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Register a new userCarbon Schwarzites Behavior Under Ballistic Impacts
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Schwarzites are 3D crystalline porous materials exhibiting the shape of Triply Periodic Minimal Surfaces (TPMS). They possess negative Gaussian curvature, created by the presence of rings with more than six sp2-hybridized carbon atoms. Recently, new routes to their synthesis have been proposed. Due to its foam-like structure, schwarzites are interesting for mechanical energy absorption applications. In this work, we investigate through fully atomistic reactive molecular dynamics the mechanical response under ballistic impacts of four structures from primitive (P) and gyroid (G) families (two structures within each family). The two structures in the same family differ mainly by the ratio of hexagons to octagons, where this ratio increases the flatness of the structures. Although the penetration depth values are higher in the flatter structures (P8bal and G8bal), the absorbed kinetic energy by them is considerably higher, which yields them a better energy-absorption performance.
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Multiwalled carbon nanotubes are shown to be ballistic conductors at room temperature, with mean free paths of the order of tens of microns. These experiments follow and extend the original experiments by Frank et al (Science, 280 1744 1998) including in-situ electron microscopy experiments and a detailed analysis of the length dependence of the resistance. The per unit length resistance r < 100 Ohm/micron, indicating free paths l > 65 microns, unambiguously demonstrate ballistic conduction at room temperature up to macroscopic distances. The nanotube-metal contact resistances are in the range 0.1-1 kOhm micron. Contact scattering can explain why the measured conductances are about half the expected theoretical value of 2 G0 . For V>0.1V the conductance rises linearly (dG/dV~0.3 G0 /V) reflecting the linear increase in the density-of-states in a metallic nanotube above the energy gap. Increased resistances (r =2- 10 k Ohm/micron) and anomalous I-V dependences result from impurities and surfactants on the tubes.Evidence is presented that ballistic transport occurs in undoped and undamaged tubed for which the top layer is metallic and the next layer is semiconducting. The diffusive properties of lithographically contacted multiwalled nanotubes most likely result from purification and other processing steps that damage and dope the nanotubes thereby making them structurally and electronically different than the pristine nanotubes investigated here.
We investigated through fully atomistic molecular dynamics simulations, the mechanical behavior (compressive and tensile) and energy absorption properties of two families (primitive (P688 and P8bal) and gyroid (G688 and G8bal)) of carbon-based schwarzites. Our results show that all schwarzites can be compressed (with almost total elastic recovery) without fracture to more than 50%, one of them can be even remarkably compressed up to 80%. One of the structures (G8bal) presents negative Poissons ratio value (auxetic behavior). The crush force efficiency, the stroke efficiency and the specific energy absorption (SEA) values show that schwarzites can be effective energy absorber materials. Although the same level of deformation without fracture observed in the compressive case is not observed for the tensile case, it is still very high (30-40%). The fracture dynamics show extensive structural reconstructions with the formation of linear atomic chains (LACs).
We have characterized the frictional properties of nanostructured (ns) carbon films grown by Supersonic Cluster Beam Deposition (SCBD) via an Atomic Force-Friction Force Microscope (AFM-FFM). The experimental data are discussed on the basis of a modified Amontons law for friction, stating a linear dependence of friction on load plus an adhesive offset accounting for a finite friction force in the limit of null total applied load. Molecular Dynamics simulations of the interaction of the AFM tip with the nanostructured carbon confirm the validity of the friction model used for this system. Experimental results show that the friction coefficient is not influenced by the nanostructure of the films nor by the relative humidity. On the other hand the adhesion coefficient depends on these parameters.
We use time-resolved measurement and modeling to study the spin-torque induced motion of a domain wall in perpendicular anisotropy magnets. In disc of diameters between 70 and 100 nm, the wall drifts across the disc with pronounced back-and-forth oscillations that arise because the wall moves in the Walker regime. Several switching paths occur stochastically and lead to distinct switching durations. The wall can cross the disc center either in a ballistic manner or with variably marked oscillations before and after the crossing. The crossing of the center can even occur multiple times if a vertical Bloch line nucleates within the wall. The wall motion is analyzed using a collective coordinate model parametrized by the wall position $q$ and the tilt $phi$ of its in-plane magnetization projection. The dynamics results from the stretch field, which describes the affinity of the wall to reduce its length and the wall stiffness field describing the wall tendency to reduce dipolar energy by rotating its tilt. The wall oscillations result from the continuous exchange of energy between to the two degrees of freedom $q$ and $phi$. The stochasticity of the wall dynamics can be understood from the concept of the retention pond: a region in the $q-phi$ space in which walls are transiently bound to the disc center. Walls having trajectories close to the pond must circumvent it and therefore have longer propagation times. The retention pond disappears for a disc diameter of typically 40 nm: the wall then moves in a ballistic manner irrespective of the dynamics of its tilt. The propagation time is then robust against fluctuations hence reproducible.
Experimental studies established that calcium undergoes several counterintuitive transitions under pressure: fcc rightarrow bcc rightarrow simple cubic rightarrow Ca-IV rightarrow Ca-V, and becomes a good superconductor in the simple cubic and higher-pressure phases. Here, using ab initio evolutionary simulations, we explore the behavior of Ca under pressure and find a number of new phases. Our structural sequence differs from the traditional picture for Ca, but is similar to that for Sr. The {beta}-tin (I41/amd) structure, rather than simple cubic, is predicted to be the theoretical ground state at 0 K and 33-71 GPa. This structure can be represented as a large distortion of the simple cubic structure, just as the higher-pressure phases stable between 71 and 134 GPa. The structure of Ca-V, stable above 134 GPa, is a complex host-guest structure. According to our calculations, the predicted phases are superconductors with Tc increasing under pressure and reaching ~20 K at 120 GPa, in good agreement with experiment.
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