Electron microscopy - principles of radiation protection

International Nuclear Information System (INIS)

1990-01-01

This 8 minute programme explains the nature of the possible radiation hazard in Electron Microscopy and outlines the ways in which modern equipment is designed and made so that in normal use the worker is not exposed to radiation. The interlock principle is explained and illustrated by an example from the field of X-ray crystallography. By filming machines while they were dismantled for servicing, details of several internal safety devices have been included. In this way workers who normally use the equipment as a 'black box' get some insight into the principles and practice of radiation protection in the field. (author)

Electronic Resource Management Systems

Directory of Open Access Journals (Sweden)

Mark Ellingsen

2004-10-01

Full Text Available Computer applications which deal with electronic resource management (ERM are quite a recent development. They have grown out of the need to manage the burgeoning number of electronic resources particularly electronic journals. Typically, in the early years of e-journal acquisition, library staff provided an easy means of accessing these journals by providing an alphabetical list on a web page. Some went as far as categorising the e-journals by subject and then grouping the journals either on a single web page or by using multiple pages. It didn't take long before it was recognised that it would be more efficient to dynamically generate the pages from a database rather than to continually edit the pages manually. Of course, once the descriptive metadata for an electronic journal was held within a database the next logical step was to provide administrative forms whereby that metadata could be manipulated. This in turn led to demands for incorporating more information and more functionality into the developing application.

Testing the Pauli Exclusion Principle for electrons at LNGS

CERN Document Server

Shi, H.; Bertolucci, S.; Berucci, C.; Bragadireanu, A.M.; Cargnelli, M.; Clozza, A.; Curceanu, C.; De Paolis, L.; Di Matteo, S.; d'Uffizi, A.; Egger, J.-P.; Guaraldo, C.; Iliescu, M.; Ishiwatari, T.; Marton, J.; Laubenstein, M.; Milotti, E.; Pietreanu, D.; Piscicchia, K.; Ponta, T.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Sirghi, D.L.; Sirghi, F.; Sperandio, L.; Vazquez Doce, O.; Widmann, E.; Zmeskal, J.

High-precision experiments have been done to test the Pauli exclusion principle (PEP) for electrons by searching for anomalous $K$-series X-rays from a Cu target supplied with electric current. With the highest sensitivity, the VIP (VIolation of Pauli Exclusion Principle) experiment set an upper limit at the level of $10^{-29}$ for the probability that an external electron captured by a Cu atom can make the transition from the 2$p$ state to a 1$s$ state already occupied by two electrons. In a follow-up experiment at Gran Sasso, we aim to increase the sensitivity by two orders of magnitude. We show proofs that the proposed improvement factor is realistic based on the results from recent performance tests of the detectors we did at Laboratori Nazionali di Frascati (LNF).

Electronic Resources Management Project Presentation 2012

KAUST Repository

Ramli, Rindra M.

2012-11-05

This presentation describes the electronic resources management project undertaken by the KAUST library. The objectives of this project is to migrate information from MS Sharepoint to Millennium ERM module. One of the advantages of this migration is to consolidate all electronic resources into a single and centralized location. This would allow for better information sharing among library staff.

First-principle calculations of the structural, electronic ...

Indian Academy of Sciences (India)

First-principle calculations were performed to study the structural, electronic, thermodynamic and thermal properties of ... functional theory (DFT) combined with the quasi-harmonic .... is consistent with Vegard's law which assumes that the lat- tice constant varies .... reflects a charge-transfer effect which is due to the different.

First-principle calculations of structural, electronic, optical, elastic ...

Indian Academy of Sciences (India)

S CHEDDADI

2017-11-28

Nov 28, 2017 ... First-principle calculations on the structural, electronic, optical, elastic and thermal properties of the chalcopyrite ... The Kohn–Sham equations were solved using the ... RMTKmax = 7 was used for all the investigated systems,.

Community Relations: DOD’s Approach for Using Resources Reflects Sound Management Principles

Science.gov (United States)

2016-09-01

COMMUNITY RELATIONS DOD’s Approach for Using Resources Reflects Sound Management Principles Report to...Sound Management Principles What GAO Found The Department of Defense’s (DOD) approach for determining which community relations activities to...undertake reflects sound management principles —both for activities requested by non-DOD entities and for activities initiated by the department. DOD and

Principles of resource-effectiveness and regulatory-effectiveness for risk-informed applications: Reducing burdens by improving effectiveness

International Nuclear Information System (INIS)

Vesely, W.E.

