655,714 research outputs found
Testing Reactive Probabilistic Processes
We define a testing equivalence in the spirit of De Nicola and Hennessy for
reactive probabilistic processes, i.e. for processes where the internal
nondeterminism is due to random behaviour. We characterize the testing
equivalence in terms of ready-traces. From the characterization it follows that
the equivalence is insensitive to the exact moment in time in which an internal
probabilistic choice occurs, which is inherent from the original testing
equivalence of De Nicola and Hennessy. We also show decidability of the testing
equivalence for finite systems for which the complete model may not be known
Changes in hydrodynamic, structural and geochemical properties in carbonate rock samples due to reactive transport
Reactive transport plays an important role in the development of a wide range of both anthropic and natural processes affecting geological media. To predict the consequences of reactive transport processes on structural and hydrodynamic properties of a porous media at large time and spatial scales, numerical modeling is a powerful tool. Nevertheless, such models, to be realistic, need geochemical, structural and hydrodynamic data inputs representative of the studied reservoir or material. Here, we present an experimental study coupling traditional laboratory measurements and percolation experiments in order to obtain the parameters that define rock heterogeneity, which can be altered during the percolation of a reactive fluid. In order to validate the experimental methodology and identify the role of the initial heterogeneities on the localization of the reactive transport processes, we used three different limestones with different petrophysical characteristics. We tracked the changes of geochemical, structural and hydrodynamic parameters in these samples induced by the percolation of an acid fluid by measuring, before and after the percolation experiment, petrophysical and hydrodynamic properties of the rocks.Peer ReviewedPostprint (published version
Proactive and reactive cognitive control and dorsolateral prefrontal cortex dysfunction in first episode schizophrenia.
Cognitive control deficits have been consistently documented in patients with schizophrenia. Recent work in cognitive neuroscience has hypothesized a distinction between two theoretically separable modes of cognitive control-reactive and proactive. However, it remains unclear the extent to which these processes are uniquely associated with dysfunctional neural recruitment in individuals with schizophrenia. This functional magnetic resonance imaging (fMRI) study utilized the color word Stroop task and AX Continuous Performance Task (AX-CPT) to tap reactive and proactive control processes, respectively, in a sample of 54 healthy controls and 43 patients with first episode schizophrenia. Healthy controls demonstrated robust dorsolateral prefrontal, anterior cingulate, and parietal cortex activity on both tasks. In contrast, patients with schizophrenia did not show any significant activation during proactive control, while showing activation similar to control subjects during reactive control. Critically, an interaction analysis showed that the degree to which prefrontal activity was reduced in patients versus controls depended on the type of control process engaged. Controls showed increased dorsolateral prefrontal cortex (DLPFC) and parietal activity in the proactive compared to the reactive control task, whereas patients with schizophrenia did not demonstrate this increase. Additionally, patients' DLPFC activity and performance during proactive control was associated with disorganization symptoms, while no reactive control measures showed this association. Proactive control processes and concomitant dysfunctional recruitment of DLPFC represent robust features of schizophrenia that are also directly associated with symptoms of disorganization
Lattice Gas Automata for Reactive Systems
Reactive lattice gas automata provide a microscopic approachto the dynamics
of spatially-distributed reacting systems. After introducing the subject within
the wider framework of lattice gas automata (LGA) as a microscopic approach to
the phenomenology of macroscopic systems, we describe the reactive LGA in terms
of a simple physical picture to show how an automaton can be constructed to
capture the essentials of a reactive molecular dynamics scheme. The statistical
mechanical theory of the automaton is then developed for diffusive transport
and for reactive processes, and a general algorithm is presented for reactive
LGA. The method is illustrated by considering applications to bistable and
excitable media, oscillatory behavior in reactive systems, chemical chaos and
pattern formation triggered by Turing bifurcations. The reactive lattice gas
scheme is contrasted with related cellular automaton methods and the paper
concludes with a discussion of future perspectives.Comment: to appear in PHYSICS REPORTS, 81 revtex pages; uuencoded gziped
postscript file; figures available from [email protected] or
[email protected]
Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations
We propose computational protocol (compressive shear reactive dynamics) utilizing the ReaxFF reactive force field to study chemical initiation under combined shear and compressive load. We apply it to predict the anisotropic initiation sensitivity observed experimentally for shocked pentaerythritol tetranitrate single crystals. For crystal directions known to be sensitive we find large stress overshoots and fast temperature increase that result in early bond-breaking processes whereas insensitive directions exhibit small stress overshoot, lower temperature increase, and little bond dissociation. These simulations confirm the model of steric hindrance to shear and capture the thermochemical processes dominating the phenomena of shear-induced chemical initiation
Vibrational deactivation on chemically reactive potential surfaces: An exact quantum study of a low barrier collinear model of H + FH, D + FD, H + FD and D + FH
We study vibrational deactivation processes on chemically reactive potential energy surfaces by examining accurate quantum mechanical transition probabilities and rate constants for the collinear H + FH(v), D + FD(v), H + FD(v), and D + FH(v) reactions. A low barrier (1.7 kcal/mole) potential surface is used in these calculations, and we find that for all four reactions, the reactive inelastic rate constants are larger than the nonreactive ones for the same initial and final vibrational states. However, the ratios of these reactive and nonreactive rate constants depend strongly on the vibrational quantum number v and the isotopic composition of the reagents. Nonreactive and reactive transition probabilities for multiquantum jump transitions are generally comparable to those for single quantum transitions. This vibrationally nonadiabatic behavior is a direct consequence of the severe distortion of the diatomic that occurs in a collision on a low barrier reactive surface, and can make chemically reactive atoms like H or D more efficient deactivators of HF or DF than nonreactive collision partners. Many conclusions are in at least qualitative agreement with those of Wilkinâs three dimensional quasiclassical trajectory study on the same systems using a similar surface. We also present results for H + HF(v) collisions which show that for a higher barrier potential surface (33 rather than 1.7 kcal/mole), the deactivation process becomes similar in character to that for nonreactive partners, with vâvâ1 processes dominating
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