Related papers: The chemistry induced by mechanical load
Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…
The purpose of this work is to use active particles to study the effect of facilitation on supercooled liquids. To this end we investigate the behavior of a model supercooled liquid doped with intermittently active and intermittently slowed…
Automated and robotic ground-vehicle solutions are gradually becoming part of the agricultural industry, where they are used for performing tasks such as feeding, herding, planting, harvesting, and weed spraying. Agricultural machinery…
The process of multicomponent condensation is considered. The theory taking into account several channels of nucleation is constructed. The analytical approximate description of the whole condensation process is given. The specific…
Mechanistic interpretability produces circuit-level causal analyses of neural network behaviour, but discovered circuits often remain isolated experimental artefacts: there is no shared formal representation for what circuits compute, how…
Mechanochemical coupling was studied for two different types of myosin motors in cells: myosin V, which carries cargo over long distances by as a single molecule; and myosin II, which generates a contracting force in cooperation with other…
Chemo-mechanical effects are known to be significant in a number of applications in modern geomechanics, ranging from slope stability assessment to soil improvement and CO2 sequestration. This work focuses on coupled chemo-mechanical…
The recent finding of collective actuation in active solids, namely solids embedded with active units, opens the path towards multifunctional materials with genuine autonomy. In such systems, collective dynamics emerge spontaneously and…
Bone remodeling involves the coordinated removal of bone by osteoclasts and addition of bone by osteoblasts, a process that is modulated by the prevailing mechanical environment. In this paper a fully coupled model of bone remodeling is…
A simple model for the reaction-driven propulsion of a small device is proposed as a model for (part of) a molecular machine in aqueous media. Motion of the device is driven by an asymmetric distribution of reaction products. The propulsive…
Molecular motors transduce chemical energy obtained from hydrolizing ATP into mechanical work exerted against an external force. We calculate their efficiency at maximum power output for two simple generic models and show that the…
Molecular dynamics simulations are used to study structure formation in simple model polymer chains that are subject to excluded volume and torsional interactions. The changing conformations exhibited by chains of different lengths under…
Colloidal motors without moving parts can be propelled by self-diffusiophoresis, coupling molecular concentration gradients generated by surface chemical reactions to the velocity slip between solid Janus particles and the surrounding fluid…
Many biochemical and industrial applications involve complicated networks of simultaneously occurring chemical reactions. Under the assumption of mass action kinetics, the dynamics of these chemical reaction networks are governed by systems…
Machine learning models are poised to make a transformative impact on chemical sciences by dramatically accelerating computational algorithms and amplifying insights available from computational chemistry methods. However, achieving this…
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
Biological adhesion often involves several pairs of specific receptor-ligand molecules. Using rate equations, we study theoretically the rupture of such multiple parallel bonds under dynamic loading assisted by thermal activation. For a…
In this note, we analyze the relationships that should govern the use of thermodynamics in fluid mechanics in a way that we believe is understandable to mathematicians. We also aim to better define the reasons why mechanics and…
Autocatalysis is a fundamental concept, used in a wide range of domains. From the most general definition of autocatalysis, that is a process in which a chemical compound is able to catalyze its own formation, several different systems can…
When two solids are squeezed together they will in general not make atomic contact everywhere within the nominal (or apparent) contact area. This fact has huge practical implications and must be considered in many technological…