1999-01-01

Principles of resource-effectiveness and regulatory-effectiveness are presented which systematically compare the resources expended on a requirement or activity versus its risk importance. To evaluate resource-effectiveness and regulatory-effectiveness, cost-benefit analysis principles are generalized to resource versus risk importance principles. It is shown that by applying resource-importance analyses, current requirements and activities can be systematically evaluated for their resource-effectiveness and their risk-consistency. Strategies can then be developed to maximize both resource-effectiveness and risk-consistency which reduces unnecessary burdens while maintaining risk or reducing risk. The principles, approaches, and implementation schemes which are presented provide a systematic process for evaluating and optimizing resource-effectiveness and regulatory-effectiveness. The illustrations that are presented show that current NRC and industry actions are not resource-effective. By improving their resource-effectiveness and risk-consistency, significant burden reductions are achievable while risk, e.g. core damage frequency, is maintained or is reduced. The illustrations show that by optimizing industry resources and NRC resources with regard to their risk-effectiveness, significant burden reductions are achievable for both the industry and NRC. Algorithms and software exist for broad-scale implementations. Because of the burden reductions which are identified and the improvements in risk-consistency which result, resource-importance analysis should be the first step in risk-informed applications. Resource-importance analysis is so important and can provide such large benefits that it needs to be carried out on all current requirements that are addressed by risk-informed applications

Implementing CORAL: An Electronic Resource Management System

Science.gov (United States)

Whitfield, Sharon

2011-01-01

A 2010 electronic resource management survey conducted by Maria Collins of North Carolina State University and Jill E. Grogg of University of Alabama Libraries found that the top six electronic resources management priorities included workflow management, communications management, license management, statistics management, administrative…

Managing electronic resources a LITA guide

CERN Document Server

Weir, Ryan O

2012-01-01

Informative, useful, current, Managing Electronic Resources: A LITA Guide shows how to successfully manage time, resources, and relationships with vendors and staff to ensure personal, professional, and institutional success.

78 FR 18562 - Economic and Environmental Principles and Requirements for Water and Related Land Resources...

Science.gov (United States)

2013-03-27

... COUNCIL ON ENVIRONMENTAL QUALITY Economic and Environmental Principles and Requirements for Water... ``Economic and Environmental Principles and Guidelines for Water and Related Land Resources Implementation... Secretary of the Army to revise the ``Economic and Environmental Principles and Guidelines for Water and...

First-principles study of electron transport through monatomic Al and Na wires

DEFF Research Database (Denmark)

Kobayashi, Nobuhiko; Brandbyge, Mads; Tsukada, Masaru

2000-01-01

We present first-principles calculations of electron transport, in particular, the conduction channels of monatomic Al and Na atom wires bridged between metallic jellium electrodes. The electronic structures are calculated by the first-principles recursion-transfer matrix method, and the conduction...... channels are investigated using the eigenchannel decomposition (ECD) of the conductance, the local density of states (LDOS), and the current density. The ECD is different from the conventional decomposition of atomic orbitals, and the study of decomposed electronic structures is shown to be effective...

Is the Pauli exclusion principle the origin of electron localisation?

Science.gov (United States)

Rincón, Luis; Torres, F. Javier; Almeida, Rafael

2018-03-01

In this work, we inquire into the origins of the electron localisation as obtained from the information content of the same-spin pair density, γσ, σ(r2∣r1). To this end, we consider systems of non-interacting and interacting identical Fermions contained in two simple 1D potential models: (1) an infinite potential well and (2) the Kronig-Penney periodic potential. The interparticle interaction is considered through the Hartree-Fock approximation as well as the configuration interaction expansion. Morover, the electron localisation is described through the Kullback-Leibler divergence between γσ, σ(r2∣r1) and its associated marginal probability. The results show that, as long as the adopted method properly includes the Pauli principle, the electronic localisation depends only modestly on the interparticle interaction. In view of the latter, one may conclude that the Pauli principle is the main responsible for the electron localisation.

First principles studies of electron tunneling in proteins

Science.gov (United States)

Hayashi, Tomoyuki; Stuchebrukhov, Alexei A.

2014-01-01

A first principles study of electronic tunneling along the chain of seven Fe/S clusters in respiratory complex I, a key enzyme in the respiratory electron transport chain, is described. The broken-symmetry states of the Fe/S metal clusters calculated at both DFT and semi-empirical ZINDO levels were utilized to examine both the extremely weak electronic couplings between Fe/S clusters and the tunneling pathways, which provide a detailed atomistic-level description of the charge transfer process in the protein. One-electron tunneling approximation was found to hold within a reasonable accuracy, with only a moderate induced polarization of the core electrons. The method is demonstrated to be able to calculate accurately the coupling matrix elements as small as 10−4 cm−1. A distinct signature of the wave properties of electrons is observed as quantum interferences of multiple tunneling pathways. PMID:25383312

Electronic structure and ionicity of actinide oxides from first principles

DEFF Research Database (Denmark)

Petit, Leon; Svane, Axel; Szotek, Z.

