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Possible origin of the discrepancy in Peierls stresses of fcc metals: First-principles simulations of dislocation mobility in aluminum

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Physical Review B 2013年第6期88卷 064106-064106页

作者： Ilgyou Shin Emily A. Carter Department of Mechanical and Aerospace Engineering Program in Applied and Computational Mathematics and Andlinger Center for Energy and the Environment Princeton University Princeton New Jersey 08544-5263 USA

Dislocation motion governs the strength and ductility of metals, and the Peierls stress (σp) quantifies dislocation mobility. σp measurements carry substantial uncertainty in face-centered cubic (fcc) metals, and σp values can differ by up to two orders of magnitude. We perform first-principles simulations based on orbital-free density functional theory (OFDFT) to calculate the most accurate currently possible σp for the motion of 12〈110〉111 dislocations in fcc Al. We predict the σps of screw and edge dislocations (dissociated in their equilibrium state) to be 1.9×10−4G and 4.9×10−5G, respectively (G is the shear modulus). These values fall within the range of measurements from mechanical deformation tests (10−4–10−5G). OFDFT also finds a new metastable structure for a screw dislocation not seen in earlier simulations, in which a dislocation core on the glide plane does not dissociate into partials. The corresponding σp for this undissociated dislocation is predicted to be 1.1×10−2G, which agrees with typical Bordoni peak measurements (10−2–10−3G). The calculated σps for dissociated and undissociated screw dislocations differ by two orders of magnitude. The presence of undissociated, as well as dissociated, screw dislocations may resolve the decades-long mystery in fcc metals regarding the two orders of magnitude discrepancy in σp measurements.

关键词： ALUMINUM DUCTILITY STRENGTH of materials STRAINS & stresses (Mechanics) DISLOCATIONS in metals FACE centered cubic structure

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Abstracts from the 3rd International Genomic Medicine Conference (3rd IGMC 2015) : Jeddah, Kingdom of Saudi Arabia. 30 November - 3 December 2015

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BMC genomics 2016年第6期17 Suppl 6卷 487页

作者： Jerry W. Shay Noriko Homma Ruyun Zhou Muhammad Imran Naseer Adeel G. Chaudhary Mohammed Al-Qahtani Nobutaka Hirokawa Maryam Goudarzi Albert J. Fornace Saleh Baeesa Deema Hussain Mohammed Bangash Fahad Alghamdi Hans-Juergen Schulten Angel Carracedo Ishaq Khan Hanadi Qashqari Nawal Madkhali Mohamad Saka Kulvinder S. Saini Awatif Jamal Jaudah Al-Maghrabi Adel Abuzenadah Adeel Chaudhary Mohammed Al Qahtani Ghazi Damanhouri Heba Alkhatabi Anne Goodeve Laura Crookes Nikolas Niksic Nicholas Beauchamp Adel M. Abuzenadah Jim Vaught Bruce Budowle Mourad Assidi Abdelbaset Buhmeida Leena Merdad Sudhir Kumar Sayaka Miura Karen Gomez Mahmood Rasool Ahmed Rebai Sajjad Karim Hend F. Nour Eldin Heba Abusamra Elham M. Alhathli Nada Salem Mohammed H. Al-Qahtani Hossam Faheem Ashok Agarwa Eberhard Nieschlag Joachim Wistuba Oliver S. Damm Mohd A. Beg Taha A. Abdel-Meguid Hisham A. Mosli Osama S. Bajouh Serdar Coskun Muhammad Abu-Elmagd Ashraf Dallol Sahar Hakamy Wejdan Al-Qahtani Asia Al-Harbi Shireen Hussain Burak Ozkosem Rick DuBois Safia S. Messaoudi Maryam T. Dandana Touhami Mahjoub Wassim Y. Almawi S. Abdalla M. Nabil Al-Aama Asmaa Elzawahry Tsuyoshi Takahashi Sachiyo Mimaki Eisaku Furukawa Rie Nakatsuka Isao Kurosaka Takahiko Nishigaki Hiromi Nakamura Satoshi Serada Tetsuji Naka Seiichi Hirota Tatsuhiro Shibata Katsuya Tsuchihara Toshirou Nishida Mamoru Kato Sajid Mehmood Naeem Mahmood Ashraf Awais Asif Muhammad Bilal Malik Siddique Mehmood Aadil Hussain Qazi Mohammad Sajid Jamal Mughees Uddin Siddiqui Mohammad A. Alzohairy Mohammad A. Al Karaawi Taoufik Nedjadi Heba Al-Khattabi Adel Al-Ammari Ahmed Al-Sayyad Hédia Zitouni Nozha Raguema Marwa Ben Ali Wided Malah Raja Lfalah Wassim Almawi Mohammed Elanbari Andrey Ptitsyn Sana Mahjoub Rabeb El Ghali Bechir Achour Nidhal Ben Amor Brahim N’siri Hamid Morjani Esam Azhar Vera Chayeb Maryam Dendena Hedia Zitouni Khedija Zouari-Limayem Bassem Refaat Ahmed M. Ashshi Sarah A. Batwa Hazem Ramadan Amal Awad Ahmed Ateya Adel Galal Ahmed El-Shemi Ahmad Ashshi Mohammed Basalamah Youjin Na Cha University of Texas Southwestern Medical Center Dallas USA Department of Cell Biology and Anatomy Graduate School of Medicine the University of Tokyo Tokyo Japan Center of Excellence in Genomic Medicine Research King Abdulaziz University Jeddah Saudi Arabia Department of Biochemistry and Molecular & Cellular Biology Lombardi Comprehensive Cancer Center Georgetown University Washington USA Department of Oncology Lombardi Comprehensive Cancer Center Georgetown University Washington USA Department of Radiation Medicine Lombardi Comprehensive Cancer Center Georgetown University Washington USA Center of Excellence in Genomic Medicine Research (CEGMR) King Abdulaziz University Jeddah Kingdom of Saudi Arabia King Fahd Medical Research Centre King Abdulaziz University Jeddah Saudi Arabia Centre of Excellence in Genomic Medicine Research King Abdulaziz University Jeddah Saudi Arabia Sheffield Diagnostic Genetic Service Sheffield Children’s NHS Foundation Trust Western Bank Sheffield UK Center of Innovations in Personalized Medicine King Abdulaziz University Jeddah Saudi Arabia President ISBER Editor-in-Chief Biopreservation & Biobanking ᅟ USA Institute of Applied Genetics Department of Molecular and Medical Genetics University of North Texas Health Science Center Fort Worth USA Department of Dental Public Health Faculty of Dentistry King Abdulaziz University Jeddah Saudi Arabia Institute for Genomics and Evolutionary Medicine Temple University Philadelphia USA Center of Excellence in Genomic Medicine King Abdulaziz University Jeddah Kingdom of Saudi Arabia Laboratory of Molecular and Cellular Screening Processes (Bioinformatics Group) Centre of Biotechnology of Sfax Sfax Tunisia Fujitsu Technology Solutions International ᅟ ᅟ Case Western Reserve University School of Medicine and Lerner College of Medicine Cleveland Clinic Foundation Cleveland USA American Center for Reproductive Medicine Andrology Center Cleveland USA Center for Reproductive Medicine and

