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Atomic bound state and scattering properties of effective momentum-dependent potentials

Physical Review E 2016年第4期94卷 043205-043205页

作者： Gautham Dharuman John Verboncoeur Andrew Christlieb Michael S. Murillo Department of Electrical and Computer Engineering Michigan State University East Lansing Michigan 48824 USA Department of Computational Mathematics Science and Engineering Michigan State University East Lansing Michigan 48824 USA Department of Mathematics Michigan State University East Lansing Michigan 48824 USA New Mexico Consortium Los Alamos New Mexico 87544 USA Computational Physics and Methods Group Los Alamos National Laboratory Los Alamos New Mexico 87544 USA

Effective classical dynamics provide a potentially powerful avenue for modeling large-scale dynamical quantum systems. We have examined the accuracy of a Hamiltonian-based approach that employs effective momentum-dependent potentials (MDPs) within a molecular-dynamics framework through studies of atomic ground states, excited states, ionization energies, and scattering properties of continuum states. Working exclusively with the Kirschbaum-Wilets (KW) formulation with empirical MDPs [C. L. Kirschbaum and L. Wilets, Phys. Rev. A 21, 834 (1980)], optimization leads to very accurate ground-state energies for several elements (e.g., N, F, Ne, Al, S, Ar, and Ca) relative to Hartree-Fock values. The KW MDP parameters obtained are found to be correlated, thereby revealing some degree of transferability in the empirically determined parameters. We have studied excited-state orbits of electron-ion pair to analyze the consequences of the MDP on the classical Coulomb catastrophe. From the optimized ground-state energies, we find that the experimental first- and second-ionization energies are fairly well predicted. Finally, electron-ion scattering was examined by comparing the predicted momentum transfer cross section to a semiclassical phase-shift calculation; optimizing the MDP parameters for the scattering process yielded rather poor results, suggesting a limitation of the use of the KW MDPs for plasmas.

关键词： Molecular dynamics

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Extensions of functors from set to V-cat 6

Extensions of functors from set to V-cat

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6th Conference on Algebra and Coalgebra in computer science, CALCO 2015

作者： Balan, Adriana Kurz, Alexander Velebil, Jiří Department of Mathematical Methods and Models University Politehnica of Bucharest Romania Department of Computer Science University of Leicester United Kingdom Department of Mathematics Faculty of Electrical Engineering Czech Technical University Prague Czech Republic

ISBN: (纸本)9783939897842

We show that for a commutative quantale V every functor Set → V-cat has an enriched left-Kan extension. As a consequence, coalgebras over Set are subsumed by coalgebras over V-cat. Moreover, one can build functors on V-cat by equipping Set-functors with a metric. © Adriana Balan, Alexander Kurz, and Jiří Velebil;licensed under Creative Commons License CC-BY.

关键词： Enriched category Final coalgebra Quantale

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teaching tip: Managing software engineering student teams using Pellerin's 4-D system

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Journal of Information Systems Education 2015年第4期26卷 257-264页

作者： Doman, Marguerite Besmer, Andrew Olsen, Anne Department of Computer Science and Quantitative Methods Winthrop University Rock HillSC29733 United States

In this article, we discuss the use of Pellerin's Four Dimension Leadership System (4-D) as a way to manage teams in a classroom setting. Over a 5-year period, we used a modified version of the 4-D model to manage teams within a senior level Software Engineering capstone course. We found that this approach for team management in a classroom setting led to qualitatively fewer incidents of teams unable to effectively work together, better projects, and greater group cohesion. In this article, we discuss our experience using the 4-D System, which was not originally designed for use in the classroom. We find our modified version of the 4-D System to be viable in a classroom setting and provide the reader with everything needed to implement 4-D in his or her own course. © 2015 by the Education Special Interest Group (EDSIG) of the Association of Information Technology Professionals.

