Surface area of a macromolecule, accessible to a solvent, is defined and calculated, taking into account the probabilistic character of atomic positions due to the high frequency atomic vibrations. For a given a space...
Surface area of a macromolecule, accessible to a solvent, is defined and calculated, taking into account the probabilistic character of atomic positions due to the high frequency atomic vibrations. For a given a space point, we consider a probability of the event, that this point is covered by a macromolecule. A volume is defined as a space integral of this probability field. The envelope, accessible to a solvent molecule center, becomes fuzzy, existing only in a probabilistic sense. The accessible area is defined as a derivative of the envelope volume with respect to the probe size. The accessible area thus defined has the advantage of being an analytic function of atomic coordinates and allows for an arbitrary (not necessarily spherical) probe geometry. Space integration is performed on a rectangular grid, using a third order Runge-Kutta integration scheme and the analytical subgrid averaging.
The detection and unfolding of degenerate local bifurcations provides one of very few generally applicable analytical tools for studying complex dynamics in systems of arbitrarily high dimension. Using the Brusselator...
The detection and unfolding of degenerate local bifurcations provides one of very few generally applicable analytical tools for studying complex dynamics in systems of arbitrarily high dimension. Using the Brusselator partial differential equations (PDEs) (Prigogine and Lefever, 1968) as motivation and main example, we critically review this method. We extend and correct previous calculations, presenting explicit formulae from which normal forms accurate to third order may be computed, and for the first time we carefully compare bifurcations and dynamics of these normal forms with those of the untransformed systems restricted to a center manifold, and with Galerkin and finite difference approximations of the original PDE. While judicious use of symbolic manipulations makes feasible such high-order center manifold and normal form calculations, we show that the conclusions drawn from them are of limited use in understanding spatio-temporal complexity and chaos. As Guckenheimer (1981) argued, the method permits proof of existence of quasi-periodic motions and, under mild genericity assumptions, Sil'nikov chaos (sub-shifts of finite type), but the parameter and phase space ranges in which these results may be applied are extremely small.
Scaling properties of the field equation governing propagation of a thin flame front in a turbulent medium are discussed. It is shown that if the turbulent flame velocityuTcan be expressed through the turbulence inten...
Scaling properties of the field equation governing propagation of a thin flame front in a turbulent medium are discussed. It is shown that if the turbulent flame velocityuTcan be expressed through the turbulence intensityurmsand the laminar flame velocityu0asuT/u0∞ (urms/u0)x, then α → 1 in the scale invariant regime whenurms→ ∞.
The problem of propagation of turbulent premixed flame is analyzed using the field equation introduced recently by Kerstein, Ashurst and Williams (1987). The dynamic renormalization group method is applied to this equ...
The problem of propagation of turbulent premixed flame is analyzed using the field equation introduced recently by Kerstein, Ashurst and Williams (1987). The dynamic renormalization group method is applied to this equation and the formula for the turbulent flame velocity is derived in the lowest order in the ε-expansion. The formula, which does not include adjustable parameters, agrees well with experimental (Abdel-Gayed et al., 1984) and numerical (Ashurst & Barr 1983) results on flame propagation in high-Reynolds number turbulent media. Ways to design transport and large-eddy (sub-grid) models for simulation of combustion processes, based on the ideas developed in the present paper, are discussed.
Risk-driven behaviour provides a feedback mechanism through which individuals both shape and are collectively affected by an epidemic. We introduce a general and flexible compartmental model to study the effect of het...
详细信息
We prove that the gradient descent training of a two-layer neural network on empirical or population risk may not decrease population risk at an order faster than t−4/(d−2) under mean field scaling. The loss functiona...
详细信息
The equations of motion describing inviscid fluid flow are solved numerically in two dimensions for the case where the flow can be described by patches of constant vorticity. The case where the vorticity is described ...
The equations of motion describing inviscid fluid flow are solved numerically in two dimensions for the case where the flow can be described by patches of constant vorticity. The case where the vorticity is described initially by two circular patches is studied in detail. The numerical evidence indicates that when the minimum distance between the two patches is initially less than the radius of the patches a singularity forms in finite time on the boundary curves of the patches. The singularity appears to be a jump discontinuity in the tangent vector of the boundary curve.
The correspondence principle postulated for the description of hydrodynamic turbulence [Phys. Rev. Lett. 57, 1722 (1986)] combined with the theory of thermal boundary layer [B. Castaing et al. (private communication)]...
The correspondence principle postulated for the description of hydrodynamic turbulence [Phys. Rev. Lett. 57, 1722 (1986)] combined with the theory of thermal boundary layer [B. Castaing et al. (private communication)] is applied to high Rayleigh number convection in a Bénard cell. Quantitative interpretation of recent experimental data [B. Castaing et al. (private communication)] is presented. The predicted intermittency exponent following from comparison of the theory with experiment is 0.175<μ<0.275. A crucial experimental test of the renormalization group theory of turbulence is proposed.
Deviations from classical scaling behavior are shown to result in flattened energy and dissipation–fluctuation inertial‐range spectra in fully developed turbulence.
Deviations from classical scaling behavior are shown to result in flattened energy and dissipation–fluctuation inertial‐range spectra in fully developed turbulence.
暂无评论