Persistence of transition state structure in chemical reactions driven by fields oscillating in time

Chemical reactions subjected to time-varying external forces cannot generally be described through a fixed bottleneck near the transition state barrier or dividing surface. A naive dividing surface attached to the instantaneous, but moving, barrier top also fails to be recrossing-free. We construct a moving dividing surface in phase space over a transition state trajectory. This surface is recrossing-free for both Hamiltonian and dissipative dynamics. This is confirmed even for strongly anharmonic barriers using simulation. The power of transition state theory is thereby applicable to chemical reactions and other activated processes even when the bottlenecks are time-dependent and move across space

Criterion for traffic phases in single vehicle data and empirical test of a microscopic three-phase traffic theory

A microscopic criterion for distinguishing synchronized flow and wide moving jam phases in single vehicle data measured at a single freeway location is presented. Empirical local congested traffic states in single vehicle data measured on different days are classified into synchronized flow states and states consisting of synchronized flow and wide moving jam(s). Then empirical microscopic characteristics for these different local congested traffic states are studied. Using these characteristics and empirical spatiotemporal macroscopic traffic phenomena, an empirical test of a microscopic three-phase traffic flow theory is performed. Simulations show that the microscopic criterion and macroscopic spatiotemporal objective criteria lead to the same identification of the synchronized flow and wide moving jam phases in congested traffic. It is found that microscopic three-phase traffic models can explain both microscopic and macroscopic empirical congested pattern features. It is obtained that microscopic distributions for vehicle speed difference as well as fundamental diagrams and speed correlation functions can depend on the spatial co-ordinate considerably. It turns out that microscopic optimal velocity (OV) functions and time headway distributions are not necessarily qualitatively different, even if local congested traffic states are qualitatively different. The reason for this is that important spatiotemporal features of congested traffic patterns are it lost in these as well as in many other macroscopic and microscopic traffic characteristics, which are widely used as the empirical basis for a test of traffic flow models, specifically, cellular automata traffic flow models.Comment: 27 pages, 16 figure

Three-phase traffic theory and two-phase models with a fundamental diagram in the light of empirical stylized facts

Despite the availability of large empirical data sets and the long history of traffic modeling, the theory of traffic congestion on freeways is still highly controversial. In this contribution, we compare Kerner's three-phase traffic theory with the phase diagram approach for traffic models with a fundamental diagram. We discuss the inconsistent use of the term "traffic phase" and show that patterns demanded by three-phase traffic theory can be reproduced with simple two-phase models, if the model parameters are suitably specified and factors characteristic for real traffic flows are considered, such as effects of noise or heterogeneity or the actual freeway design (e.g. combinations of off- and on-ramps). Conversely, we demonstrate that models created to reproduce three-phase traffic theory create similar spatiotemporal traffic states and associated phase diagrams, no matter whether the parameters imply a fundamental diagram in equilibrium or non-unique flow- density relationships. In conclusion, there are different ways of reproducing the empirical stylized facts of spatiotemporal congestion patterns summarized in this contribution, and it appears possible to overcome the controversy by a more precise definition of the scientific terms and a more careful comparison of models and data, considering effects of the measurement process and the right level of detail in the traffic model used.Comment: 18 pages in the published article, 13 figures, 2 table

Congested Traffic States in Empirical Observations and Microscopic Simulations

We present data from several German freeways showing different kinds of congested traffic forming near road inhomogeneities, specifically lane closings, intersections, or uphill gradients. The states are localized or extended, homogeneous or oscillating. Combined states are observed as well, like the coexistence of moving localized clusters and clusters pinned at road inhomogeneities, or regions of oscillating congested traffic upstream of nearly homogeneous congested traffic. The experimental findings are consistent with a recently proposed theoretical phase diagram for traffic near on-ramps [D. Helbing, A. Hennecke, and M. Treiber, Phys. Rev. Lett. {\bf 82}, 4360 (1999)]. We simulate these situations with a novel continuous microscopic single-lane model, the ``intelligent driver model'' (IDM), using the empirical boundary conditions. All observations, including the coexistence of states, are qualitatively reproduced by describing inhomogeneities with local variations of one model parameter. We show that the results of the microscopic model can be understood by formulating the theoretical phase diagram for bottlenecks in a more general way. In particular, a local drop of the road capacity induced by parameter variations has practically the same effect as an on-ramp.Comment: Now published in Phys. Rev. E. Minor changes suggested by a referee are incorporated; full bibliographic info added. For related work see http://www.mtreiber.de/ and http://www.helbing.org