关键词： teaching

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An algorithm for data-driven shifting bottleneck detection (vol 3, 1239516, 2016)

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COGENT ENGINEERING 2016年第1期3卷

作者： Subramaniyan, Mukund Skoogh, Anders Gopalakrishnan, Maheshwaran Salomonsson, Hans Hanna, Atieh Lamkull, Dan Department of Product and Production Technology Chalmers University of Technology Gothenburg 41296 Sweden Department of Computer Science and Engineering Chalmers University of Technology Gothenburg 41296 Sweden Manufacturing Research and Advanced Engineering Volvo Group Ttrucks Operations Gothenburg 40508 Sweden Virtual Methods and IT Volvo Car Corporation Gothenburg 40531 Sweden

Manufacturing companies continuously capture shop floor information using sensors technologies, Manufacturing Execution Systems (MES), Enterprise Resource Planning systems. The volumes of data collected by these technologies are growing and the pace of that growth is accelerating. Manufacturing data is constantly changing but immediately relevant. Collecting and analysing them on a real-time basis can lead to increased productivity. Particularly, prioritising improvement activities such as cycle time improvement, setup time reduction and maintenance activities on bottleneck machines is an important part of the operations management process on the shop floor to improve productivity. The first step in that process is the identification of bottlenecks. This paper introduces a purely data-driven shifting bottleneck detection algorithm to identify the bottlenecks from the real-time data of the machines as captured by MES. The developed algorithm detects the current bottleneck at any given time, the average and the non-bottlenecks over a time interval. The algorithm has been tested over real-world MES data sets of two manufacturing companies, identifying the potentials and the prerequisites of the data-driven method. The main prerequisite of the proposed data-driven method is that all the states of the machine should be monitored by MES during the production run. © 2016 The Author(s). This open access article is distributed under a Creative Commons Attribution (CC-BY) 4.0 license.

关键词： active duration big data bottlenecks data-driven decision support production shifting bottleneck

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Aberrant expression of the candidate tumor suppressor gene DAL-1 due to hypermethylation in gastric cancer

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Scientific reports 2016年第1期6卷 21755页

作者： Hao Wang Man Xu Xiaobo Cui Yixin Liu Yi Zhang Yu Sui Dong Wang Lei Peng Dexu Wang Jingcui Yu Department of Hepatopancreatobiliary Surgery the Second Affiliated Hospital of Harbin Medical University Harbin 150081 China. Scientific Research Centre the Second Affiliated Hospital of Harbin Medical University Harbin 150081 China. Laboratory of Medical Genetics Harbin Medical University Harbin 150081 China. Computer teaching and research section School of Basic Medical Science Harbin Medical University China.

By allelotyping for loss of heterozygosity (LOH), we previously identified a deletion region that harbors the candidate tumor suppressor gene DAL-1 at 18p11.3 in sporadic gastric cancers (GCs). The expression and function of DAL-1 in GCs remained unclear. Here, we demonstrated that the absence of or notable decreases in the expression of DAL-1 mRNA and protein was highly correlated with CpG hypermethylation of the DAL-1 promoter in primary GC tissues and in GC cell lines. Furthermore, abnormal DAL-1 subcellular localization was also observed in GC cells. Exogenous DAL-1 effectively inhibited cancer cell proliferation, migration, invasion and epithelial to mesenchymal transition (EMT); exogenous DAL-1 also promoted apoptosis in GC AGS cells. When endogenous DAL-1 was knocked down in GC HGC-27 cells, the cells appeared highly aggressive. Taken together, these findings provide solid evidence that aberrant expression of DAL-1 by hypermethylation in the promoter region results in tumor suppressor gene behavior that plays important roles in the malignancy of GCs. Understanding the role of it played in the molecular pathogenesis of GC, DAL-1 might be a potential biomarker for molecular diagnosis and evaluation of the GC.

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Racial and gendered experiences that dissuade a career in the professoriate 1

Racial and gendered experiences that dissuade a career in th...

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1st Annual Conference Research on Equity and Sustained Participation in Engineering, Computing, and Technology, RESPECT 2015

作者： Robinson, William H. McGee, Ebony O. Bentley, Lydia C. Houston, Stacey L. Botchway, Portia K. Roy, Ruchi Department of Electrical Engineering and Computer Science Vanderbilt University NashvilleTN United States Department of Teaching and Learning Vanderbilt University NashvilleTN United States Department of Sociology Vanderbilt University NashvilleTN United States

ISBN: (纸本)9781509001514

Faculty members play a multi-faceted role in the engineering profession. They help to discover, promote, and disseminate advancements in technology, and they engage in capacity-building by training a future workforce of engineers. Yet, many potential faculty members are dissuaded from academia. This paper describes findings from both interviews and focus groups of 60 Black engineering Ph.D. students and postdoctoral scholars, which were conducted during our study to understand their career decision-making process. Their racial and gendered experiences impact their desire and choice to pursue an academic career. © 2015 IEEE.

