Explicit dynamics procedure

Keywords— Endodontically Treated Tooth, Damage Mechanics, Brittle Cracking, Explicit Dynamics Procedure, Nonlinear Finite Element Analysis. 

The explicit dynamics procedure was operated as the most suitable process for damage analysis of quasi-brittle material. The reaction force on the load cell was computed for both linear and nonlinear mechanical behaviour of whole structure, to compare stiffness reduction from the prefect linear condition. 

Equilibrium data correlations can be extremely complex, especially when related to non-ideal multicomponent mixtures, and in order to handle such real life complex simulations, a commercial dynamic simulator with access to a physical property data-base often becomes essential. The approach in this text, is based, however, on the basic concepts of ideal behaviour, as expressed by Henry s law for gas absorption, the use of constant relative volatility values for distillation and constant distribution coeficients for solvent extraction. These have the advantage that they normally enable an explicit method of solution and avoid the more cumbersome iterative types of procedure, which would otherwise be required. Simulation examples in which more complex forms of equilibria are employed are STEAM and BUBBLE. 

Monomer concentrations Ma a=, ...,m) in a reaction system have no time to alter during the period of formation of every macromolecule so that the propagation of any copolymer chain occurs under fixed external conditions. This permits one to calculate the statistical characteristics of the products of copolymerization under specified values Ma and then to average all these instantaneous characteristics with allowance for the drift of monomer concentrations during the synthesis. Such a two-stage procedure of calculation, where first statistical problems are solved before dealing with dynamic ones, is exclusively predetermined by the very specificity of free-radical copolymerization and does not depend on the kinetic model chosen. The latter gives the explicit dependencies of the instantaneous statistical characteristics on monomers concentrations and the rate constants of the elementary reactions. 

Beyond the clusters, to microscopically model a reaction in solution, we need to include a very big number of solvent molecules in the system to represent the bulk. The problem stems from the fact that it is computationally impossible, with our current capabilities, to locate the transition state structure of the reaction on the complete quantum mechanical potential energy hypersurface, if all the degrees of freedom are explicitly included. Moreover, the effect of thermal statistical averaging should be incorporated. Then, classical mechanical computer simulation techniques (Monte Carlo or Molecular Dynamics) appear to be the most suitable procedures to attack the above problems. In short, and applied to the computer simulation of chemical reactions in solution, the Monte Carlo [18-21] technique is a numerical method in the frame of the classical Statistical Mechanics, which allows to generate a set of system configurations... 

This Chapter has outlined several different approaches to the computational determination of solution properties. Two of these address solute-solvent interactions directly, either treating the effects of individual solvent molecules upon the solute explicitly or by means of a reaction field due to a continuum model of the solvent. The other procedures establish correlations between properties of interest and certain features of the solute and/or solvent molecules. There are empirical elements in all of these methods, even the seemingly more rigorous ones, such as the parameters in the molecular dynamics/Monte Carlo intermolecular potentials, Eqs. (16) and (17), or in the continuum model s Gcavitation and Gvdw, Eqs. (40) and (41), etc. 

In this respect, another insufficiency of Lodge s treatment is more serious, viz. the lack of specification of the relaxation times, which occur in his equations. In this connection, it is hoped that the present paper can contribute to a proper valuation of the ideas of Bueche (13), Ferry (14), and Peticolas (13). These authors adapted the dilute solution theory of Rouse (16) by introducing effective parameters, viz. an effective friction factor or an effective friction coefficient. The advantage of such a treatment is evident The set of relaxation times, explicitly given for the normal modes of motion of separate molecules in dilute solution, is also used for concentrated systems after the application of some modification. Experimental evidence for the validity of this procedure can, in principle, be obtained by comparing dynamic measurements, as obtained on dilute and concentrated systems. In the present report, flow birefringence measurements are used for the same purpose. 

G. Marckmann, E. Verron, and B. Peseux, Finite Element Analysis of Blow Molding and Thermoforming Using a Dynamic Explicit Procedure, Polym. Eng. Sci., 41,426 139 (2001). 

Finite difference — Finite difference is an iterative numerical procedure that has been used to quantify current-voltage-time relationships for numerous electrochemical systems whose analyses have resisted analytic solution [i]. There are two generic classes of finite difference analysis 1. explicit finite difference (EFD), where a new set of parameters at t + At is computed based on the known values of the relevant parameters at t and 2. implicit finite difference (IFD), where a new set of parameters at t + At is computed based on the known values of the relevant parameters at t and on the yet-to-be-determined values at t + At. EFD is simple to encode and adequate for the solution of many problems of interest. IFD is somewhat more complicated to encode but the resulting codes are dramatically more efficient and more accurate - IFD is particularly applicable to the solution of stiff problems which involve a wide dynamic range of space scales and/or time scales. 

---