Corrector

Haider and colleagues prove the concept of the TEM spherical aberration corrector... 

All these observations tend to favour the Verlet algoritlnn in one fonn or another, and we look closely at this in the following sections. For historical reasons only, we mention the more general class of predictor-corrector methods which have been optimized for classical mechanics simulations, [40, 4T] further details are available elsewhere [7, 42, 43]. 

Thus we find that the choice of quaternion variables introduces barriers to efficient symplectic-reversible discretization, typically forcing us to use some off-the-shelf explicit numerical integrator for general systems such as a Runge-Kutta or predictor-corrector method. 

There are many variants of the predictor-corrector theme of these, we will only mention the algorithm used by Rahman in the first molecular dynamics simulations with continuous potentials [Rahman 1964]. In this method, the first step is to predict new positions as follows ... 

This series expansion is truncated at a specified order and is probably most easily implemei ted within a predictor-corrector type of algorithm, where the higher-order terms are ahead computed. This method has been applied to relatively simple systems such as molecuh fluids [Streett et al. 1978] and alkane chain liquids [Swindoll and Haile 1984]. 

Our discussion so far has considered the use of SHAKE with the Verlet algorithm Versions have also been derived for other integration schemes, such as the leap-froj algorithm, the predictor-corrector methods and the velocity Verlet algorithm. In the cast of the velocity Verlet algorithm, the method has been named RATTLE [Anderson 1983]... 

Pure, low temperature organic Hquid viscosities can be estimated by a group contribution method (7) and a method combining aspects of group contribution and coimectivity indexes theories (222). Caution is recommended in the use of these methods because the calculated absolute errors are as high as 100% for individual species in a 150-compound, 10-family test set (223). A new method based on a second-order fit of Benson-type groups with numerous steric correctors is suggested as an alternative. Lower errors are claimed for the same test set. 

The activity coefficient (y) based corrector is calculated using any applicable activity correlating equation such as the van Laar (slightly polar) or Wilson (more polar) equations. The average absolute error is 20 percent. 

Repeat steps 2 through 6 with a corrector step for the same time increment. Repeat again for any further predictor and/or predictor-corrector steps that may be advisable. Distefano (ibid.) discusses and compares a number of suitable explicit methods. 

If the stress is at the primary time step loeation and the veloeities are at the middle of the time step, then the resulting finite-difference equation is second-order accurate in space and time for uniform time steps and elements. If all quantities are at the primary time step, then a more complicated predictor-corrector procedure must be used to achieve second-order accuracy. A typical predictor-corrector scheme predicts the stresses at the middle of the time step and uses them to calculate the divergence of the stress tensor. 

MD runs for polymers typically exceed the stability Umits of a micro-canonical simulation, so using the fluctuation-dissipation theorem one can define a canonical ensemble and stabilize the runs. For the noise term one can use equally distributed random numbers which have the mean value and the second moment required by Eq. (13). In most cases the equations of motion are then solved using a third- or fifth-order predictor-corrector or Verlet s algorithms. 

One way to do this is afforded by the predictor-corrector method. We ignore terms higher than those shown explicitly, and calculate the predicted terms starting with bP(t). However, this procedure will not give the correct trajectory because we have not included the force law. This is done at the corrector step. We calculate from the new position rP the force at time t + St and hence the correct acceleration a (t -f 5t). This can be compared with the predicted acceleration aP(f -I- St) to estimate the size of the error in the prediction step... 

This error, and the results from the predictor step, are fed into the corrector step to give... 

These values are now better approximations to the true position, velocity and so on, hence the generic term predictor-corrector for the solution of such differential equations. Values of the constants cq through C3 are available in the literature. 

A combination of open- and closed-type formulas is referred to as the predictor-corrector method. First the open equation (the predictor) is used to estimate a value for y,, this value is then inserted into the right side of the corrector equation (the closed formula) and iterated to improve the accuracy of y. The predictor-corrector sets may be the low-order modified (open) and improved (closed) Euler equations, the Adams open and closed formulas, or the Milne method, which gives the following system... 

The Hamming method [12] applies a predictor y , then a modifier y which provides a correction for the estimate of error in the predictor and corrector, and then iterates the corrector y" as desired. The procedure is... 

Meters are accurate within close limits as legislation demands. However, gas is metered on a volume basis rather than a mass basis and is thus subject to variation with temperature and pressure. The Imperial Standard Conditions are 60°F, 30inHg, saturated (15.56°C, 1913.7405 mbar, saturated). Gas Tariff sales are not normally corrected, but sales on a contract basis are. Correction may be for pressure only on a fixed factor basis based on Boyle s Law or, for larger loads, over 190,000 therms per annum for both temperature and pressure using electronic (formerly mechanical) correctors. For high pressures, the compressibility factor Z may also be relevant. The current generation of correctors corrects for pressure on an absolute basis taking into account barometric pressure. 

The OWL optical design is shown in Fig. 1. It is based on a spherical and flat folding secondary mirrors, with a four-element corrector providing for the compensation of spherical and field aberrations as well as advanced active optics and dual-conjugate adaptive optics. A complete discussion would exceed the scope of this report we shall however mention a few key arguments supporting this solution ... 

Low sensitivity to lateral decenters (hence to gravity, wind and thermal excitations), the alignment of the primary and secondary mirrors being quite inconsequential, and stiffness at the location of the critical subsystem (the corrector) being fairly high ... 

Tolerances at the level of the corrector are comparable to those applying to the VLT 8-m telescopes, and easier to achieve in view of the increased design space. It shall be noted that in view of the size, and inevitable exposure to wind, sensitivity to wind excitation is of crucial importance. 

For IR applications demanding a very small field of view only, this disadvantage could be mitigated by exchanging the corrector for a simpler one, thereby limiting the number of hot surfaces to 4, perhaps 3. 

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