Mechanochemistry and Thermochemistry are Different: Stress-Induced Strengthening of Chemical Bonds

Konôpka, Martin; Turanský, Robert; Reichert, Joachim; Fuchs, Harald; Marx, Dominik; Štich, Ivan

doi:10.1103/physrevlett.100.115503

Cited by 75 publications

(68 citation statements)

References 35 publications

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“…The use of small pull-studs (2.7 mm in diameter: contact area ≈ 5.725 mm [37,58,59]. In order to demonstrate that titanium-HA interface debonding had occurred (adhesive rather than cohesive failure), EDX analysis was carried out on the pull-studs after testing.…”

Section: Mechanical Testingmentioning

confidence: 99%

Evaluation and comparison of hydroxyapatite coatings deposited using both thermal and non-thermal techniques

Barry

Twomey

Cowley

et al. 2013

Surface and Coatings Technology

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This paper compares the properties of hydroxyapatite (HA) coatings, obtained using two different deposition technologies on Ti-6Al-4V substrates. The deposition techniques evaluated were: atmospheric plasma spray (APS, thermal treatment) and a novel micro-blasting technique known as CoBlast (non-thermal treatment). The HA coatings were examined with respect to their morphology, crystallinity and adhesion, while the phase concentration of the metallic substrates were also analysed. In vitro cell proliferation and cell morphology studies using MG-63 osteoblastic cells were carried out on the HA coated substrates obtained using the two deposition techniques, with untreated titanium grade 5 (Ti-6Al-4V) substrates utilised as a control. XRD analysis of the CoBlast deposited HA coatings demonstrated that it was comprised of the same crystalline HA as the precursor powder. For the APS HA coatings however, additional calcium phosphate phases were observed, and these were attributed to phase changes caused by the high plasma deposition temperatures. The APS treated samples also exhibited evidence of substrate modification, with substrate conversion to a β-rich surface at the HA/substrate interface was observed in the XRD analysis. CoBlast HA coatings, with an average thickness of approx. 2.5 µm, were found to have higher tensile adhesion values (33.6 and 35.7MPa), when compared with the 5 MPa obtained for the approx. 26.9 µm thick APS coatings using a modified tensile adhesion test. This lower adhesion tensile value is most likely due to the increased residual stress generated in the HA coating during thermal plasma processing. The cell response studies on the four surfaces tested indicate that the HA surfaces exhibited higher levels of cell proliferation than the untreated titanium after 5 days, with the CoBlast surfaces displaying statically significant increases in cell proliferation.3

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Section: Mechanical Testingmentioning

confidence: 99%

Evaluation and comparison of hydroxyapatite coatings deposited using both thermal and non-thermal techniques

Barry

Twomey

Cowley

et al. 2013

Surface and Coatings Technology

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“…The binding energy defined above is indeed the negative of vertical fragmentation energy, firstly suggested by Konôpka et al [18], which for a system A-B is defined as…”

Section: Introductionmentioning

confidence: 99%

Effects of hydration level, temperature, side chain and backbone flexibility of the polymer on the proton transfer in short-side-chain perfluorosulfonic acid membranes at low humidity conditions

Ahadian¹,

Mizuseki²

2011

Journal of Membrane Science

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“…These studies have focused primarily on simulating molecular systems exposed to external forces by treating the system as though it moves on a force-modified potential energy surface that incorporates the work performed on a chemical system as it undergoes structural changes in the presence of an external force. These studies have examined the rupture forces of bonds [32], the reactivities of molecules subjected to tensile stresses and strains [38][39][40][41], the effects of strains on pericyclic reactions [14, 29-31, 33, 34, 42-44], the differences between thermochemistry and mechanochemistry [45], and the effects of chain length on the transduction of external forces at atomic levels [46,47].…”

Section: Introductionmentioning

confidence: 99%

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity

Kochhar

Heverly‐Coulson

Mosey

2015

Topics in Current Chemistry

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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.

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Mechanochemistry and Thermochemistry are Different: Stress-Induced Strengthening of Chemical Bonds

Cited by 75 publications

References 35 publications

Evaluation and comparison of hydroxyapatite coatings deposited using both thermal and non-thermal techniques

Evaluation and comparison of hydroxyapatite coatings deposited using both thermal and non-thermal techniques

Effects of hydration level, temperature, side chain and backbone flexibility of the polymer on the proton transfer in short-side-chain perfluorosulfonic acid membranes at low humidity conditions

Theoretical Approaches for Understanding the Interplay Between Stress and Chemical Reactivity

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