scholarly journals Effect of Energy Degeneracy on the Transition Time for a Series of Metastable States

2021 ◽  
Vol 184 (1) ◽  
Author(s):  
Gianmarco Bet ◽  
Vanessa Jacquier ◽  
Francesca R. Nardi

AbstractWe consider the problem of metastability for stochastic dynamics with exponentially small transition probabilities in the low temperature limit. We generalize previous model-independent results in several directions. First, we give an estimate of the mixing time of the dynamics in terms of the maximal stability level. Second, assuming the dynamics is reversible, we give an estimate of the associated spectral gap. Third, we give precise asymptotics for the expected transition time from any metastable state to the stable state using potential-theoretic techniques. We do this in a general reversible setting where two or more metastable states are allowed and some of them may even be degenerate. This generalizes previous results that hold for a series of only two metastable states. We then focus on a specific Probabilistic Cellular Automata (PCA) with configuration space $${\mathcal {X}}=\{-1,+1\}^\varLambda $$ X = { - 1 , + 1 } Λ where $$\varLambda \subset {\mathbb {Z}}^2$$ Λ ⊂ Z 2 is a finite box with periodic boundary conditions. We apply our model-independent results to find sharp estimates for the expected transition time from any metastable state in $$\{\underline{-1}, {\underline{c}}^o,{\underline{c}}^e\}$$ { - 1 ̲ , c ̲ o , c ̲ e } to the stable state $$\underline{+1}$$ + 1 ̲ . Here $${\underline{c}}^o,{\underline{c}}^e$$ c ̲ o , c ̲ e denote the odd and the even chessboard respectively. To do this, we identify rigorously the metastable states by giving explicit upper bounds on the stability level of every other configuration. We rely on these estimates to prove a recurrence property of the dynamics, which is a cornerstone of the pathwise approach to metastability.

2020 ◽  
Vol 54 (6) ◽  
pp. 2295-2318 ◽  
Author(s):  
Christoph Ortner ◽  
Jack Thomas ◽  
Huajie Chen

The tight binding model is a minimalistic electronic structure model for predicting properties of materials and molecules. For insulators at zero Fermi-temperature we show that the potential energy surface of this model can be decomposed into exponentially localised site energy contributions, thus providing qualitatively sharp estimates on the interatomic interaction range which justifies a range of multi-scale models. For insulators at finite Fermi-temperature we obtain locality estimates that are uniform in the zero-temperature limit. A particular feature of all our results is that they depend only weakly on the point spectrum. Numerical tests confirm our analytical results. This work extends Chen and Ortner [Multiscale Model. Simul. 14 (2016) 232–264] and Chen et al. [Arch. Ration. Mech. Anal. 230 (2018) 701–733] to the case of zero Fermi-temperature as well as strengthening the results proved therein.


Author(s):  
S.G. Lebedev

The effect of switching electrical resistivity in nanographite films is described. In contrast to the cases published earlier, switching in nanographite films occurs from a stable state with high conductivity to a metastable state with low conductivity. The critical switching current varies in the range of 10–500 mA and can be increased to values of 100 A or more, suitable for using nanographite switches in intelligent electric networks as contactless current limiters and circuit breakers. Possible mechanisms of the switching phenomenon in nanographite films are discussed.


2019 ◽  
Author(s):  
Bao Qiu ◽  
Minghao Zhang ◽  
Seung-Yong Lee ◽  
Haodong Liu ◽  
Thomas A. Wynn ◽  
...  

Great focus has recently been placed on the advancement of anionic redox, to which high capacities of Li-rich layered oxides are attributed. With almost doubled capacity compared with state-of-the-art cathode materials, Li-rich layered oxides still fall short in other performance metrics. Among these, gradual voltage decay upon cycling remains the most hindering obstacle, in which defect electrochemistry plays a critical role. Here, we reveal the metastable state of cycled Li-rich layered oxide which stems from structural defects in different dimensions. We demonstrate the unique cycled metastable structure concomitant with anionic redox activity is responsible for the voltage decay. More importantly, through mild thermal energy, the metastable state can be driven to a stable state close to the pristine state, bringing about structural and voltage recovery. These insights elucidate understanding the structure metastability and reversibility is essential for implementing rational design strategies to improve cycling stability for high-capacity layered oxides.