2010-01-01

The ground-state electronic structures of the actinide oxides AO, A2O3, and AO2 (A=U, Np, Pu, Am, Cm, Bk, and Cf) are determined from first-principles calculations, using the self-interaction corrected local spin-density approximation. Emphasis is put on the degree of f-electron localization, whi...

Model of e-learning with electronic educational resources of new generation

Directory of Open Access Journals (Sweden)

A. V. Loban

2017-01-01

Full Text Available Purpose of the article: improving of scientific and methodical base of the theory of the е-learning of variability. Methods used: conceptual and logical modeling of the е-learning of variability process with electronic educational resource of new generation and system analysis of the interconnection of the studied subject area, methods, didactics approaches and information and communication technologies means. Results: the formalization complex model of the е-learning of variability with electronic educational resource of new generation is developed, conditionally decomposed into three basic components: the formalization model of the course in the form of the thesaurusclassifier (“Author of e-resource”, the model of learning as management (“Coordination. Consultation. Control”, the learning model with the thesaurus-classifier (“Student”. Model “Author of e-resource” allows the student to achieve completeness, high degree of didactic elaboration and structuring of the studied material in triples of variants: modules of education information, practical task and control tasks; the result of the student’s (author’s of e-resource activity is the thesaurus-classifier. Model of learning as management is based on the principle of personal orientation of learning in computer environment and determines the logic of interaction between the lecturer and the student when determining the triple of variants individually for each student; organization of a dialogue between the lecturer and the student for consulting purposes; personal control of the student’s success (report generation and iterative search for the concept of the class assignment in the thesaurus-classifier before acquiring the required level of training. Model “Student” makes it possible to concretize the learning tasks in relation to the personality of the student and to the training level achieved; the assumption of the lecturer about the level of training of a

First-principles method for electron-phonon coupling and electron mobility

DEFF Research Database (Denmark)

Gunst, Tue; Markussen, Troels; Stokbro, Kurt

2016-01-01

We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene, and MoS2. The material properties, including the electron-phonon interaction, are calculated from first principles. We provide a detailed description of the normalized full......-band relaxation time approximation for the linearized Boltzmann transport equation (BTE) that includes inelastic scattering processes. The bulk electron-phonon coupling is evaluated by a supercell method. The method employed is fully numerical and does therefore not require a semianalytic treatment of part...... of the problem and, importantly, it keeps the anisotropy information stored in the coupling as well as the band structure. In addition, we perform calculations of the low-field mobility and its dependence on carrier density and temperature to obtain a better understanding of transport in graphene, silicene...

Gender Analysis Of Electronic Information Resource Use: The Case ...

African Journals Online (AJOL)

Based on the findings the study concluded that access and use of electronic information resources creates a “social digital divide” along gender lines. The study ... Finally, the library needs to change its marketing strategies on the availability of electronic information resources to increase awareness of these resources.

Electrical and electronic principles and technology

CERN Document Server

John Bird

2013-01-01

This much-loved textbook introduces electrical and electronic principles and technology to students who are new to the subject. Real-world situations and engineering examples put the theory into context. The inclusion of worked problems with solutions really help aid your understanding and further problems then allow you to test and confirm you have mastered each subject. In total the books contains 410 worked problems, 540 further problems, 340 multiple-choice questions, 455 short-answer questions, and 7 revision tests with answers online.This an ideal text for vocational courses enabling a s

Users satisfaction with electronic information resources and services ...

African Journals Online (AJOL)

This study investigated users satisfaction on the use of electronic information resources and services in MTN Net libraries in ABU & UNIBEN. Two objectives and one null hypotheses were formulated and tested with respect to the users' satisfaction on electronic information resources and services in MTN Net libraries in ...

First principles calculations of structural, electronic and thermal ...

Indian Academy of Sciences (India)

Home; Journals; Bulletin of Materials Science; Volume 37; Issue 5. First principles calculations of structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and PbTe compounds. N Boukhris H Meradji S Amara Korba S Drablia S Ghemid F El Haj Hassan. Volume 37 Issue 5 August 2014 pp 1159-1166 ...

