Colloquium: Modeling friction: From nanoscale to mesoscale
The physics of sliding friction is gaining impulse from nanoscale and mesoscale
experiments, simulations, and theoretical modeling. This Colloquium reviews some recent …
experiments, simulations, and theoretical modeling. This Colloquium reviews some recent …
Chemical reactions modulated by mechanical stress: extended Bell theory
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 …
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 …
molecular machines, polymer chemistry, fracture mechanics, tribology, and other disciplines …
Reaction coordinates and pathways of mechanochemical transformations
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 …
provide low-dimensional descriptions of complex molecular processes. Here we discuss …
Exploring the topography of the stress-modified energy landscapes of mechanosensitive molecules
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 …
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
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 …
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) …
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
In covalent mechanochemistry, precise application of mechanical stress to molecules of
interest (“mechanophores”) is used to induce to promote desired reaction pathways …
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 …
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 …
a flat rigid substrate. The contact is in stable equilibrium if the total energy of the system …