Computer modeling, of dynamic

Although progress in continuum and computer modeling of dynamic fracture and fragmentation is encouraging, it is apparent that further advancements are needed. Many of the emerging physical and statistical concepts, some of which have been discussed in the present chapter, are not yet included in these... 

Finally the concepts of fragment size, and fracture number or frequency statistics, need to be included within the framework of continuum and computational modeling of dynamic fracture and fragmentation. This challenging area of research has the potential for addressing many needs related to dynamic fragmentation. 

Traenkle, F., Zeitz, M., Ginkel, M., Gilles, E.D. PROMOT A modeling tool for chemical processes. Mathematical and Computer Modelling of Dynamical Systems 6, 283-307 (2000)... 

Ryu, C. H. (2002). Computer modeling of dynamic ground motion due to explosive blasting and review of some modeling problems. J. Japan Explosives Society, 63(5), 217-222. 

Borutzky, W. (2014). Bond graph model-based system mode identification and mode-dependent fault thresholds for hybrid systems. Mathematical and Computer Modelling of Dynamical Systems, 20(06), 585-616. 

Baaiu A, Couenne F, Jallut C, Lefevre L, Legorrec Y, Maschke B (2009) Port-based modelling of mass transport phenomena. Mathematical and Computer Modelling of Dynamical Systems 15(3) 233-254... 

F. Couenne, C. Jallut B. Maschke, P. Breedveld, M. Tayakout Mathematical and Computer Modelling of Dynamical Systems 12 (2-3) (2006) 159-174. 

K. Binder. Monte Carlo and molecular dynamics simulations of amorphous polymers. In J. Bicerano, ed. Computational Modeling of Polymers. New York Marcel Dekker, 1992, pp. 221-295. 

Dutt, G. R., Shaffer, M. J., and Moore, W. J. (1972). Computer simulation model of dynamic bio-physicochemical processes in soils. Ariz. Agric. Exp. Stn., Tech. Bull. 196. 

E. D., Muller, G., Computational modeling of the dynamics of the MAP kinase cascade activated by surface and internalized EGF receptors, Nat. Biotech. 2002, 20 370-375. 

Braun, H.A., Huber, M.T., Anthes, N., Voigt, K., Neiman, A., Pei, X., and Moss, F. Noise-induced impulse pattern modifications at different dynamical period-one situations in a computer model of temperature encoding. Biosystems 2001, 62 99-112. 

V. A. Polukhin, V. F. Ukhov, and M. M. Dzugutov, Computer Modeling of the Dynamics and Structure of Liquid Metals, Nauka, Moscow, 1981. 

Recently attempts have been made to set up computer models of salt solutions (Kistenmacher et al., 1974 Fromm et al., 1975 Watts et al., 1974). A molecular dynamic study has been reported for a system comprising 198 H20 + 9Li+Cl- (Heinzinger and Vogel, 1974). The results show good agreement with experiment. For example, a water molecule hydrating Li+ rotates faster than water molecules in bulk (Hertz et al., 1971). 

III. Structure-based computational models of ligand-protein binding dynamics and molecular docking... 

D. C. Rapaport, Hardware Issues in Molecular Dynamics Algorithm Design, in Computer Modelling of Fluids Polymers and Solids, C. R. A. Cat-low et al., eds., Kluwer Academic Publishers Group, 1990, 249-267. 

The computer modeling of the dynamical behavior of a solid or a liquid by following the motion of every atom and molecule is known as a molecular dynamics simulation. Such a simulation requires the specification of the positions and velocities of every molecule, which is not loiown a priori. In practice care is taken to start from an equilibrium distribution and slowly equilibrate to nonequilibrium forces, such as... 

A. K. Cheetham and J. D. Gale, in Computer Modeling of Structure and Reactivity of Zeolites, C. R. A. Catlow, Ed., Academic Press, London, 1992, pp. 63-78. Computer Simulation of the Structure, Thermochemistry and Dynamics of Adsorbed Molecules in Zeolites and Related Catalysts. 

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