Mechanical design of an electronic control unit using axiomatic principles

Directory of Open Access Journals (Sweden)

Cazacu Vlad

2017-01-01

Full Text Available If the engine of the car can be considered as the heart, then the E.C.U’s represents the brain of the car. Electronic control units (E.C.U’s are electronic devices which control the way different components of a car (engine, windows, airbags, etc. react in some situations (overheating, button pressed by a passenger, crash, etc.. Axiomatic design is a set of principles that theorizes the act of conceiving a new project. Based on two axiom this method comes into designers help, giving them the option to reach in a short period of time a fully functional and compliant product without supporting the design of the product on chance, past experiences or “try and fail” principle.

Organizational matters of competition in electronic educational resources

Directory of Open Access Journals (Sweden)

Ирина Карловна Войтович

2015-12-01

Full Text Available The article examines the experience of the Udmurt State University in conducting competitions of educational publications and electronic resources. The purpose of such competitions is to provide methodological support to educational process. The main focus is on competition of electronic educational resources. The technology of such contests is discussed through detailed analysis of the main stages of the contest. It is noted that the main task of the preparatory stage of the competition is related to the development of regulations on competition and the definition of criteria for selection of the submitted works. The paper also proposes a system of evaluation criteria of electronic educational resources developed by members of the contest organizing committee and jury members. The article emphasizes the importance of not only the preparatory stages of the competition, but also measures for its completion, aimed at training teachers create quality e-learning resources.

The principles of electronic and electromechanic power conversion a systems approach

CERN Document Server

Ferreira, Braham

2013-01-01

Teaching the principles of power electronics and electromechanical power conversion through a unique top down systems approach, The Principles of Electromechanical Power Conversion takes the role and system context of power conversion functions as the starting point. Following this approach, the text defines the building blocks of the system and describes the theory of how they exchange power with each other. The authors introduce a modern, simple approach to machines, which makes the principles of field oriented control and space vector theory approachable to undergraduate students as well as

CHALLENGES OF ELECTRONIC INFORMATION RESOURCES IN ...

African Journals Online (AJOL)

This paper discusses the role of policy for proper and efficient library services in the electronic era. It points out some of the possible dangers of embarking in electronic resources without a proper focus at hand. Thus, it calls for today's librarians and policy makers to brainstorm and come up with working policies suitable to ...

First principles design of a core bioenergetic transmembrane electron-transfer protein

Energy Technology Data Exchange (ETDEWEB)

Goparaju, Geetha; Fry, Bryan A.; Chobot, Sarah E.; Wiedman, Gregory; Moser, Christopher C.; Leslie Dutton, P.; Discher, Bohdana M.

2016-05-01

Here we describe the design, Escherichia coli expression and characterization of a simplified, adaptable and functionally transparent single chain 4-α-helix transmembrane protein frame that binds multiple heme and light activatable porphyrins. Such man-made cofactor-binding oxidoreductases, designed from first principles with minimal reference to natural protein sequences, are known as maquettes. This design is an adaptable frame aiming to uncover core engineering principles governing bioenergetic transmembrane electron-transfer function and recapitulate protein archetypes proposed to represent the origins of photosynthesis. This article is part of a Special Issue entitled Biodesign for Bioenergetics — the design and engineering of electronic transfer cofactors, proteins and protein networks, edited by Ronald L. Koder and J.L. Ross Anderson.

First-Principles Vibrational Electron Energy Loss Spectroscopy of β -Guanine

Science.gov (United States)

Radtke, G.; Taverna, D.; Lazzeri, M.; Balan, E.

2017-07-01

A general approach to model vibrational electron energy loss spectra obtained using an electron beam positioned away from the specimen is presented. The energy-loss probability of the fast electron is evaluated using first-principles quantum mechanical calculations (density functional theory) of the dielectric response of the specimen. The validity of the method is assessed using recently measured anhydrous β -guanine, an important molecular solid used by animals to produce structural colors. The good agreement between theory and experiments lays the basis for a quantitative interpretation of this spectroscopy in complex systems.

Use of Electronic Resources in a Private University in Nigeria ...

African Journals Online (AJOL)

The study examined awareness and constraints in the use of electronic resources by lecturers and students of Ajayi Crowther University, Oyo, Nigeria. It aimed at justifying the resources expended in the provision of electronic resources in terms of awareness, patronage and factors that may be affecting awareness and use ...

Electronic Resources Management System: Recommendation Report 2017

KAUST Repository

Ramli, Rindra M.

