Elinvar effect in β−\beta-Ti simulated by on-the-fly trained moment tensor potential

A combination of quantum mechanics calculations with machine learning (ML) techniques can lead to a paradigm shift in our ability to predict materials properties from first principles. Here we show that on-the-fly training of an interatomic potential described through moment tensors provides the same accuracy as state-of-the-art {\it ab inito} molecular dynamics in predicting high-temperature elastic properties of materials with two orders of magnitude less computational effort. Using the technique, we investigate high-temperature bcc phase of titanium and predict very weak, Elinvar, temperature dependence of its elastic moduli, similar to the behavior of the so-called GUM Ti-based alloys [T. Sato {\ it et al.}, Science {\bf 300}, 464 (2003)]. Given the fact that GUM alloys have complex chemical compositions and operate at room temperature, Elinvar properties of elemental bcc-Ti observed in the wide temperature interval 1100--1700 K is unique.Comment: 15 pages, 4 figure

A Measurement of the Absorption of Liquid Argon Scintillation Light by Dissolved Nitrogen at the Part-Per-Million Level

We report on a measurement of the absorption length of scintillation light in liquid argon due to dissolved nitrogen at the part-per-million (ppm) level. We inject controlled quantities of nitrogen into a high purity volume of liquid argon and monitor the light yield from an alpha source. The source is placed at different distances from a cryogenic photomultiplier tube assembly. By comparing the light yield from each position we extract the absorption cross section of nitrogen. We find that nitrogen absorbs argon scintillation light with strength of $(1.51\pm 0.15)\times10^{-4} \;\mathrm{cm^{-1} ppm^{-1}}$, corresponding to an absorption cross section of $(7.14 \pm 0.74)\times10^{-21}\;\mathrm{cm^{2} molecule^{-1}}$. We obtain the relationship between absorption length and nitrogen concentration over the 0 to 50 ppm range and discuss the implications for the design and data analysis of future large liquid argon time projection chamber (LArTPC) detectors. Our results indicate that for a current-generation LArTPC, where a concentration of 2 parts per million of nitrogen is expected, the attenuation length due to nitrogen will be $30 \pm 3$ meters.Comment: v2: Correct mistake in molecular absorption cross section calculation, and a minor typo in fig

Discrete Fourier analysis with lattices on planar domains

A discrete Fourier analysis associated with translation lattices is developed recently by the authors. It permits two lattices, one determining the integral domain and the other determining the family of exponential functions. Possible choices of lattices are discussed in the case of lattices that tile \RR^2 and several new results on cubature and interpolation by trigonometric, as well as algebraic, polynomials are obtained

Least Error Sample Distribution Function

Email: The empirical distribution function (ecdf) is unbiased in the usual sense, but shows certain order bias. Pyke suggested discrete ecdf using expectations of order statistics. Piecewise constant optimal ecdf saves 200%/N of sample size N. Results are compared with linear interpolation for U(0, 1), which require up to sixfold shorter samples at the same accuracy

Multi-Resolution Functional ANOVA for Large-Scale, Many-Input Computer Experiments

The Gaussian process is a standard tool for building emulators for both deterministic and stochastic computer experiments. However, application of Gaussian process models is greatly limited in practice, particularly for large-scale and many-input computer experiments that have become typical. We propose a multi-resolution functional ANOVA model as a computationally feasible emulation alternative. More generally, this model can be used for large-scale and many-input non-linear regression problems. An overlapping group lasso approach is used for estimation, ensuring computational feasibility in a large-scale and many-input setting. New results on consistency and inference for the (potentially overlapping) group lasso in a high-dimensional setting are developed and applied to the proposed multi-resolution functional ANOVA model. Importantly, these results allow us to quantify the uncertainty in our predictions. Numerical examples demonstrate that the proposed model enjoys marked computational advantages. Data capabilities, both in terms of sample size and dimension, meet or exceed best available emulation tools while meeting or exceeding emulation accuracy

GPU acceleration of a fully 3D iterative reconstruction software for PET using CUDA

Proceeding of: 2009 IEEE Nuclear Science Symposium Conference Record (NSS/MIC), Orlando, Florida, 25-31 October 2009A CUDA implementation of the existing software FIRST (Fast Iterative Reconstruction Software for (PET) Tomography) is presented. This implementation uses consumer graphics processing units (GPUs) to accelerate the compute-intensive parts of the reconstruction: forward and backward projection. FIRST was originally developed in FORTRAN, and it has been migrated to C language to be used with NVIDIA C for CUDA, as well as for a straightforward implementation and performance comparison between the C versions of the code running on the CPU and on the GPU. We measured the execution time of the CUDA version compared to the fastest available CPU. The CUDA implementation includes a loop re-ordering and an optimized memory allocation, which improves even more the performance of the reconstruction on the GPUs.This work was supported in part by MEC (FPA2007-62216), CDTEAM (Programa CENIT, Ministerio de Industria), UCM (Grupos UCM, 910059), CPAN (Consolider-Ingenio 2010) CSPD-2007-00042 and the RECAVA-RETIC networ

A three-dimensional current meter for estuarine applications

A curr ent meter that is capable of measuring the high-frequency fluctuations of the three-dimensional velocity vector has been developed. The meter works on a doppler-shift principle. At high velocities, the meter has been shown to have an accuracy of better than 3%