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https://doi.org/10.1103/physre...
Article . 2017 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
https://dx.doi.org/10.48550/ar...
Article . 2017
License: arXiv Non-Exclusive Distribution
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Golf-course and funnel energy landscapes: Protein folding concepts in martensites

Authors: N. Shankaraiah;

Golf-course and funnel energy landscapes: Protein folding concepts in martensites

Abstract

We use protein folding energy landscape concepts such as golf-course and funnel to study re-equilibration in athermal martensite parameter regime of triangle-to-centered rectangle, square-to-oblique, and triangle-to-oblique transitions under systematic temperature-quench Monte Carlo simulations. On quenching below a transition temperature, the seeded high-symmetry parent-phase austenite that converts to the low-symmetry product-phase martensite, through autocatalytic twinning or elastic photocopying, has both rapid conversions and incubation-delays in the temperature-time-transformation phase diagram. We find the rapid (incubation-delays) conversions at low (high) temperatures arises from the presence of large (small) size of golf-course edge that has funnel inside for negative energy states. In the incubating state, the strain structure factor enters into the Brillouin zone golf-course through searches for finite transitional pathways which closes off at the transition temperature with Vogel-Fulcher divergences that are insensitive to Hamiltonian energy scales and log-normal distributions, as signatures of dominant entropy barriers. The crossing of the entropy barrier is identified through energy occupancy distributions, Monte Carlo acceptance fractions, heat emission and internal work. The above ideas had previously been presented for the scalar order parameter case. Here we show similar results are also obtained for vector order parameters.

Keywords

Models, Molecular, Protein Folding, Statistical Mechanics (cond-mat.stat-mech), Proteins, FOS: Physical sciences, Thermodynamics, Computer Simulation, Monte Carlo Method, Condensed Matter - Statistical Mechanics

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green