2017-05-01

This recommendation report provides an overview of the selection process for the new Electronic Resources Management System. The library has decided to move away from Innovative Interfaces Millennium ERM module. The library reviewed 3 system as potential replacements namely: Proquest 360 Resource Manager, Ex Libris Alma and Open Source CORAL ERMS. After comparing and trialling the systems, it was decided to go for Proquest 360 Resource Manager.

use of electronic resources by graduate students of the department

African Journals Online (AJOL)

respondent's access electronic resources from the internet via Cybercafé .There is a high ... KEY WORDS: Use, Electronic Resources, Graduate Students, Cybercafé. INTRODUCTION ... Faculty of Education, University of Uyo, Uyo. Olu Olat ...

Electronic resource management practical perspectives in a new technical services model

CERN Document Server

Elguindi, Anne

2012-01-01

A significant shift is taking place in libraries, with the purchase of e-resources accounting for the bulk of materials spending. Electronic Resource Management makes the case that technical services workflows need to make a corresponding shift toward e-centric models and highlights the increasing variety of e-formats that are forcing new developments in the field.Six chapters cover key topics, including: technical services models, both past and emerging; staffing and workflow in electronic resource management; implementation and transformation of electronic resource management systems; the ro

Utilization of electronic information resources by academic staff at ...

African Journals Online (AJOL)

The study investigated the utilization of Electronic Information resources by the academic staff of Makerere University in Uganda. It examined the academic staff awareness of the resources available, the types of resources provided by the Makerere University Library, the factors affecting resource utilization. The study was ...

Human Resource Development (HRD) Evaluation and Principles Related to the Public Interest

Science.gov (United States)

Russ-Eft, Darlene F.

2009-01-01

This paper examines the issues involved in the use of ethical standards related to social responsibility using the two ethical codes: the American Evaluation Association "Guiding Principles for Evaluators" and the Academy of Human Resource Development "Standards on Ethics and Integrity." This examination will take the perspective of an internal…

Electronic Resources Management Project Presentation 2012

KAUST Repository

Ramli, Rindra M.

2012-01-01

This presentation describes the electronic resources management project undertaken by the KAUST library. The objectives of this project is to migrate information from MS Sharepoint to Millennium ERM module. One of the advantages of this migration

Integrated Water Resources Management: contrasting principles, policy, and practice, Awash River Basin, Ethiopia

NARCIS (Netherlands)

Mersha, A.; Fraiture, de C.M.S.; Mehari, Alem; Masih, I.; Alamirew, T.

2016-01-01

Integrated Water Resources Management (IWRM) has been a dominant paradigm for water sector reform worldwide over the past two decades. Ethiopia, among early adopters, has developed a water policy, legislations, and strategy per IWRM core principles. However, considerable constraints are still in its

Designing the Electronic Classroom: Applying Learning Theory and Ergonomic Design Principles.

Science.gov (United States)

Emmons, Mark; Wilkinson, Frances C.

2001-01-01

Applies learning theory and ergonomic principles to the design of effective learning environments for library instruction. Discusses features of electronic classroom ergonomics, including the ergonomics of physical space, environmental factors, and workstations; and includes classroom layouts. (Author/LRW)

Practical guide to electronic resources in the humanities

CERN Document Server

Dubnjakovic, Ana

2010-01-01

From full-text article databases to digitized collections of primary source materials, newly emerging electronic resources have radically impacted how research in the humanities is conducted and discovered. This book, covering high-quality, up-to-date electronic resources for the humanities, is an easy-to-use annotated guide for the librarian, student, and scholar alike. It covers online databases, indexes, archives, and many other critical tools in key humanities disciplines including philosophy, religion, languages and literature, and performing and visual arts. Succinct overviews of key eme

Electronic Stopping Power in LiF from First Principles

International Nuclear Information System (INIS)

Pruneda, J. M.; Sanchez-Portal, D.; Arnau, A.; Juaristi, J. I.; Artacho, Emilio

2007-01-01

Using time-dependent density-functional theory we calculate from first principles the rate of energy transfer from a moving proton or antiproton to the electrons of an insulating material, LiF. The behavior of the electronic stopping power versus projectile velocity displays an effective threshold velocity of ∼0.2 a.u. for the proton, consistent with recent experimental observations, and also for the antiproton. The calculated proton/antiproton stopping-power ratio is ∼2.4 at velocities slightly above the threshold (v∼0.4 a.u.), as compared to the experimental value of 2.1. The projectile energy loss mechanism is observed to be extremely local

Site-specific electronic structure analysis by channeling EELS and first-principles calculations.

