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Register a new userMolecular Dynamics Simulation of Friction in Xenon Films on a Silver Substrate
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We perform molecular dynamics simulations of friction for atomically thin Xe films sliding on Ag(111). We determine the inverse of the coefficient of friction (i.e. slip time) by direct calculation of the decay of the center of mass velocity after applying an external force, as well as from the velocity autocorrelation function. We find that the slip time exhibits a drop followed by a sharp increase in a range of coverage near one monolayer. The slip time then levels off with further coverage increases in agreement with previously reported experiments. Our simulations suggest that the friction found in this system is dominated by phonon excitations.
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In this work, the single-component Cu metallic glass was fabricated by the physical vapor deposition on the Zr (0001) crystal substrate at 100 K using the classical molecular dynamic simulation. The same deposition process was performed on the Cu (1 0 0) and Ni (1 0 0) crystal substrate for comparison, only the Cu crystal deposited layer with the fcc structure can be obtained. When depositing the Cu atoms on the Zr substrate at 300 K, the crystal structure was formed, which indicates that except the suitable substrate, low temperature is also a key factor for the amorphous structure formation. The Cu liquid quenching from 2000 K to 100 K were also simulated with the cooling rate 1012 K/s to form the Cu glass film in this work. The Cu metallic glass from the two different processes (physical vapor deposition and rapid thermal quenching from liquid) revealed the same radial distribution function and X-ray diffraction pattern, but the different microstructure from the coordination number and Voronoi tessellation analysis.
Yttrium Iron Garnet (YIG) and bismuth (Bi) substituted YIG (Bi0.1Y2.9Fe5O12, BYG) films are grown in-situ on single crystalline Gadolinium Gallium Garnet (GGG) substrates [with (100) and (111) orientations] using pulsed laser deposition (PLD) technique. As the orientation of the Bi-YIG film changes from (100) to (111), the lattice constant is enhanced from 12.384 {AA} to 12.401 {AA} due to orientation dependent distribution of Bi3+ ions at dodecahedral sites in the lattice cell. Atomic force microscopy (AFM) images show smooth film surfaces with roughness 0.308 nm in Bi-YIG (111). The change in substrate orientation leads to the modification of Gilbert damping which, in turn, gives rise to the enhancement of ferromagnetic resonance (FMR) line width. The best values of Gilbert damping are found to be (0.54)*10-4, for YIG (100) and (6.27)*10-4, for Bi-YIG (111) oriented films. Angle variation measurements of the Hr are also performed, that shows a four-fold symmetry for the resonance field in the (100) grown film. In addition, the value of effective magnetization (4{pi}Meff) and extrinsic linewidth ({Delta}H0) are observed to be dependent on substrate orientation. Hence PLD growth can assist single-crystalline YIG and BYG films with a perfect interface that can be used for spintronics and related device applications.
We study the thermal relaxation dynamics of VO$_2$ films after the ultrafast photo-induced metal-insulator transition for two VO$_2$ film samples grown on Al$_2$O$_3$ and TiO$_2$ substrates. We find two orders of magnitude difference in the recovery time (a few ns for the VO$_2$/Al$_2$O$_3$ sample vs. hundreds of ns for the VO$_2$/TiO$_2$ sample). We present a theoretical model that accurately describes the MIT thermal properties and interpret the experimental measurements. We obtain quantitative results that show how the microstructure of the VO$_2$ film and the thermal conductivity of the interface between the VO$_2$ film and the substrate affect long time-scale recovery dynamics. We also obtain a simple analytic relationship between the recovery time-scale and some of the film parameters.
Molecular dynamics simulations performed on <110> Cu nanopillars revealed significant difference in deformation behavior of nanopillars with and without twin boundary. The plastic deformation in single crystal Cu nanopillar without twin boundary was dominated by twinning, whereas the introduction of twin boundary changed the deformation mode from twinning to slip consisting of leading partial followed by trailing partial dislocations. This difference in deformation behavior has been attributed to the formation of stair-rod dislocation and its dissociation in the twinned nanopillars.
BiFeO3 thin films have been deposited on Pt/sapphire and Pt/Ti/SiO2/Si substrates with pulsed laser deposition using the same growth conditions, respectively. Au was sputtered as the top electrode. The microscopic structure of the thin film varies by changing the underlying substrate. Thin films on Pt/sapphire are not resistively switchable due to the formation of Schottky contacts at both the top and the bottom interface. However, thin films on Pt/Ti/SiO2/Si exhibit an obvious resistive switching behavior under forward bias. The conduction mechanisms in BiFeO3 thin films on Pt/sapphire and Pt/Ti/SiO2/Si substrates are discussed to understand the different resistive switching behaviors.
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