Transition‐State Rate Theory and the Radiative Recombination of Atoms

1967 ◽  
Vol 46 (4) ◽  
pp. 1538-1539 ◽  
Author(s):  
Howard B. Palmer ◽  
Ralph A. Carabetta
Keyword(s):  
Transition State ◽  
Radiative Recombination ◽  
Rate Theory ◽  
State Rate

Non-equilibrium transition state rate theory

2014 ◽  
Vol 5 (10) ◽  
pp. 3761-3769 ◽  
Author(s):  
Haidong Feng ◽  
Kun Zhang ◽  
Jin Wang
Keyword(s):  
Transition State ◽  
Rate Theory ◽  
Equilibrium Processes ◽  
State Rate ◽  
Equilibrium Transition ◽  
Biological Equilibrium ◽  
Non Equilibrium

Transition state or Kramers' rate theory has been used to quantify the kinetic speed of many chemical, physical and biological equilibrium processes successfully.

scholarly journals Transition-state rate theory sheds light on ‘black-box’ biodegradation algorithms

2020 ◽  
Vol 22 (11) ◽  
pp. 3558-3571
Author(s):  
T. M. Nolte ◽  
W. J. G. M. Peijnenburg ◽  
T. J. H. M. van Bergen ◽  
A. J. Hendriks
Keyword(s):  
Transition State ◽  
First Principles ◽  
Black Box ◽  
Rate Theory ◽  
Energetic Properties ◽  
State Rate ◽  
Algebraic Formula

An algebraic formula stemming from transition-state rate theory using simple electronic, geometrical and energetic properties can improve our understanding of biodegradation via ‘first principles’.

Kinetic paths of B2 and DO3 order parameters: Theory

1989 ◽  
Vol 4 (5) ◽  
pp. 1132-1139 ◽  
Author(s):  
L. Anthony ◽  
B. Fultz
Keyword(s):  
Time Dependence ◽  
Nearest Neighbor ◽  
Temporal Evolution ◽  
Initial Conditions ◽  
Interatomic Interaction ◽  
Order Parameters ◽  
Rate Theory ◽  
Bcc Lattice ◽  
Activated State ◽  
State Rate

It is shown that a binary alloy with an AB3 stoichiometry on a bcc lattice may develop various combinations of B2 and DO3 order along its kinetic path toward equilibrium. The temporal evolution of these two order parameters is analyzed with an activated-state rate theory. Individual vacancy jumps are treated in a master equation formalism that involves first-nearest-neighbor (1nn) and second-nearest-neighbor (2nn) interactions. In our formulation, a set of coupled differential equations is obtained describing the time-dependence of six order parameters. These equations were integrated numerically for a variety of interatomic interactions and initial conditions. It was found that the relative rates of B2 and DO3 ordering, and hence the path of the alloy through the space spanned by the B2 and DO3 order parameters, depend on the relative strengths of the interatomic interaction potentials and on the temperature. For very strong 2nn interactions, a transient B32 structure was observed to develop at early times, although this phase disappeared as equilibrium was approached.

Kinetics of B2 and D03 Ordering: Theory

1990 ◽  
Vol 186 ◽  
Author(s):  
L. Anthony ◽  
B. Fultz
Keyword(s):  
Range Order ◽  
Rate Theory ◽  
Probability Method ◽  
Interatomic Potentials ◽  
Second Stage ◽  
Activated State ◽  
State Rate ◽  
Two Stages ◽  
Kinetics Of ◽  
Path Probability Method

AbstractMonte-Carlo simulations (MCS) and the path probability method (PPM) were used to study disorder→order transformations in bcc alloys having the AB3 stoichiometry. Both methods used an explicit vacancy mechanism of ordering and an activated-state rate theory for the vacancy jumps. We studied the evolution of short-range order (SRO) as well as B2 and D03 long-range order (LRO) in alloys that began as random solid solutions. The growth rates of SRO and LRO were significantly higher for the PPM than for the MCS. We attribute this difference to improper handling of correlated vacancy motions in the PPM. The PPM also suffered from an artificial incubation time for the initiation of LRO. Both the MCS and the PPM showed that SRO has a tendency to develop in two stages. In the first stage there is a quick relaxation of the SRO by itself. In the second stage, which occurs with a longer time constant, the SRO and LRO grow simultaneously. Parametric plots of one order parameter against another, here termed “kinetic paths”, are discussed. A variety of different kinetic paths through the B2 and D03 order parameters can be predicted theoretically, depending on the choice of interatomic potentials. This range of calculated kinetic paths is broad enough to encompass our experimental results of SRO and LRO evolution in Fe3Al.

TOWARDS A UNIFIED RATE THEORY OF STOCHASTIC RESONANCE

2006 ◽  
Vol 06 (04) ◽  
pp. L405-L413
Author(s):  
MATTHEW R. BENNETT ◽  
KURT WIESENFELD
Keyword(s):  
Stochastic Resonance ◽  
Rate Theory ◽  
Simple Generalization ◽  
Unified View ◽  
State Rate

We present a theory which connects two-state and excitable versions of stochastic resonance. The latter appears as an extreme asymmetric limit of traditional two-state rate theory. To achieve this unified view we are led to a simple generalization of excitable stochastic resonance.

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