Science.gov (United States)

Tatsumi, Kazuyoshi; Muto, Shunsuke; Yamamoto, Yu; Ikeno, Hirokazu; Yoshioka, Satoru; Tanaka, Isao

2006-01-01

Site-specific electronic structures were investigated by electron energy loss spectroscopy (EELS) under electron channeling conditions. The Al-K and Mn-L(2,3) electron energy loss near-edge structure (ELNES) of, respectively, NiAl2O4 and Mn3O4 were measured. Deconvolution of the raw spectra with the instrumental resolution function restored the blunt and hidden fine features, which allowed us to interpret the experimental spectral features by comparing with theoretical spectra obtained by first-principles calculations. The present method successfully revealed the electronic structures specific to the differently coordinated cationic sites.

Utilisation of Electronic Information Resources By Lecturers in ...

African Journals Online (AJOL)

This study assesses the use of information resources, specifically, electronic databases by lecturers/teachers in Universities and Colleges of Education in South Western Nigeria. Information resources are central to teachers' education. It provides lecturers/teachers access to information that enhances research and ...

Molecular electronics: insight from first-principles transport simulations.

Science.gov (United States)

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2010-01-01

Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect the electronic transport. Here we describe key computational ingredients and discuss these in relation to simulations for scanning tunneling microscopy (STM) experiments with C60 molecules where the experimental geometry is well characterized. We then show how molecular dynamics simulations may be combined with transport calculations to study more irregular situations, such as the evolution of a nanoscale contact with the mechanically controllable break-junction technique. Finally we discuss calculations of inelastic electron tunnelling spectroscopy as a characterization technique that reveals information about the atomic arrangement and transport channels.

Absolute Hydration Free Energy of Proton from First Principles Electronic Structure Calculations

International Nuclear Information System (INIS)

Zhan, Chang-Guo; Dixon, David A.

2001-01-01

The absolute hydration free energy of the proton, DGhyd298(H+), is one of the fundamental quantities for the thermodynamics of aqueous systems. Its exact value remains unknown despite extensive experimental and computational efforts. We report a first-principles determination of DGhyd298(H+) by using the latest developments in electronic structure theory and massively parallel computers. DGhyd298(H+) is accurately predicted to be -262.4 kcal/mol based on high-level, first-principles solvation-included electronic structure calculations. The absolute hydration free energies of other cations can be obtained by using appropriate available thermodynamic data in combination with this value. The high accuracy of the predicted absolute hydration free energy of proton is confirmed by applying the same protocol to predict DGhyd298(Li+)

Discipline, availability of electronic resources and the use of Finnish National Electronic Library - FinELib

Directory of Open Access Journals (Sweden)

Sanna Torma

2004-01-01

Full Text Available This study elaborated relations between digital library use by university faculty, users' discipline and the availability of key resources in the Finnish National Electronic Library (FinELib, Finnish national digital library, by using nationwide representative survey data. The results show that the perceived availability of key electronic resources by researchers in FinELib was a stronger predictor of the frequency and purpose of use of its services than users' discipline. Regardless of discipline a good perceived provision of central resources led to a more frequent use of FinELib. The satisfaction with the services did not vary with the discipline, but with the perceived availability of resources.

The Role of the Acquisitions Librarian in Electronic Resources Management

Science.gov (United States)

Pomerantz, Sarah B.

2010-01-01

With the ongoing shift to electronic formats for library resources, acquisitions librarians, like the rest of the profession, must adapt to the rapidly changing landscape of electronic resources by keeping up with trends and mastering new skills related to digital publishing, technology, and licensing. The author sought to know what roles…

Parallelization for first principles electronic state calculation program

International Nuclear Information System (INIS)

Watanabe, Hiroshi; Oguchi, Tamio.

1997-03-01

In this report we study the parallelization for First principles electronic state calculation program. The target machines are NEC SX-4 for shared memory type parallelization and FUJITSU VPP300 for distributed memory type parallelization. The features of each parallel machine are surveyed, and the parallelization methods suitable for each are proposed. It is shown that 1.60 times acceleration is achieved with 2 CPU parallelization by SX-4 and 4.97 times acceleration is achieved with 12 PE parallelization by VPP 300. (author)

Valuing lives and allocating resources: a defense of the modified youngest first principle of scarce resource distribution.

Science.gov (United States)

Tallman, Ruth

2014-06-01

In this paper, I argue that the 'modified youngest first' principle provides a morally appropriate criterion for making decisions regarding the distribution of scarce medical resources, and that it is morally preferable to the simple 'youngest first' principle. Based on the complete lives system's goal of maximizing complete lives rather than individual life episodes, I argue that essential to the value we see in complete lives is the first person value attributed by the experiencer of that life. For a life to be 'complete' or 'incomplete,' the subject of that life must be able to understand the concept of a complete life, to have started goals and projects, and to know what it would be for that life to be complete. As the very young are not able to do this, it can reasonably be said that their characteristically human lives have not yet begun, giving those accepting a complete lives approach good reason to accept the modified youngest first principle over a simple 'youngest first' approach. © 2012 John Wiley & Sons Ltd.

