J Chem Phys
November 2024
The split-charge equilibration method is extended to describe dissipative charge transfer similarly as the Drude model, whereby the complex-valued frequency-dependent dielectric permittivities or conductivities of dielectrics and metals can be mimicked at non-zero frequencies. To demonstrate its feasibility, a resistor-capacitor circuit is simulated using an all-atom representation for the resistor and capacitor. The dynamics reproduce the expected charging process and Nyquist noise, the latter resulting from the thermal voltages acting on individual split charges.
View Article and Find Full Text PDFUsing atomic force microscopy experiments and molecular dynamics simulations of gold nanoislands on graphite, we investigate why ultralow friction commonly associated with structural lubricity can be observed even under ambient conditions. Measurements conducted within a few days after sample synthesis reveal previously undiscovered phenomena in structurally lubric systems: , a drop in kinetic friction of an order of magnitude shortly after the onset of sliding; , a significant increase in kinetic friction forces after a rest period of 30 min or more; and , spontaneous jumps between distinct friction branches. These three effects are drastically suppressed a few weeks later.
View Article and Find Full Text PDFWhile viscoelastic, adhesive contact rupture of simple indenters is well studied, contact formation has received much less attention. Here, we present simulations of the formation of contact between various power law indenters and an adhesive, viscoelastic foundation. For all investigated indenters, we find that the macroscopic relaxation time τ scales approximately with 1/ρ1.
View Article and Find Full Text PDFWe study how the commonly neglected coupling of normal and in-plane elastic response affects tribological properties when Hertzian or randomly rough indenters slide past an elastic body. Compressibility-induced coupling is found to substantially increase maximum tensile stresses, which cause materials to fail, and to decrease friction such that Amontons' law is violated macroscopically even when it holds microscopically. Confinement-induced coupling increases friction and enlarges domains of high tension.
View Article and Find Full Text PDFNatural plant populations are polymorphic and show intraspecific variation in resistance properties against pathogens. The activation of the underlying defence responses can depend on variation in perception of pathogen-associated molecular patterns or elicitors. To dissect such variation, we evaluated the responses induced by laminarin (a glucan, representing an elicitor from oomycetes) in the wild tomato species Solanum chilense and correlated this to observed infection frequencies of Phytophthora infestans.
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