2011 ◽  
Vol 2011 ◽  
pp. 1-10 ◽  
Author(s):  
Mohammad Sazzad Khan ◽  
Poonam Singh ◽  
Asim Azhar ◽  
Asma Naseem ◽  
Qudsia Rashid ◽  
...  

The serpins (serine proteinase inhibitors) are structurally similar but functionally diverse proteins that fold into a conserved structure and employ a unique suicide substrate-like inhibitory mechanism. Serpins play absolutely critical role in the control of proteases involved in the inflammatory, complement, coagulation and fibrinolytic pathways and are associated with many conformational diseases. Serpin's native state is a metastable state which transforms to a more stable state during its inhibitory mechanism. Serpin in the native form is in the stressed (S) conformation that undergoes a transition to a relaxed (R) conformation for the protease inhibition. During this transition the region called as reactive center loop which interacts with target proteases, inserts itself into the center of β-sheet A to form an extra strand. Serpin is delicately balanced to perform its function with many critical residues involved in maintaining metastability. However due to its typical mechanism of inhibition, naturally occurring serpin variants produces conformational instability that allows insertion of RCL of one molecule into the β-sheet A of another to form a loop-sheet linkage leading to its polymerization and aggregation. Thus understanding the molecular basis and amino acid involved in serpin polymerization mechanism is critical to devising strategies for its cure.


2008 ◽  
Vol 65 (11) ◽  
pp. 3479-3496 ◽  
Author(s):  
Illia Horenko ◽  
Stamen I. Dolaptchiev ◽  
Alexey V. Eliseev ◽  
Igor I. Mokhov ◽  
Rupert Klein

Abstract This paper presents an extension of the recently developed method for simultaneous dimension reduction and metastability analysis of high-dimensional time series. The modified approach is based on a combination of ensembles of hidden Markov models (HMMs) with state-specific principal component analysis (PCA) in extended space (guaranteeing that the overall dynamics will be Markovian). The main advantage of the modified method is its ability to deal with the gaps in the high-dimensional observation data. The proposed method allows for (i) the separation of the data according to the metastable states, (ii) a hierarchical decomposition of these sets into metastable substates, and (iii) calculation of the state-specific extended empirical orthogonal functions simultaneously with identification of the underlying Markovian dynamics switching between those metastable substates. The authors discuss the introduced model assumptions, explain how the quality of the resulting reduced representation can be assessed, and show what kind of additional insight into the underlying dynamics such a reduced Markovian representation can give (e.g., in the form of transition probabilities, statistical weights, mean first exit times, and mean first passage times). The performance of the new method analyzing 500-hPa geopotential height fields [daily mean values from the 40-yr ECMWF Re-Analysis (ERA-40) dataset for a period of 44 winters] is demonstrated and the results are compared with information gained from a numerically expensive but assumption-free method (Wavelets–PCA), and the identified metastable states are interpreted w.r.t. the blocking events in the atmosphere.


2007 ◽  
Vol 21 (13) ◽  
pp. 817-830
Author(s):  
ŞÜKRÜ ÖZGAN

This work focuses on theoretically-obtained state solutions on molecular crystals with order–disorder phenomena in both the orientation and position of molecules. The stable, metastable and unstable solutions of the modified Pople–Karasz theory of molecular crystals are studied using two different methods. The first displays the free energy surfaces in the form of the contour mapping. The second obtains the flow diagrams and the relaxation curves by solving the dynamical equations. At temperatures lower than the lower limit of the stability temperature (T l ), two solutions, namely unstable and stable, are obtained. At these temperatures the system always relaxes to a stable state. Between the lower limit and the upper limit of the stability temperatures (T u ), there are three solutions: stable, metastable and unstable. In this case, the system relaxes to either a stable or a metastable state. The unstable state is a saddle-point which plays an important role in explaining how to get a system frozen-in in the metastable state. Above T u , there is a single stable solution. The solutions obtained from these two methods are in exact agreement with each other for a given temperature and coupling constant.


1991 ◽  
Vol 05 (07) ◽  
pp. 519-529 ◽  
Author(s):  
G. AMBIKA ◽  
K. BABU JOSEPH ◽  
V.M. NANDAKUMARAN

We consider a resistively shunted Josephson junction with a resistance that depends inversely on voltage. It is shown that such a junction in the underdamped case can give rise to extremely long-lived metastable states even in the absence of external noise. We investigate numerically this metastable state and its transition to a chaotic state. The junction voltages corresponding to these states are studied.


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