O1 Regulation of genes by telomere length over long distances Jerry W. Shay O2 The microtubule destabilizer KIF2A regulates the postnatal establishment of neuronal circuits in addition to prenatal cell survival, cell migration, and axon elongation, and its loss leading to malformation of cortical development and severe epilepsy Noriko Homma, Ruyun Zhou, Muhammad Imran Naseer, Adeel G. Chaudhary, Mohammed Al-Qahtani, Nobutaka Hirokawa O3 Integration of metagenomics and metabolomics in gut microbiome research Maryam Goudarzi, Albert J. Fornace Jr. O4 A unique integrated system to discern pathogenesis of central nervous system tumors Saleh Baeesa, Deema Hussain, Mohammed Bangash, Fahad Alghamdi, Hans-Juergen Schulten, Angel Carracedo, Ishaq Khan, Hanadi Qashqari, Nawal Madkhali, Mohamad Saka, Kulvinder S. Saini, Awatif Jamal, Jaudah Al-Maghrabi, Adel Abuzenadah, Adeel Chaudhary, Mohammed Al Qahtani, Ghazi Damanhouri O5 RPL27A is a target of miR-595 and deficiency contributes to ribosomal dysgenesis Heba Alkhatabi O6 Next generation DNA sequencing panels for haemostatic and platelet disorders and for Fanconi anaemia in routine diagnostic service Anne Goodeve, Laura Crookes, Nikolas Niksic, Nicholas Beauchamp O7 Targeted sequencing panels and their utilization in personalized medicine Adel M. Abuzenadah O8 International biobanking in the era of precision medicine Jim Vaught O9 Biobank and biodata for clinical and forensic applications Bruce Budowle, Mourad Assidi, Abdelbaset Buhmeida O10 Tissue microarray technique: a powerful adjunct tool for molecular profiling of solid tumors Jaudah Al-Maghrabi O11 The CEGMR biobanking unit: achievements, challenges and future plans Abdelbaset Buhmeida, Mourad Assidi, Leena Merdad O12 Phylomedicine of tumors Sudhir Kumar, Sayaka Miura, Karen Gomez O13 Clinical implementation of pharmacogenomics for colorectal cancer treatment Angel Carracedo, Mahmood Rasool O14 From association to causality: translation of GWAS findings for genomic me

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Offering Supplementary Wireless Technologies: Adoption Behavior and Offloading Benefits

Offering Supplementary Wireless Technologies: Adoption Behav...

