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Indicator function time derivative

How this mass parameter has to be chosen is extensively discussed in [3]. A critical point of view about the fictitious mass parameter and about arguments used for the justification of the CPMD approach is given in [16]. The dot in this Lagrangian indicates the time derivative thus it is apparent that the wavefunction fulfils the same task as the nuclear position variable. The potential is now a functional of the electronic energy plus the constraints which are enforced in order to satisfy quantum mechanics, i.e., the orbitals which are altered during time evolution are supposed to stay orthonormal see second term of (12). The additional constraint is introduced by the standard Lagrange multipliers approach, where the Aij are the Lagrange multipliers and by is the Kronecker delta ... [Pg.115]

Euler-Euler models assume interpenetrating continua to derive averaged continuum equations for both phases. The probability that a phase exists at a certain position at a certain time is given by a phase indicator function, which, for steady-state processes, is equivalent to the volume of fraction of the correspondent phase (volume-of-fluid technique). The phase-averaging process introduces further unknowns into the basic conservation equations their description requires empirical and problem-dependent input (94). In principal, Euler-Euler models are applicable to all multiphase flows. Advantages and disadvantages of both methods are compared, e.g., in Refs. 95 and 96. [Pg.338]

Terms of higher order in the field amplitudes or in the multipole expansion are indicated by. . . The other two tensors in (1) are the electric polarizability ax and the magnetizability The linear response tensors in (1) are molecular properties, amenable to ab initio computations, and the tensor elements are functions of the frequency m of the applied fields. Because of the time derivatives of the fields involved with the mixed electric-magnetic polarizabilities, chiroptical effects vanish as a> goes to zero (however, f has a nonzero static limit). Away from resonances, the OR parameter is given by [32]... [Pg.4]

The function dCdTmml accepts as inputs a variable representing time, a vector that stores the three state variables, and variables that represent the model parameters, as indicated in the comments in the code. (Comments follow the symbol % at the beginning of a given line of code.) The output is the vector f , which lists the time derivatives da/dt, dc/dt, and db/dt. [Pg.55]

Before we can demonstrate the connection between process control and Eq. (A.20), we need to introduce the concept of Lyapunov functions (Schultz and Melsa. 1967). Lyapunov functions wnre originally designed to study the stability of dynamic systems. A Lyapunov function is a positive scalar that depends upon the system s state. In addition, a Lyapunov function has a negative time derivative indicative of the system s drive toward its stable operating point where the Lyapunov function becomes zero. Mathematically we can describe these conditions as... [Pg.380]

Fig. 7-28. Combined residence lifetimes of aerosol particles as a function of size. [Adapted from Jaenicke (1978c, 1980).] Important removal processes, active in various size ranges, are indicated. Coagulation and sedimentation time constants were calculated the time constant for wet removal is the residence time derived from 2,0Bi/210Pb and 222Rn/210Pb ratios (Martell and Moore, 1974). Curves 1 and 2 represent the background aerosol for rwel equal to 12 and 3 days, respectively. Curve 3 represents the continental aerosol with rwel = 6 days. The dashed line is calculated from a simple model for sedimentation equilibrium, as described in Section 7.6.3. Fig. 7-28. Combined residence lifetimes of aerosol particles as a function of size. [Adapted from Jaenicke (1978c, 1980).] Important removal processes, active in various size ranges, are indicated. Coagulation and sedimentation time constants were calculated the time constant for wet removal is the residence time derived from 2,0Bi/210Pb and 222Rn/210Pb ratios (Martell and Moore, 1974). Curves 1 and 2 represent the background aerosol for rwel equal to 12 and 3 days, respectively. Curve 3 represents the continental aerosol with rwel = 6 days. The dashed line is calculated from a simple model for sedimentation equilibrium, as described in Section 7.6.3.
Fig. 18. Percentage of the fast component of HAS-derived nitroxides (%F) as a function of depth in ABS2H for the indicated irradiation times by the Xe arc in the weathering chamber , 70 h Xe , 643 h Xe. 834 h. Data were deduced from digital (nondestructive) sectioning of the 2-D spectral-spatial ESR images, such as those presented in Figure 17 see text. From Ref 60, with permission. Fig. 18. Percentage of the fast component of HAS-derived nitroxides (%F) as a function of depth in ABS2H for the indicated irradiation times by the Xe arc in the weathering chamber , 70 h Xe , 643 h Xe. 834 h. Data were deduced from digital (nondestructive) sectioning of the 2-D spectral-spatial ESR images, such as those presented in Figure 17 see text. From Ref 60, with permission.
Finally, we emphasize that the last equation results from the specific choice of gauge function for the total time derivative added to the Lagrangian. Hence, the choice of the somewhat arbitrary gauge function, which solely fulfills the boundary condition to finally eliminate all terms that are not symmetric in the particle indices, determines the final expression for the interaction energy. In... [Pg.113]

