Explore the vast range of titles available.

We report a computational study of the bending deformation of two-dimensional nanoribbons by classical molecular dynamics methods. Two-dimensional double transition metal carbides, together with monometallic ones, belong to the family of novel nanomaterials, so-called MXenes. Recently, it was reported that within molecular dynamics simulations, Ti4C3 MXene nanoribbons demonstrated higher resistance to bending deformation than thinner Ti2C MXene and other two-dimensional materials, such as graphene and molybdenum disulfide. Here, we apply a similar method to that used in a previous study to investigate the behavior of Mo2Ti2C3 nanoribbon under bending deformation, in comparison to the Ti4C3 sample that has a similar structure. Our calculations show that Mo2Ti2C3 is characterized by higher bending rigidity at DTi2Mo2C3≈92.15 eV than monometallic Ti4C3 nanoribbon at DTi4C3≈72.01 eV, which has a similar thickness. Moreover, approximately the same magnitude of critical central deflection of the nanoribbon before fracture was observed for both Mo2Ti2C3 and Ti4C3 samples, wc≈1.7 nm, while Mo2Ti2C3 MXene is characterized by almost two times higher critical value of related external force.

Herein, we describe the design of a laboratory setup operating as a high-precision tribometer. The whole design procedure is presented, starting with a concept, followed by the creation of an exact 3D model and final assembly of all functional parts. The functional idea of the setup is based on a previously designed device that was used to perform more simple tasks. A series of experiments revealed certain disadvantages of the initial setup, for which pertinent solutions were found and implemented. Processing and correction of the data obtained from the device are demonstrated with an example involving backlash and signal drift errors. Correction of both linear and non-linear signal drift errors is considered. We also show that, depending on the research interests, the developed equipment can be further modified by alternating its peripheral parts without changing the main frame of the device.

Thermal stability is an important feature of the materials used as components and parts of sensors and other devices of nanoelectronics. Here we report the results of the computational study of the thermal stability of the triple layered Au@Pt@Au core-shell nanoparticles, which are promising materials for H2O2 bi-directional sensing. A distinct feature of the considered sample is the raspberry-like shape, due to the presence of Au nanoprotuberances on its surface. The thermal stability and melting of the samples were studied within classical molecular dynamics simulations. Interatomic forces were computed within the embedded atom method. To investigate the thermal properties of Au@Pt@Au nanoparticles, structural parameters such as Lindemann indexes, radial distribution functions, linear distributions of concentration, and atomistic configurations were calculated. As the performed simulations showed, the raspberry-like structure of the nanoparticle was preserved up to approximately 600 K, while the general core-shell structure was maintained up to approximately 900 K. At higher temperatures, the destruction of the initial fcc crystal structure and core-shell composition was observed for both considered samples. As Au@Pt@Au nanoparticles demonstrated high sensing performance due to their unique structure, the obtained results may be useful for the further design and fabrication of the nanoelectronic devices that are required to work within a certain range of temperatures.

We consider analytical, numerical, and experimental approaches developed to describe the mechanical contact between a rigid indenter and an elastic half-space coated with an elastic layer. Numerical simulations of the indentation process were performed using the recently generalized boundary element method (BEM). Analytical approximation of the dependence of contact stiffness on the indenter diameter was used to verify the results of BEM simulations. Adhesive contacts of hard indenters of different shapes with soft rubber layers have been experimentally studied using specially designed laboratory equipment. The comparison of the results from all three implemented methods shows good agreement of the obtained data, thus supporting the generalized BEM simulation technique developed for the JKR limit of very small range of action of adhesive forces. It was shown that the half-space approximation is asymptotical at high ratios of layer thickness h to cylindrical indenter diameter D; however, it is very slowly. Thus, at the ratio h/D = 3.22, the half-space approximation leads to 20% lower contact stiffness compared with that obtained for finite thickness using both an experiment and simulation.

The quasi-static regime of friction between a rigid steel indenter and a soft elastomer with high adhesion is studied experimentally. An analysis of the formally calculated dependencies of a friction coefficient on an external load (normal force) shows that the friction coefficient monotonically decreases with an increase in the load, following a power law relationship. Over the entire range of contact loads, a friction mode is realized in which constant shear stresses are maintained in the tangential contact, which corresponds to the “adhesive” friction mode. In this mode, Amonton’s law is inapplicable, and the friction coefficient loses its original meaning. Some classical works, which show the existence of a transition between “adhesive” and “normal” friction, were analyzed. It is shown that, in fact, there is no such transition. A computer simulation of the indentation process was carried out within the framework of the boundary element method, which confirmed the experimental results.

AbstractA phenomenological model is proposed for describing the hysteretic behavior in an adhesive contact between a soft elastomer and a hard indenter upon a change in the indenter direction of motion. The model takes into account the increase in the contact strength with increasing contact time. Dependences of the elastic force and the contact radius on the indentation depth are obtained. It is shown that the adhesive strength of the contact increases with the indentation depth. An experiment on intrusion of a spherical steel indenter into a rubber sheet of a fixed thickness is performed. It is shown that the experimental and theoretical results coincide qualitatively.

AbstractThe adhesive contact between a spherical steel indenter and a fragment of a transparent soft rubber sheet fixed on a glass substrate has been studied experimentally. Comparison of experimental data with the results of analytic theory and numerical simulation has revealed quantitative agreement of the results of these three approaches. We have also studied the effect of the duration of the contact between the indenter and the indentation depth on its adhesion strength. The peculiarities of experiments performed with a controllable displacement and a controllable force are considered.

We report the results of atomistic simulations of friction between two-dimensional titanium carbide Ti2C (MXene) and a silver nanoparticle located on its surface. Numerical experiments were performed within classical molecular dynamics methods using a previously developed scheme for simulations of interactions between MXenes and metal nanoparticles. In the computer experiments performed, both tangential and shear forces were applied to the Ag nanoparticle to initiate its sliding on the surface of the Ti2C MXene. During the simulations, the nanotribological parameters of the studied system, such as the friction force, contact area, friction coefficient, and tangential shear, were computed. It is shown that, for the studied system, the friction coefficient does not depend on the velocity of nanoparticle movement or the contact area. Additionally, the sliding friction of the nanoparticle on the flexible substrate was considered. The latter case is characterized by a larger friction coefficient and contact area due to the formation of wrinkles on the surface of the substrate.

The magnetic response related to the paramagnetic Meissner effect (PME) is studied in a high quality single crystal ZrB12 with non-monotonic vortex-vortex interactions. We observe the expulsion and penetration of magnetic flux in the form of vortex clusters with increasing temperature. A vortex phase diagram is constructed, and shows that the PME can be explained by considering the interplay among the flux compression, the different temperature dependencies of the vortex-vortex and the vortex-pin interactions, and thermal fluctuations. Such a scenario is in good agreement with the results of magnetic relaxation measurements.

The tangential adhesive contact (friction) between a rigid steel indenter and a soft elastomer at shallow indentation depths, where the contact exists mainly due to adhesion, is investigated experimentally. The dependencies of friction force, contact area, average tangential stresses, and the coordinates of the front and back edges of the contact boundary on the indenter displacement are studied. It is found that first a stick–slip mode of friction is established, which is then replaced by another, more complex mode where the phase of a global slip of the elastomer on the indenter surface is absent. In both regimes, the evolutions of friction force and contact area are analyzed in detail.