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IEEE INFOCOM

作者： Carlee Joe-Wong Soumya Sen Sangtae Ha Program in Applied and Computational Mathematics Princeton University Princeton NJ USA Department of Electrical Engineering Princeton University Princeton NJ USA

ISBN: (纸本)9781467359443

To alleviate the congestion caused by rapid growth in demand for mobile data, ISPs have begun encouraging users to offload some of their traffic onto a supplementary, better quality network technology, e.g., offloading from 3G or 4G to WiFi and femtocells. With the growing popularity of such offerings, a deeper understanding of the underlying economic principles and their impact on technology adoption is necessary. To this end, we develop a model for user adoption of a base wireless technology and a bundle of the base plus a supplementary technology. In our model, individual users make their adoption decisions based on several factors, including the technologies' intrinsic qualities, throughput degradation due to congestion externalities from other subscribers, and the flat access rates that an ISP charges. We study the adoption dynamics and show that they converge to a unique equilibrium for a given set of exogenously determined system parameters. In particular, we characterize the occurrence of interesting adoption behaviors, including a possible decrease in the adoption of the supplementary technology as its coverage increases. Similar behaviors occur at an ISP's profit-maximizing prices and the optimal coverage area for the supplementary technology. To account for the potential benefits from offloading in practice, we collect 3G and WiFi usage and location data from twenty mobile users. We then use this data to numerically investigate the profit-maximizing adoption levels when an ISP accounts for its cost of deploying the supplemental technology and savings from offloading traffic onto this technology.

关键词： UNLOADING internet service providers third generation Adoption Wireless Technology Wi-Fi Femtocells 4G mobile communication

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The influence of multiple firing events on the formation and stability of activity patterns in continuous attractor networks

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BMC Neurosci 2013年第SUPPL 1期14卷 P241-P241页

作者： David Lyttle Alfredo Weitzenfeld Jean-Marc Fellous Kevin K Lin Program in Applied Mathematics University of Arizona Tucson AZ 85721 USA Department of Computer Science and Engineering University of South Florida Tampa FL 33620 USA Department of Psychology University of Arizona Tucson AZ 85721 USA Department of Mathematics University of Arizona Tucson AZ 85721 USA

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Nonlinear function approximation based on fuzzy algorithms with parameterized conjunctors

Nonlinear function approximation based on fuzzy algorithms w...

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International Conference on Mechatronics (ICM)

作者： Ayse Cisel Aras Okyay Kaynak Ildar Batyrshin Department of Electrical-Electronics Engineering Bogazici University Bebek Istanbul Turkey Research Program of Applied Mathematics and Computations Mexican Petroleum Institute Mexico

In this study, two fuzzy algorithms, type-1 fuzzy algorithm with parameterized conjunctors and a novel approach interval type-2 fuzzy algorithm with parameterized conjunctors are used in the modeling application for nonlinear functions. The aim of using parameterized conjunctors as fuzzy operators in these algorithms is not to lose or distort the expert knowledge about the system during the optimization process. In this study, this linguistic information about the system is obtained by using fuzzy c-means clustering algorithms. Then, the designed fuzzy algorithms are tested on two benchmark nonlinear functions in modeling application.

关键词： Function approximation Clustering algorithms Approximation algorithms Fuzzy sets Tuning Mathematical model

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Robust estimation of rotations from relative measurements by maximum likelihood

Robust estimation of rotations from relative measurements by...

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IEEE Annual Conference on Decision and Control

作者： Nicolas Boumal Amit Singer P.-A. Absil Department of Mathematical Engineering ICTEAM Institute Universite catholique de Louvain Belgium Program in Applied and Computational Mathematics Princeton University NJ USA

ISBN: (纸本)9781467357159

We estimate unknown rotation matrices R_i from a set of measurements of relative rotations R_iR_j~T. Measurements are strongly affected by noise such that a small fraction of them are well concentrated around the true relative rotations while the majority of measurements are outliers bearing little or no information. We propose a maximum likelihood estimator (MLE) that explicitly acknowledges this noise model, yielding a robust estimation algorithm. The MLE is computed via Riemannian trust-region optimization using the Manopt toolbox. Comparisons of the MLE with Cramer-Rao bounds suggest the estimator is asymptotically efficient.

