheme is the general idea behind the well-known Langevin and Brownian dynamics. 

The LIN method ( Langevin/Implicit/Normal-Modes ) combines frequent solutions of the linearized equations of motions with anharmonic corrections implemented by implicit integration at a large timestep. Namely, we express the collective position vector of the system as X t) = Xh t) + Z t). (In LN, Z t) is zero). The first part of LIN solves the linearized Langevin equation for the harmonic reference component of the motion, Xh t)- The second part computes the residual component, Z(t), with a large timestep. 

Langevin dynamics simulates the effect of molecular collisions and the resulting dissipation of energy that occur in real solvents, without explicitly including solvent molecules. This is accomplished by adding a random force (to model the effect of collisions) and a frictional force (to model dissipative losses) to each atom at each time step. Mathematically, this is expressed by the Langevin equation of motion (compare to Equation (22) in the previous chapter) ... 

Langevin dynamics a technique to reduce the total number of equations of motion that are solved. Utilize the Coupled Heat Bath, wherein the method models the solvent effect by incorporating a friction constant into the overall expression for the force. 

The ion mobility coefficients pj are calculated similarly. First, the ion mobility of ion j in background neutral i is calculated using the low- -field Langevin mobility expression [219]. Then Blanc s law is used to calculate the ion mobility in... 

The friction coefficient is one of the essential elements in the Langevin description of Brownian motion. The derivation of the Langevin equation from the microscopic equations of motion provides a Green-Kubo expression for this transport coefficient. Its computation entails a number of subtle features. Consider a Brownian (B) particle with mass M in a bath of N solvent molecules with mass m. The generalized Langevin equation for the momentum P of the B... 

The function (a) is known as the Langevin function, after Paul Langevin, French physicist (1872-1946). The magnetic susceptibility of a paramagnetic substance can be expressed as (jim(B/kT). where fim is the magnetic moment, (S the magnetic flux, k the B and T die absolute temperature. 

Note that the term involving a derivative of In / in Eq. (2.331) is identical to the velocity arising from the second term on the RHS of Eq. (2.286) for the transformed force bias in the traditional interpretation of the Langevin equation. The traditional interpretation of the Langevin equation yields a simple tensor transformation rule for the drift coefficient A , but also yields a contribution to Eq. (2.282) for the drift velocity that is driven by the force bias. The kinetic interpretation yields an expression for the drift velocity from which the term involving the force bias is absent, but, correspondingly, yields a nontrivial transformation mle for the overall drift coefficient. 

In either interpretation of the Langevin equation, the form of the required pseudoforce depends on the values of the mixed components of Zpy, and thus on the statistical properties of the hard components of the random forces. The definition of a pseudoforce given here is a generalization of the metric force found by both Fixman [9] and Hinch [10]. An apparent discrepancy between the results of Fixman, who considered the case of unprojected random forces, and those of Hinch, who was able to reproducd Fixman s expression for the pseudoforce only in the case of projected random forces, is traced here to an error in Fixman s use of differential geometry. 

In the traditional interpretation of the Fangevin equation for a constrained system, the overall drift velocity is insensitive to the presence or absence of hard components of the random forces, since these components are instantaneously canceled in the underlying ODF by constraint forces. This insensitivity to the presence of hard forces is obtained, however, only if both the projected divergence of the mobility and the force bias are retained in the expression for the drift velocity. The drift velocity for a kinetic interpretation of a constrained Langevin equation does not contain a force bias, and does depend on statistical properties of the hard random force components. Both Fixman and Hinch nominally considered the traditional interpretation of the Langevin equation for the Cartesian bead coordinates as a limit of an ordinary differential equation. Both authors, however, neglected the possible existence of a bias in the Cartesian random forces. As a result, both obtained a drift velocity that (after correcting the error in Fixman s expression for the pseudoforce) is actually the appropriate expression for a kinetic interpretation. 

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