Colloquium: Modeling friction: From nanoscale to mesoscale

A Vanossi, N Manini, M Urbakh, S Zapperi… - Reviews of Modern Physics, 2013 - APS
The physics of sliding friction is gaining impulse from nanoscale and mesoscale
experiments, simulations, and theoretical modeling. This Colloquium reviews some recent …

Chemical reactions modulated by mechanical stress: extended Bell theory

SSM Konda, JN Brantley, CW Bielawski… - The Journal of chemical …, 2011 - pubs.aip.org
A number of recent studies have shown that mechanical stress can significantly lower or
raise the activation barrier of a chemical reaction. Within a common approximation due to …

Perspective: Mechanochemistry of biological and synthetic molecules

DE Makarov - The Journal of chemical physics, 2016 - pubs.aip.org
Coupling of mechanical forces and chemical transformations is central to the biophysics of
molecular machines, polymer chemistry, fracture mechanics, tribology, and other disciplines …

Reaction coordinates and pathways of mechanochemical transformations

SM Avdoshenko, DE Makarov - The Journal of Physical Chemistry …, 2016 - ACS Publications
The notions of a reaction path and a reaction coordinate are central to chemistry as they
provide low-dimensional descriptions of complex molecular processes. Here we discuss …

Exploring the topography of the stress-modified energy landscapes of mechanosensitive molecules

SSM Konda, SM Avdoshenko… - The Journal of chemical …, 2014 - pubs.aip.org
We propose a method for computing the activation barrier for chemical reactions involving
molecules subjected to mechanical stress. The method avoids reactant and transition-state …

Kinetic ductility and force-spike resistance of proteins from single-molecule force spectroscopy

P Cossio, G Hummer, A Szabo - Biophysical journal, 2016 - cell.com
Ductile materials can absorb spikes in mechanical force, whereas brittle ones fail
catastrophically. Here we develop a theory to quantify the kinetic ductility of single molecules …

Evolution of the potential energy landscape with static pulling force for two model proteins

DJ Wales, T Head-Gordon - The Journal of Physical Chemistry B, 2012 - ACS Publications
The energy landscape is analyzed for off-lattice bead models of protein L and protein G as a
function of a static pulling force. Two different pairs of attachment points (pulling directions) …

[HTML][HTML] Finding mechanochemical pathways and barriers without transition state search

SM Avdoshenko, DE Makarov - The Journal of chemical physics, 2015 - pubs.aip.org
In covalent mechanochemistry, precise application of mechanical stress to molecules of
interest (“mechanophores”) is used to induce to promote desired reaction pathways …

Microscopic carriers of plasticity in glassy polystyrene

RHM Mols, GG Vogiatzis… - Macromolecular …, 2021 - Wiley Online Library
The relevant parts of the microstructure participating in the plastic deformation of glassy
polystyrene are identified. This is achieved by performing quasi‐static deformation …

[PDF][PDF] Noise-activated dissociation of soft elastic contacts

MK Chaudhury, PS Goohpattader - The European Physical Journal E, 2012 - Springer
Adhesive forces are capable of deforming a soft elastic object when it comes in contact with
a flat rigid substrate. The contact is in stable equilibrium if the total energy of the system …