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Energetic particle irradiation of solids can cause surface ultra-smoothening, self-organized nanoscale pattern formation, or degradation of the structural integrity of nuclear reactor components. Periodic patterns including high-aspect ratio quantum dots, with occasional long-range order and characteristic spacing as small as 7 nm, have stimulated interest in this method as a means of sub-lithographic nanofabrication. Despite intensive research there is little fundamental understanding of the mechanisms governing the selection of smooth or patterned surfaces, and precisely which physical effects cause observed transitions between different regimes has remained a matter of speculation. Here we report the first prediction of the mechanism governing the transition from corrugated surfaces to flatness, using only parameter-free molecular dynamics simulations of single-ion impact induced crater formation as input into a multi-scale analysis, and showing good agreement with experiment. Our results overturn the paradigm attributing these phenomena to the removal of target atoms via sputter erosion. Instead, the mechanism dominating both stability and instability is shown to be the impact-induced redistribution of target atoms that are not sputtered away, with erosive effects being essentially irrelevant. The predictions are relevant in the context of tungsten plasma-facing fusion reactor walls which, despite a sputter erosion rate that is essentially zero, develop, under some conditions, a mysterious nanoscale topography leading to surface degradation. Our results suggest that degradation processes originating in impact-induced target atom redistribution effects may be important, and hence that an extremely low sputter erosion rate is an insufficient design criterion for morphologically stable solid surfaces under energetic particle irradiation.
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In recent years, observations of highly-ordered, hexagonal arrays of self-organized nanostructures on binary or impurity-laced targets under normal-incidence ion irradiation have excited interest in this phenomenon as a potential route to high-throughput, low-cost manufacture of nanoscale devices or nanostructured coatings. The currently-prominent explanation for these structures is a morphological instability driven by ion erosion discovered by Bradley and Shipman; however, recent parameter estimates via molecular dynamics simulations suggest that this erosive instability may not be active for the representative GaSb system in which hexagonal structures were first observed. Motivated by experimental and numerical evidence suggesting the possible importance of phase separation in ion-irradiated compounds, we here generalize the Bradley-Shipman theory to include the effect of ion-assisted phase separation. The resulting system admits a chemically-driven finite-wavelength instability that can explain the order of observed patterns even when the erosive Bradley-Shipman instability, and in a relevant simplifying limit, provides an intuitive instability criteria that agrees qualitatively with experimental observations on pattern wavelengths. Finally, we identify a characteristic experimental signature that distinguishes the chemical and morphological instabilities, and highlights the need for specific additional experimental data on the GaSb system.
The authors report micro-Raman investigation of changes in the single and bilayer graphene crystal lattice induced by the low and medium energy electron-beam irradiation (5 and 20 keV). It was found that the radiation exposures results in appearance of the strong disorder D band around 1345 1/cm indicating damage to the lattice. The D and G peak evolution with the increasing radiation dose follows the amorphization trajectory, which suggests graphenes transformation to the nanocrystalline, and then to amorphous form. The results have important implications for graphene characterization and device fabrication, which rely on the electron microscopy and focused ion beam processing.
Nanocavities in Ge(111) created by 5 keV Xe ion irradiation are characterized by ex situ transmission electron microscopy and Rutherford backscattering spectrometry. Nanocavities nucleate near the surface and then undergo thermal migration. Nanocavities with average diameter of 10 nm and areal density of 5.1 x 10-3 nm-2 are observed at 773 K, while nanocavities with average diameter of 2.9 nm and areal density of 3.1 x 10-3 nm-2 are observed at 673 K. The estimated Xe gas pressure inside the nanocavities is 0.035 GPa at 773 K, much smaller than the estimated equilibrium pressure 0.38 GPa. This result suggests that the nanocavities grow beyond equilibrium size at 773 K. The nanocavities are annihilated at the surface to form surface pits by the interaction of displacement cascades of keV Xe ions with the nanocavities. These pits are characterized by in situ scanning tunneling microscopy. Pits are created on Ge(111) and Ge(001) at temperatures ~ 523-578 K by keV Xe ions even when less than a bilayer (monolayer) of surface material is removed.
We develop a method to efficiently construct phase diagrams using machine learning. Uncertainty sampling (US) in active learning is utilized to intensively sample around phase boundaries. Here, we demonstrate constructions of three known experimental phase diagrams by the US approach. Compared with random sampling, the US approach decreases the number of sampling points to about 20%. In particular, the reduction rate is pronounced in more complicated phase diagrams. Furthermore, we show that using the US approach, undetected new phase can be rapidly found, and smaller number of initial sampling points are sufficient. Thus, we conclude that the US approach is useful to construct complicated phase diagrams from scratch and will be an essential tool in materials science.
Critical lateral pressure for a pore formation and phase diagram of porous membrane are derived analytically as functions of the microscopic parameters of the lipid chains. The derivation exploits path-integral calculation of the free energy of the ensembles of semi-flexible strings and rigid rods that mimic the hydrophobic tails of lipids in the lipid bilayers and bolalipid membranes respectively. Analytical expressions for the area stretch/compressibility moduli of the membranes are derived in both models.
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