Preservation and conservation of electronic information resources of ...

African Journals Online (AJOL)

The major holdings of the broadcast libraries of the Nigerian Television Authority (NTA) are electronic information resources; therefore, providing safe places for general management of these resources have aroused interest in the industry in Nigeria for sometimes. The need to study the preservation and conservation of ...

What is so important about completing lives? A critique of the modified youngest first principle of scarce resource allocation.

Science.gov (United States)

Gamlund, Espen

2016-04-01

Ruth Tallman has recently offered a defense of the modified youngest first principle of scarce resource allocation [1]. According to Tallman, this principle calls for prioritizing adolescents and young adults between 15-40 years of age. In this article, I argue that Tallman's defense of the modified youngest first principle is vulnerable to important objections, and that it is thus unsuitable as a basis for allocating resources. Moreover, Tallman makes claims about the badness of death for individuals at different ages, but she lacks an account of the loss involved in dying to support her claims. To fill this gap in Tallman's account, I propose a view on the badness of death that I call 'Deprivationism'. I argue that this view explains why death is bad for those who die, and that it has some advantages over Tallman's complete lives view in the context of scarce resource allocation. Finally, I consider some objections to the relevance of Deprivationism to resource allocation, and offer my responses.

Building an electronic resource collection a practical guide

CERN Document Server

Lee, Stuart D

2004-01-01

This practical book guides information professionals step-by-step through building and managing an electronic resource collection. It outlines the range of electronic products currently available in abstracting and indexing, bibliographic, and other services and then describes how to effectively select, evaluate and purchase them.

Analysis of Human Resources Management Strategy in China Electronic Commerce Enterprises

Science.gov (United States)

Shao, Fang

The paper discussed electronic-commerce's influence on enterprise human resources management, proposed and proved the human resources management strategy which electronic commerce enterprise should adopt from recruitment strategy to training strategy, keeping talent strategy and other ways.

Using XML Technologies to Organize Electronic Reference Resources

OpenAIRE

Huser, Vojtech; Del Fiol, Guilherme; Rocha, Roberto A.

2005-01-01

Provision of access to reference electronic resources to clinicians is becoming increasingly important. We have created a framework for librarians to manage access to these resources at an enterprise level, rather than at the individual hospital libraries. We describe initial project requirements, implementation details, and some preliminary results.

Electronic Resources and Mission Creep: Reorganizing the Library for the Twenty-First Century

Science.gov (United States)

Stachokas, George

2009-01-01

The position of electronic resources librarian was created to serve as a specialist in the negotiation of license agreements for electronic resources, but mission creep has added more functions to the routine work of electronic resources such as cataloging, gathering information for collection development, and technical support. As electronic…

First principles study of electronic, elastic and thermal properties of lutetium intermetallics

International Nuclear Information System (INIS)

Pagare, Gitanjali; Chouhan, Sunil Singh; Soni, Pooja; Sanyal, S.P.; Rajagopalan, M.

2011-01-01

In the present work, the electronic, elastic and thermal properties of lutetium intermetallics LuX have been studied theoretically by using first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GCA)

Electronic Resources Management System: Recommendation Report 2017

KAUST Repository

Ramli, Rindra M.

2017-01-01

This recommendation report provides an overview of the selection process for the new Electronic Resources Management System. The library has decided to move away from Innovative Interfaces Millennium ERM module. The library reviewed 3 system

The Internet School of Medicine: use of electronic resources by medical trainees and the reliability of those resources.

Science.gov (United States)