关键词： Maximum likelihood estimation Noise Synchronization Rotation measurement Noise measurement Vectors Optimization

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Erratum: “Effect of dimensionality on the continuum percolation of overlapping hyperspheres and hypercubes. II. Simulation results and analyses” [J. Chem. Phys. 137, 074106 (2012)]

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The Journal of Chemical Physics 2014年第15期141卷

作者： S. Torquato Y. Jiao 1Department of Chemistry Department of Physics Princeton Center for Theoretical Science and Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA 2Princeton Institute for the Science and Technology of Materials Princeton University Princeton New Jersey 08544 USA

In Table I and the caption of Fig. 8 of Ref. 1, the numerical value of the percolation threshold ηc of three-dimensional overlapping spheres as determined via t

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Optimization of a z-source DC circuit breaker

Optimization of a z-source DC circuit breaker

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2013 5th IEEE Electric Ship Technologies Symposium, ESTS 2013

作者： Prempraneerach, P. Angle, M.G. Kirtley Jr., J.L. Karniadakis, G.E. Chryssostomidis, C. Mechanical Engineering Department Rajamangala University of Technology Thunyaburi Pathumthani 12110 Thailand Electrical Engineering and Computer Science Department Research Laboratory for Electronics MIT Cambridge MA 02139 United States Division of Applied Mathematics Brown University Providence RI 02912 United States MIT Sea Grant College Program Department of Mechanical Engineering MIT Cambridge MA 02138 United States

ISBN: (纸本)9781467352437

DC faults may cause severe disruptions in continuity of service to vital loads in a shipboard integrated power system, hence detection, isolation, and protection against such faults must be incorporated in both medium-voltage DC (MVDC) and low-voltage DC (LVDC) systems. Here we consider the effectiveness of existing z-source breakers and propose several new designs more appropriate for fault detection in MVDC and LVDC systems. In particular, we perform an optimization study that aims to minimize dissipation and weight and we identify the key parameters for use in MVDC and LVDC systems. Preliminary verification and validation studies are also included. © 2013 IEEE.

关键词： Electric circuit breakers

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Angular-Momentum-Dependent Orbital-Free Density Functional Theory

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Physical Review Letters 2013年第6期111卷 066402-066402页

作者： Youqi Ke Florian Libisch Junchao Xia Lin-Wang Wang Emily A. Carter Department of Mechanical and Aerospace Engineering Program in Applied and Computational Mathematics and Andlinger Center for Energy and the Environment Princeton University Princeton New Jersey 08544 USA Material Science Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA

Orbital-free (OF) density functional theory (DFT) directly solves for the electron density rather than the wave function of many electron systems, greatly simplifying and enabling large scale first principles simulations. However, the required approximate noninteracting kinetic energy density functionals and local electron-ion pseudopotentials severely restrict the general applicability of conventional OFDFT. Here, we present a new generation of OFDFT called angular-momentum-dependent (AMD)-OFDFT to harness the accuracy of Kohn-Sham DFT and the simplicity of OFDFT. The angular momenta of electrons are explicitly introduced within atom-centered spheres so that the important ionic core region can be accurately described. In addition to conventional OF total energy functionals, we introduce a crucial nonlocal energy term with a set of AMD energies to correct errors due to the kinetic energy density functional and the local pseudopotential. We find that our AMD-OFDFT formalism offers substantial improvements over conventional OFDFT, as we show for various properties of the transition metal titanium.

关键词： DENSITY functional theory ELECTRON density KINETIC energy PSEUDOPOTENTIAL method TRANSITION metal compounds ELECTRON-ion collisions

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Difficulty in predicting shallow defects with hybrid functionals: Implication of the long-range exchange interaction

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Physical Review B 2013年第3期88卷 035134-035134页

作者： Junhyeok Bang Y. Y. Sun Tesfaye A. Abtew Amit Samanta Peihong Zhang S. B. Zhang Department of Physics Applied Physics and Astronomy Rensselaer Polytechnic Institute Troy New York 12180 USA Department of Physics University at Buffalo State University of New York Buffalo New York 14260 USA Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08540 USA

We identify an important issue in defect studies using hybrid functionals. When modeling a defect, which is supposedly an isolated system, with a finite-size supercell, the inclusion of a fraction of the Hartree-Fock interaction results in a strong cell-size dependence and an extremely slow convergence of the calculated defect properties, especially for shallow defect. These behaviors may give rise to a number of errors in calculated defect properties, including the deepening of transition level and overstabilization of shallow defects. Numerical results from hybrid functional calculations for a diverse array of systems can be understood within the Hartree-Fock theory of an electron-gas model, indicating that the long-range exchange is the main cause for the errors in the calculated defect properties within hybrid functionals.

关键词： EXCHANGE interactions (Magnetism) HARTREE-Fock approximation ELECTRON gas MATHEMATICAL models FUNCTIONS (mathematics) ERRORS

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