Hybrid mean field and real space model for vacancy diffusion-mediated annealing of radiation defects

In a fusion or advanced fission reactor, high energy neutrons induce the formation of extended defect clusters in structural component materials, degrading their properties over time. Such damage can be partially recovered via a thermal annealing treatment. Therefore, for the design and operation of fusion and advanced fission nuclear energy systems it is critical to estimate and predict the annealing timescales for arbitrary configurations of defect clusters. In our earlier paper [I. Rovelli, S. L. Dudarev, and A. P. Sutton, J. Mech. Phys. Solids 103, 121 (2017)] we extended the Green function formulation by Gu, Xiang et al. [Y. Gu, Y. Xiang, S. S. Quek, and D. J. Srolovitz, J. Mech. Phys. Solids 83, 319 (2015)] for the climb of curved dislocations, to include the evaporation and growth of cavities and vacancy clusters, and take into account the effect of free surfaces. In this work, we further develop this model to include the effect of radiation defects that are below the experimental detection limit, via a mean field approach coupled with an explicit treatment of the evolution of discrete defect clusters distributed in real space. We show that randomly distributed small defects screen diffusive interactions between larger discrete clusters. The evolution of the coupled system is modelled self-consistently. We also simulate the evolution of defects in an infinite laterally extended thin film, using the Ewald summation of screened Yukawa-type diffusive propagators

Molecular line survey of Sagittarius B2(M) from 330 to 355 GHz and comparison with Sagittarius B2(N)

We have surveyed molecular line emission from Sgr B2 over the range from 330 to 355 GHz at the position designated Sgr B2(M). This position is prominent in millimeter continuum maps of the region and is associated with a compact H II region, a hot NH_3 core, and sources of H_2O and OH maser emission. We have also obtained observations contrasting the submillimeter molecular emission from Sgr B2(M) and Sgr B2(N), an additional center of activity thought to be a dense protostellar core. The picture of the interstellar chemistry of these regions which we derive is substantially different from that determined from previous observations at lower frequencies and with lower spatial resolution. In particular, molecules such as SO_2 and CH_3OH dominate the submillimeter spectrum to a much greater extent than they do the low-frequency observations. Much of this difference is due to the higher spatial resolution of the submillimeter observations, which makes them much more sensitive to emission from compact, dense cores. The millimeter data were most effective at sampling material in the surrounding lower density regions. The chemistry of the core sources in Sgr B2 appears similar to that of other dense cores, such as the core of the Orion molecular cloud. The spectral differences between Sgr B2(M) and Sgr B2(N) primarily relate to differences in excitation and column density. For most molecular species the northern source (N) has a column density significantly higher than that found in the middle source (M), often by a factor of about 5. The principal exceptions are the species SO and SO_2 which seem to be substantially more abundant in the middle source. Generally excitation seems to be higher in the northern source, suggesting a somewhat higher density core, although there are some departures indicating that the excitation situation is more complicated. High optical depths in many of the submillimeter transitions systematically bias the interpretation of both column densities and excitation. Many of the millimeter lines may also have high optical depths, particularly those lines arising from the compact core sources

Temperature dependence of surface reconstructions of Au on Pd(110)

Surface reconstructions of Au film on Pd(110) substrate are studied using a local Einstein approximation to quasiharmonic theory with the Sutton-Chen interatomic potential. Temperature dependent surface free energies for different coverages and surface structures are calculated. Experimentally observed transformations from $(1\times1)$ to $(1 \times 2)$ and $(1 \times 3)$ structures can be explained in the framework of this model. Also conditions for Stranski-Krastanov growth mode are found to comply with experiments. The domain of validity of the model neglecting mixing entropy is analyzed.Comment: 7 pages, REVTeX two-column format, 3 postscript figures available on request from [email protected] To appear in Phys. Rev. Letter

The Dreaming Variational Autoencoder for Reinforcement Learning Environments

Reinforcement learning has shown great potential in generalizing over raw sensory data using only a single neural network for value optimization. There are several challenges in the current state-of-the-art reinforcement learning algorithms that prevent them from converging towards the global optima. It is likely that the solution to these problems lies in short- and long-term planning, exploration and memory management for reinforcement learning algorithms. Games are often used to benchmark reinforcement learning algorithms as they provide a flexible, reproducible, and easy to control environment. Regardless, few games feature a state-space where results in exploration, memory, and planning are easily perceived. This paper presents The Dreaming Variational Autoencoder (DVAE), a neural network based generative modeling architecture for exploration in environments with sparse feedback. We further present Deep Maze, a novel and flexible maze engine that challenges DVAE in partial and fully-observable state-spaces, long-horizon tasks, and deterministic and stochastic problems. We show initial findings and encourage further work in reinforcement learning driven by generative exploration.Comment: Best Student Paper Award, Proceedings of the 38th SGAI International Conference on Artificial Intelligence, Cambridge, UK, 2018, Artificial Intelligence XXXV, 201

