Design and performance study of phase‐locked loop using fractional‐order loop filter

The present work reports the realization of an analog fractional‐order phase‐locked loop (FPLL) using a fractional capacitor. The expressions for bandwidth, capture range, and lock range of the FPLL have been derived analytically and then compared with the experimental observations using LM565 IC. It has been observed that bandwidth and capture range can be extended by using FPLL. It has also been found that FPLL can provide faster response and lower phase error at the time of switching compared to its integer‐order counterpart. Copyright © 2014 John Wiley & Sons, Ltd.     

Coupling in situ experiments and modeling – Opportunities for data fusion,machine learning,and discovery of emergent behavior

This paper reviews recent studies, that not only includes both experiments and modeling components, but celebrates a close coupling between these techniques, in order to provide insights into the plasticity and failure of polycrystalline metals. Examples are provided of studies across multiple-scales, including, but not limited to, density functional theory combined with atom probe tomography, molecular dynamics combined with in situ transmission electron miscopy, discrete dislocation dynamics combined with nanopillars experiments, crystal plasticity combined with digital image correlation, and crystal plasticity combined with in situ high energy X-ray diffraction. The close synergy between in situ experiments and modeling provides new opportunities for model calibration, verification, and validation, by providing direct means of comparison, thus removing aspects of epistemic uncertainty in the approach. Further, data fusion between in situ experimental and model-based data, along with data driven approaches, provides a paradigm shift for determining the emergent behavior of deformation and failure, which is the foundation that underpins the mechanical behavior of polycrystalline materials.     

Occurrence and diversity of Listeria spp. in seafood processing plant environments

Listeria contamination in processing plant environments is a major issue for the seafood industry worldwide; faster and more reliable results are therefore desired for early detection and monitoring of environmental Listeria spp. This study aimed to gain a better understanding of the prevalence and diversity of Listeria spp., and to evaluate a rapid detection method, the 3M Molecular Detection Assay (MDA) Listeria, for its ability to detect Listeria spp. in environmental samples from seafood processing plants. Duplicate environmental sponge samples (n = 444) were collected from 152 different sites within three seafood processing plants, and analyzed for Listeria spp. by the MDA method (after 26 and 48 h of enrichment) and the U.S. Food and Drug Administration Bacteriological Analytical Manual method. Overall, detection of Listeria spp. by the two methods did not differ significantly (p > 0.05); 11 (4.9%) and 13 (5.9%) samples were positive for Listeria spp. by the MDA and FDA-BAM method, respectively. The sensitivity of the MDS was 87.0% (95% CI: 77.4–96.6%), specificity was 97.6% (95% CI: 95.5–99.7%), accuracy was 95.3%, and the positive predictive value was 89.4% (95% CI: 80.5–98.2%). Classification of 19 Listeria isolates by partial SigB sequencing analysis identified three allelic types. Twelve of these isolates were ATs 58 and 60 which were classified as Listeria monocytogenes lineage I and serotypes 1/2b, 3b, 4b, 4d, 4e, by multiplex-PCR serotyping. Six Listeria isolates were classified as Listeria innocua (AT31). Our data show that the 3M Molecular Detection Assay Listeria provides rapid and reliable results for detection and monitoring of Listeria spp., which are important for seafood processing plants. Effective Listeria monitoring programs will allow for improved development of Listeria control measures in order to minimize cross-contamination in finished products.     

Grain size dependence of hardness in nanocrystalline silicon carbide

The response of nanocrystalline silicon carbide (nc-SiC) to nanoindentation is investigated using molecular dynamics (MD) simulation. It is found that the hardness of the nc-SiC decreases with decreasing grain size, showing an inverse Hall-Petch relationship. The behavior is primarily attributed to the reduced number of intact covalent bonds with grain refinement. Dislocation nucleation and growth in nc-SiC are strongly suppressed by the grain boundaries (GBs). In addition to the dislocation region in the grains, the indentation-induced amorphization of nanograins proceeds preferentially from the GBs, leading to grain shrinkage until the grains are fully amorphized. The results provide an improved understanding of the mechanical properties in nc-SiC and other nanostructured covalent materials.     

Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

Efficient Low Dissipative High Order Schemes for Multiscale MHD Flows, II: Minimization of ∇·B Numerical Error

An adaptive numerical dissipation control in a class of high order filter methods for compressible MHD equations is systematically discussed. The filter schemes consist of a divergence-free preserving high order spatial base scheme with a filter approach which can be divergence-free preserving depending on the type of filter operator being used, the method of applying the filter step, and the type of flow problem to be considered. Some of these filter variants provide a natural and efficient way for the minimization of the divergence of the magnetic field (∇·B) numerical error in the sense that commonly used divergence cleaning is not required. Numerical experiments presented emphasize the performance of the ∇·B numerical error. Many levels of grid refinement and detailed comparison of the filter methods with several commonly used compressible MHD shock-capturing schemes will be illustratedA condensed version appears in the Proceedings of the International Conference on High Performance Scientific Computing, March 10-14, 2003, Hanoi, Vietnam. This is a revised version of a longer internal report, Feb. 19, 2004. The longer internal report was published as a RIACS Technical Report TR03.10, July 2003, NASA Ames Research Center     

横泉水库大坝土料碾压试验

在取得土料场土料物理力学性质参数的情况下，遵循碾压试验基本原理、方法及参数组合，进行了现场碾压试验，通过试验成果的分析，得出了大坝碾压试验结论，为大坝土方填筑提供了技术依据。     

二氧化碳加氢直接合成二甲醚催化剂的研究——沉淀次序对复合催化剂结构和性能的影响

以草酸乙醇溶液为沉淀剂,采用不同的沉淀次序(并流、反加和正加)制备了CuO-ZnO-Al2O3/HZSM-5复合型催化剂,对CO2加氢直接合成二甲醚反应的催化活性顺序为:并流法催化剂>反加法催化剂>正加法催化剂。3种复合催化剂的还原温度由低到高的顺序为:并流法催化剂<反加法催化剂<正加法催化剂。在沉淀过程中,反加法和正加法均形成类胶体沉淀,相应催化剂的比表面积也较大。IR研究发现,催化剂在1101cm-1处表现Cu/Zn/Al氧化物与HZSM-5分子筛之间相互作用的IR吸收峰强度与其催化活性间存在对应关系。XRD结果表明,并流法得到的催化剂前驱体中有铜锌同形取代现象,有利于催化剂活性的发挥。     

双贴合无光焦度校正板在主反射镜前的两镜系统的像差特性

在光学系统中特别是反射系统中经常通过加无光焦度校正板来减少或消除其他元件所产生的像差。讨论了双贴合无光焦度校正板放在主镜前的双反射球面系统，根据像差理论分析了消像差的条件，研究了系统中各种参数的变化对系统高级残余像差的影响。结果表明主镜的相对孔径越大，系统的残余像差增加；正透镜在前的校正板结构优于负透镜在前的结构；选择合适的校正板单透镜的光焦度，可使系统的高级残余像差最小。     

Data structure and algorithms for fast automatic differentiation

In this paper we discuss the data structure and algorithms for the direct application of generalized Leibnitz rules to the numerical computation of partial derivatives in forward mode. The proposed data structure provides constant time access to the partial derivatives, which accelerates the automatic differentiation computations. The interaction among elements of the data structure is explained by several numerical examples. The paper contains analysis of the developed data structure and algorithms. Copyright © 2003 John Wiley & Sons, Ltd.