关键词： Personnel training

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An exploratory study of a low-level shared awareness measure using mission-critical locations during an emergency exercise 59

An exploratory study of a low-level shared awareness measure...

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59th International Annual Meeting of the Human Factors and Ergonomics Society, HFES 2015

作者： Prytz, Erik Rybing, Jonas Jonson, Carl-Oscar Petterson, Albin Berggren, Peter Johansson, Björn Department of Computer and Information Science Linköping University Sweden Centre for Teaching and Research in Disaster Medicine and Traumatology Linköping University Sweden Linköping University Sweden Swedish Defence Research Agency Sweden

ISBN: (纸本)9780945289470

A shared awareness of other teams' roles and tasks has been linked to successful performance in joint ventures. However, emergency management organizations responding to incidents do not always share critical information necessary for maintaining shared awareness. An instrument called Shared Priorities has previously been applied to measure aspects of shared situation awareness at level 2 and 3 in Endsley's (1995) model. This paper reports on a shared awareness instrument focused on level 1 situation awareness and its associated level of team shared awareness. Participants in a large emergency response exercise were asked to locate and rank geographical locations based on importance for overall mission success. The results show that organizations tended to rank locations relevant for their own work higher than positions relevant to other organization's tasks. The different organizations displayed different levels of inter-rater agreement within themselves concerning the ranking of these positions. Copyright 2015 Human Factors and Ergonomics Society.

关键词： Location

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Ramp Loss Linear Programming Nonparallel Support Vector Machine

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Procedia computer science 2016年 80卷 1745-1754页

作者： Dalian Liu Dandan Chen Yong Shi Yingjie Tian School of Computer and Information Technology Beijing Jiaotong University Beijing 100044 China Department of Basic Course Teaching Beijing Union University Beijing 100101 China College of Mathematical Sciences University of Chinese Academy of Sciences Beijing 100049 China Research Center on Fictitious Economy and Data Science University of Chinese Academy of Sciences Beijing 100190 China Key Laboratory of Big Data Mining and Knowledge Management University of Chinese Academy of Sciences Beijing 100190 China College of Information Science and Technology University of Nebraska at Omaha Omaha NE 68182 USA

Motivated by the fact that the l 1 -penalty is piecewise linear, we proposed a ramp loss linear programming nonparallel support vector machine (ramp-LPNPSVM), in which the l 1 -penalty is applied for the RNPSVM, for binary classification. Since the ramp loss has the piecewise linearity as well, ramp- LPNPSVM is a piecewise linear minimization problem and a local minimum can be effectively found by the Concave Convex Procedure and experimental results on benchmark datasets confirm the effectiveness of the proposed algorithm. Moreover, the l 1 -penalty can enhance the sparsity.

关键词： support vector machine nonparallel CCCP linear programming ramp loss

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Initialization of image inpainting area using fuzzy C-means clustering

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Journal of Information and Computational science 2015年第8期12卷 3129-3135页

作者： Zhang, Lei Kang, Baosheng Li, Xuejing Zhang, Di School of Information Science and Technology Northwest University Xi'an China Public Computer Teaching Department Yuncheng University Yuncheng China

During the process of image inpainting, the inpainting area is always initialized to pure color, such as white or black, so we don't take the image information around the inpainting area into consideration. In view of this situation, we extract the neighborhood information when initializing the inpainting area, classify them using the fuzzy c-means clustering algorithm, assign corresponding initial values to the inpainting area according to the clustering results, so the inpainting area has some information feature in the beginning. The experiments show that the proposed method can accelerate the image restoration process, and improve the restoration effect. Copyright © 2015 Binary Information Press.

关键词： Image reconstruction

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Racial and gendered experiences that dissuade a career in the professoriate

Racial and gendered experiences that dissuade a career in th...

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Research in Equity and Sustained Participation in Engineering, Computing, and Technology (RESPECT)

作者： William H. Robinson Ebony O. McGee Lydia C. Bentley Stacey L. Houston Portia K. Botchway Ruchi Roy Department of Electrical Engineering and Computer Science Department of Teaching and Learning Department of Sociology Vanderbilt University Nashville TN USA

关键词： Interviews Engineering profession Medical services Stress Engineering education Image color analysis

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