Theory and Simulation of the diffusion of kinks on dislocations in bcc metals

Isolated kinks on thermally fluctuating (1/2) screw, edge and (1/2) edge dislocations in bcc iron are simulated under zero stress conditions using molecular dynamics (MD). Kinks are seen to perform stochastic motion in a potential landscape that depends on the dislocation character and geometry, and their motion provides fresh insight into the coupling of dislocations to a heat bath. The kink formation energy, migration barrier and friction parameter are deduced from the simulations. A discrete Frenkel-Kontorova-Langevin (FKL) model is able to reproduce the coarse grained data from MD at a fraction of the computational cost, without assuming an a priori temperature dependence beyond the fluctuation-dissipation theorem. Analytic results reveal that discreteness effects play an essential r\^ole in thermally activated dislocation glide, revealing the existence of a crucial intermediate length scale between molecular and dislocation dynamics. The model is used to investigate dislocation motion under the vanishingly small stress levels found in the evolution of dislocation microstructures in irradiated materials

"Ask, acquire, appraise": A study of lis practitioners participating in an EBLIP continuing education course

Objective: The project sought to examine the aspects of the question answering process in an evidence based library and information practice (EBLIP) context by presenting the questions asked, articles selected, and checklists used by an opportunistic sample of Australian and New Zealand library and information professionals from multiple library and information sectors participating in the "Evidence Based Library and Information Practice: Delivering Services That Shine" (EBLIP-Gloss) FOLIOz e-learning course. Methods: The researchers analyzed the "ask," "acquire," and "appraise" tasks completed by twenty-nine library and information professionals working in Australia or New Zealand. Questions were categorized by EBLIP domain, articles were examined to identify any comparisons, and checklists were collated by frequency. Results: Questions fell within each of the six EBLIP domains, with management being the most common. Timeliness, relevance, and accessibility were stronger determinants of article selection than rigour or study design. Relevance, domain, and applicability were the key determinants in selecting a checklist. Conclusion: This small-scale study exemplifies the EBLIP process for a self-selecting group of library and information professionals working in Australia and New Zealand. It provides a snapshot of the types of questions that library and information practitioners ask, and the types of articles and checklists found to be useful. Participants demonstrated a preference for literature and checklists originating from within the library and information science (LIS) field, reinforcing the imperative for LIS professionals to contribute to EBLIP research

Impurity segregation in graphene nanoribbons

The electronic properties of low-dimensional materials can be engineered by doping, but in the case of graphene nanoribbons (GNR) the proximity of two symmetry-breaking edges introduces an additional dependence on the location of an impurity across the width of the ribbon. This introduces energetically favorable locations for impurities, leading to a degree of spatial segregation in the impurity concentration. We develop a simple model to calculate the change in energy of a GNR system with an arbitrary impurity as that impurity is moved across the ribbon and validate its findings by comparison with ab initio calculations. Although our results agree with previous works predicting the dominance of edge disorder in GNR, we argue that the distribution of adsorbed impurities across a ribbon may be controllable by external factors, namely an applied electric field. We propose that this control over impurity segregation may allow manipulation and fine-tuning of the magnetic and transport properties of GNRs.Comment: 5 pages, 4 figures, submitte

Nonuniform Fast Fourier Transforms Using Min-Max Interpolation

The fast Fourier transform (FFT) is used widely in signal processing for efficient computation of the FT of finite-length signals over a set of uniformly spaced frequency locations. However, in many applications, one requires nonuniform sampling in the frequency domain, i.e., a nonuniform FT. Several papers have described fast approximations for the nonuniform FT based on interpolating an oversampled FFT. This paper presents an interpolation method for the nonuniform FT that is optimal in the min-max sense of minimizing the worst-case approximation error over all signals of unit norm. The proposed method easily generalizes to multidimensional signals. Numerical results show that the min-max approach provides substantially lower approximation errors than conventional interpolation methods. The min-max criterion is also useful for optimizing the parameters of interpolation kernels such as the Kaiser-Bessel function.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/85840/1/Fessler70.pd