Related papers: Adsorption property of fatty acid on iron surface …
Adsorption of Fe on the rutile (110)-surface is investigated by means of {\it ab initio} density functional theory calculations. We discuss the deposition of single Fe atoms, an increasing Fe coverage, as well as the adsorption of small Fe…
We present theoretical calculations for the absorption properties of protein-coated gold nanoparticles on graphene and graphite substrates. As the substrate is far away from nanoparticles, numerical results show that the number of protein…
We conducted lateral force microscopy measurements on seven [LaMnO$_{3}$]$_{m}$/[SrMnO$_{3}$]$_{n}$ superlattices with varied layer thicknesses. We observe that the friction forces and the friction coefficients initially increase with…
Experimental methods allow the shape and chemical composition of solid surfaces to be controlled at a mesoscopic level. Exposing such structured substrates to a gas close to coexistence with its liquid can produce quite distinct adsorption…
The sliding motion of gold slabs adsorbed on a graphite substrate is simulated using molecular-dynamics. The central quantity of interest is the mean lateral force, i.e., the kinetic friction rather than the maximum lateral forces, which…
Solid solution addition and grain boundary segregation have been independently shown to enhance the strength of nanocrystalline alloys. In the present study, the synergy between these two effects is investigated in nanocrystalline Ni-Cr-Y…
We present a study of sliding friction for rigid triangular steel sliders on soft rubber substrates under both lubricated and dry conditions. For rubber surfaces lubricated with a thin film of silicone oil, the measured sliding friction at…
We determined frictional figures of merit for a pair of layered honeycomb nanostructures, such as graphane, fluorographene, MoS$_2$ and WO$_2$ moving over each other, by carrying out ab-initio calculations of interlayer interaction under…
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…
A macroscopically nominal flat surface is rough at the nanoscale level and consists of nanoasperities. Therefore, the frictional properties of the macroscale-level rough surface are determined by the mechanical behaviors of nanoasperity…
Ni-based structural alloys in molten salt environments often experience simultaneous mechanical loading and corrosive attack, yet the mechanisms governing stress-corrosion interactions remain unclear. Prior studies largely emphasize tensile…
We report the effects of reducing surface asperity size at the nanometer scale on metallic surfaces by plasma-assisted surface modification processes using simulations and experiments. Molecular dynamics (MD) simulations were conducted by…
We have investigated theoretically the adsorption of molecules onto graphene with divacancy defects. Using ab-initio density functional calculations, we have found that O2, CO, N2, B2 and H2O molecules all interact strongly with a divacancy…
The adsorption of the chiral molecule lactic acid on chiral Pt surfaces is studied by Density Functional Theory calculations. First we study the adsorption of L-lactic acid on the flat Pt(111) surface. Using the oPBE-vdW functional which…
While the small sticking coefficient for molecular hydrogen on the Si(001) surface apparently requires a large energy barrier of adsorption, no such barrier is observed in desorption experiments. We have calculated the potential-energy…
We review the present state of understanding of solid friction at low velocities and for systems with negligibly small wear effects. We first analyze in detail the behavior of friction at interfaces between wacroscopic hard rough solids,…
We report measurements of the normal surface forces and friction forces between two mica surfaces separated by a nano-film of dicationic ionic liquid using a Surface Force Balance. The dicationic ionic liquid…
Organic friction modifiers (OFMs) are widely added to oil to reduce the boundary friction in many kinds of lubricants such as vehicle engine oils. At the contact area in machine elements, the OFMs form a self-assembled organic monolayer.…
To evaluate the radiation tolerance of nanocrystalline (NC) materials, the damage effects of Fe and W as typical body-centered cubic (BCC) metals under uniform irradiation are studied by a sequential multi-scale modelling framework. An…