In Eqs. (117) and (118), and are metric functions, and/is the ratio (the distortion function ). The subscript (x,cr) in Eq. (117) indicates that the time derivative is to be evaluated at a fixed point. Kang and Leal [97] have discussed the evaluation of such derivatives. [Pg.243]

As explained in Box 9.2, the forward reaction rate is A f[Cl][H2], in which the square brackets indicate concentrations and kf is the forward rate constant that depends on temperature. Similarly the reverse reaction rate is kr[HCl][H]. The time derivative of is the net rate of change due to forward and reverse reactions. Since the reaction rates are generally expressed as functions of concentrations, it is more convenient to define this net rate per unit volume. Accordingly, we define a reaction velocity as... [Pg.230]

The function of derivative control action is to anticipate the future behavior of the error signal by considering its rate of change. In the past, derivative action was also referred to as rate action, pre-act, or anticipatory control For example, suppose that a reactor temperature increases by 10 °C in a short period of time, say, 3 min. This clearly is a more rapid increase in temperature than a 10 °C rise in 30 min, and it could indicate a potential runaway situation for an exothermic reaction. If the reactor were under manual control, an experienced plant operator would anticipate the consequences and quickly take appropriate corrective action to reduce the temperature. Such a response would not be obtainable from the proportional and integral control modes discussed so far. Note that a proportional controller reacts to a deviation in temperature only, making no distinction as to the time period over which the deviation develops. Integral control action is also ineffective for a sudden deviation in temperature, because the corrective action depends on the duration of the deviation. [Pg.139]

To simplify the notation, explicit dependence of the different functions on time is generally omitted in this section. The time-dependent functions are F(f), f(f), p(f), s(t) and Ps i) (together with their first and second time derivatives) for the extended system, and F(f), r(r), p(f), s t), ps t), y (f) mAT t) (together with their first and second time derivatives) for the real system. The dot overscripts indicate differentiation with respect to the extended-system time i for the extended-system variables, and with respect to the real-system time t for the real-system variables. [Pg.130]

The kinematic tensors designated with indices in brackets [ ] (derived from the displacement functions) are related to the kinematic tensors with indices in parentheses ( ) (derived from the velocity field) as indicated in Figure 6. The kinematic tensors with indices in brackets depend on two times — the current time t and the past time V — and they appear in the integrands of time integrals in integral constitutive equations the kinematic tensors with indices in parentheses depend on the current time t only, and they appear in differential constitutive equations. [Pg.246]

In these equations the primes indicate time derivatives at some time step t+h and the un and unn functions are to be evaluated at time step t where good approximations to the time derivatives are assumed to be known. In this manner the partial derivatives with respect to time can be eliminated from the equation and the solution can be bootstrapped along from one time increment to an additional time increment. This of course assumes that the problem is that of an initial value problem in the time dimension where a solution is known for some initial time at all points in the x-y space. If the problem involves a second time derivative, then the initial first time derivative must be known at all points in the x-y space. Such PDEs involving a boundary value problem in the spatial dimension and an initial value problem in time cover a broad range of practical engineering problems. [Pg.926]

The state of the surface is now best considered in terms of distribution of site energies, each of the minima of the kind indicated in Fig. 1.7 being regarded as an adsorption site. The distribution function is defined as the number of sites for which the interaction potential lies between and (rpo + d o)> various forms of this function have been proposed from time to time. One might expect the form ofto fio derivable from measurements of the change in the heat of adsorption with the amount adsorbed. In practice the situation is complicated by the interaction of the adsorbed molecules with each other to an extent depending on their mean distance of separation, and also by the fact that the exact proportion of the different crystal faces exposed is usually unknown. It is rarely possible, therefore, to formulate the distribution function for a given solid except very approximately. [Pg.20]


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