A systematic investigation on the molecular behaviors of boron- or nitrogen-doped C40 clusterElectronic supplementary information (ESI) available: Heats of formation for all possible isomers of C38B2, C38N2 and C38BN. See http://www.rsc.org/suppdata/cp/b1/b111443c/

2002 ◽  
Vol 4 (12) ◽  
pp. 2546-2553 ◽  
Author(s):  
Xia Yang ◽  
Guichang Wang ◽  
Zhenfeng Shang ◽  
Yinming Pan ◽  
Zunsheng Cai ◽  
...  
Author(s):  
Prashant Singh ◽  
Fredrik Wrede ◽  
Andreas Hellander

Abstract Summary Discrete stochastic models of gene regulatory networks are fundamental tools for in silico study of stochastic gene regulatory networks. Likelihood-free inference and model exploration are critical applications to study a system using such models. However, the massive computational cost of complex, high-dimensional and stochastic modelling currently limits systematic investigation to relatively simple systems. Recently, machine-learning-assisted methods have shown great promise to handle larger, more complex models. To support both ease-of-use of this new class of methods, as well as their further development, we have developed the scalable inference, optimization and parameter exploration (Sciope) toolbox. Sciope is designed to support new algorithms for machine-learning-assisted model exploration and likelihood-free inference. Moreover, it is built ground up to easily leverage distributed and heterogeneous computational resources for convenient parallelism across platforms from workstations to clouds. Availability and implementation The Sciope Python3 toolbox is freely available on https://github.com/Sciope/Sciope, and has been tested on Linux, Windows and macOS platforms. Supplementary information Supplementary information is available at Bioinformatics online.


Author(s):  
B. B. Rath ◽  
J. E. O'Neal ◽  
R. J. Lederich

Addition of small amounts of erbium has a profound effect on recrystallization and grain growth in titanium. Erbium, because of its negligible solubility in titanium, precipitates in the titanium matrix as a finely dispersed second phase. The presence of this phase, depending on its average size, distribution, and volume fraction in titanium, strongly inhibits the migration of grain boundaries during recrystallization and grain growth, and thus produces ultimate grains of sub-micrometer dimensions. A systematic investigation has been conducted to study the isothermal grain growth in electrolytically pure titanium and titanium-erbium alloys (Er concentration ranging from 0-0.3 at.%) over the temperature range of 450 to 850°C by electron microscopy.


Author(s):  
A. Strojnik ◽  
J.W. Scholl ◽  
V. Bevc

The electron accelerator, as inserted between the electron source (injector) and the imaging column of the HVEM, is usually a strong lens and should be optimized in order to ensure high brightness over a wide range of accelerating voltages and illuminating conditions. This is especially true in the case of the STEM where the brightness directly determines the highest resolution attainable. In the past, the optical behavior of accelerators was usually determined for a particular configuration. During the development of the accelerator for the Arizona 1 MEV STEM, systematic investigation was made of the major optical properties for a variety of electrode configurations, number of stages N, accelerating voltages, 1 and 10 MEV, and a range of injection voltages ϕ0 = 1, 3, 10, 30, 100, 300 kV).


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