General Approach to Mechanochemistry and Its Relation to Tribochemistry

Kajdas, C.

doi:10.5772/50507

Cited by 31 publications

(30 citation statements)

References 62 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The study of these reactions is referred to as tribochemistry. The term tribochemistry has been used relatively flexibly in the literature, but can generally be thought of to encompass chemical reactions that are driven by conditions arising in tribological contacts [1][2][3][4]. Tribochemical reactions play a critical role in most tribological applications [5].…”

Section: Introductionmentioning

confidence: 99%

Tribochemistry: A Review of Reactive Molecular Dynamics Simulations

2020

View full text Add to dashboard Cite

Tribochemistry, the study of chemical reactions in tribological interfaces, plays a critical role in determining friction and wear behavior. One method researchers have used to explore tribochemistry is “reactive” molecular dynamics simulation based on empirical models that capture the formation and breaking of chemical bonds. This review summarizes studies that have been performed using reactive molecular dynamics simulations of chemical reactions in sliding contacts. Topics include shear-driven reactions between and within solid surfaces, between solid surfaces and lubricating fluids, and within lubricating fluids. The review concludes with a perspective on the contributions of reactive molecular dynamics simulations to the current understanding of tribochemistry, as well as opportunities for this approach going forward.

show abstract

Section: Introductionmentioning

confidence: 99%

Tribochemistry: A Review of Reactive Molecular Dynamics Simulations

2020

View full text Add to dashboard Cite

show abstract

“…First introduced half a century ago (Jost 1966), the concept of tribology has specific applications in the geology of metamorphic rocks that have hitherto remained neglected. Tribochemistry deals with the chemical and physico-chemical changes of solids due to the influence of mechanical energy (Kajdas 2013). KEM is a tribological phenomenon that was discovered only recently through research on cupules.…”

Section: Tectonite Formation In Cupulesmentioning

confidence: 99%

The Science of Cupules

Bednarik¹

2015

Archaeometry

View full text Add to dashboard Cite

As the apparently simplest of all petroglyphs, cupules are shown to be scientifically and culturally very complex phenomena. Despite being the most common motif in rock art, their meaning or purpose remains largely unknown. This paper explores their physical and production properties, including their technology, taphonomy, morphology, biomechanics and energy investment involved, leading to the formulation of the production coefficient. The various quantifiable factors involved in cupule production are examined, including the phenomenon of kinetic energy metamorphosis (KEM). The tribological products, tectonite laminae, a new geological phenomenon first identified in cupules, offer the possibilities of developing a direct dating method as well explaining several related geological features.

show abstract

“…The high temperatures achieved can induce thermochemical processes, whereas the extreme stresses experienced in sliding contacts can promote mechanochemical reactions. As such, mechanochemical processes induced via shear and compression can be thought of as a subset of tribochemical reactions [120], and simulation techniques that are suitable for studying tribochemical processes can also be used to model these types of mechanochemical reactions. Despite this potential, far fewer simulations of these 'bulk' mechanochemical processes have been reported than their molecular counterparts, and thus the application of methods used in tribochemistry to study mechanochemical processes represents a relatively open avenue for further research.…”

Section: Methods For Simulating Bulk Mechanochemistrymentioning

confidence: 99%

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity

Kochhar

Heverly‐Coulson

Mosey

2015

Topics in Current Chemistry

View full text Add to dashboard Cite

The use of mechanical stresses to induce chemical reactions has attracted significant interest in recent years. Computational modeling can play a significant role in developing a comprehensive understanding of the interplay between stresses and chemical reactivity. In this review, we discuss techniques for simulating chemical reactions occurring under mechanochemical conditions. The methods described are broadly divided into techniques that are appropriate for studying molecular mechanochemistry and those suited to modeling bulk mechanochemistry. In both cases, several different approaches are described and compared. Methods for examining molecular mechanochemistry are based on exploring the force-modified potential energy surface on which a molecule subjected to an external force moves. Meanwhile, it is suggested that condensed phase simulation methods typically used to study tribochemical reactions, i.e., those occurring in sliding contacts, can be adapted to study bulk mechanochemistry.

show abstract

General Approach to Mechanochemistry and Its Relation to Tribochemistry

Cited by 31 publications

References 62 publications

Tribochemistry: A Review of Reactive Molecular Dynamics Simulations

Tribochemistry: A Review of Reactive Molecular Dynamics Simulations

The Science of Cupules

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity

Contact Info

Product

Resources

About