Egle, Jonathan P; Smeenge, David M; Kassem, Kamal M; Mittal, Vijay K

2015-01-01

Electronic sources of medical information are plentiful, and numerous studies have demonstrated the use of the Internet by patients and the variable reliability of these sources. Studies have investigated neither the use of web-based resources by residents, nor the reliability of the information available on these websites. A web-based survey was distributed to surgical residents in Michigan and third- and fourth-year medical students at an American allopathic and osteopathic medical school and a Caribbean allopathic school regarding their preferred sources of medical information in various situations. A set of 254 queries simulating those faced by medical trainees on rounds, on a written examination, or during patient care was developed. The top 5 electronic resources cited by the trainees were evaluated for their ability to answer these questions accurately, using standard textbooks as the point of reference. The respondents reported a wide variety of overall preferred resources. Most of the 73 responding medical trainees favored textbooks or board review books for prolonged studying, but electronic resources are frequently used for quick studying, clinical decision-making questions, and medication queries. The most commonly used electronic resources were UpToDate, Google, Medscape, Wikipedia, and Epocrates. UpToDate and Epocrates had the highest percentage of correct answers (47%) and Wikipedia had the lowest (26%). Epocrates also had the highest percentage of wrong answers (30%), whereas Google had the lowest percentage (18%). All resources had a significant number of questions that they were unable to answer. Though hardcopy books have not been completely replaced by electronic resources, more than half of medical students and nearly half of residents prefer web-based sources of information. For quick questions and studying, both groups prefer Internet sources. However, the most commonly used electronic resources fail to answer clinical queries more than half

Heating electrons with ion irradiation: A first-principles approach

International Nuclear Information System (INIS)

Pruneda, J.M.; Sanchez-Portal, D.; Arnau, A.; Juaristi, J.I.; Artacho, E.

2009-01-01

Using time-dependent density functional theory we calculate from first-principles the rate of energy transfer from a moving charged particle to the electrons in an insulating material. The behavior of the electronic stopping power in LiF (a wide band gap insulator) versus projectile velocity displays an effective threshold velocity of 8.2 Bohr/asec for the proton, consistent with recent experimental observations. The calculated proton/antiproton stopping power ratio is 2.4 at velocities slightly above the threshold (16.5 Bohr/asec) as compared to the experimental value of 2.1. The approximations introduced in this new non-perturbative methodology are discussed, and results on the velocity dependence of the stopping power, the locality of the energy transfer, and other characteristics of the host material are presented.

ANALYTICAL REVIEW OF ELECTRONIC RESOURCES FOR THE STUDY OF LATIN

Directory of Open Access Journals (Sweden)

Olena Yu. Balalaieva

2014-04-01

Full Text Available The article investigates the current state of development of e-learning content in the Latin language. It is noted that the introduction of ICT in the educational space has expanded the possibility of studying Latin, opened access to digital libraries resources, made it possible to use scientific and educational potential and teaching Latin best practices of world's leading universities. A review of foreign and Ukrainian information resources and electronic editions for the study of Latin is given. Much attention was paid to the didactic potential of local and online multimedia courses of Latin, electronic textbooks, workbooks of interactive tests and exercises, various dictionaries and software translators, databases and digital libraries. Based on analysis of the world market of educational services and products the main trends in the development of information resources and electronic books are examined. It was found that multimedia courses with interactive exercises or workbooks with interactive tests, online dictionaries and translators are the most widely represented and demanded. The noticeable lagging of Ukrainian education and computer linguistics in quantitative and qualitative measures in this industry is established. The obvious drawback of existing Ukrainian resources and electronic editions for the study of Latin is their noninteractive nature. The prospects of e-learning content in Latin in Ukraine are outlined.

Elektronik Bilgi Kaynaklarının Seçimi / Selection of Electronic Information Resources

Directory of Open Access Journals (Sweden)

Pınar Al

2003-04-01

Full Text Available For many years, library users have used only from the printed media in order to get the information that they have needed. Today with the widespread use of the Web and the addition of electronic information resources to library collections, the use of information in the electronic environment as well as in printed media is started to be used. In time, such types of information resources as, electronic journals, electronic books, electronic encyclopedias, electronic dictionaries and electronic theses have been added to library collections. In this study, selection criteria that can be used for electronic information resources are discussed and suggestions are provided for libraries that try to select electronic information resources for their collections.

First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

Science.gov (United States)

Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

2018-05-01

We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

Renewable energy resources

DEFF Research Database (Denmark)

Ellabban, Omar S.; Abu-Rub, Haitham A.; Blaabjerg, Frede

2014-01-01

Electric energy security is essential, yet the high cost and limited sources of fossil fuels, in addition to the need to reduce greenhouse gasses emission, have made renewable resources attractive in world energy-based economies. The potential for renewable energy resources is enormous because...... they can, in principle, exponentially exceed the world's energy demand; therefore, these types of resources will have a significant share in the future global energy portfolio, much of which is now concentrating on advancing their pool of renewable energy resources. Accordingly, this paper presents how...... renewable energy resources are currently being used, scientific developments to improve their use, their future prospects, and their deployment. Additionally, the paper represents the impact of power electronics and smart grid technologies that can enable the proportionate share of renewable energy...

Structural and electronic phase transitions of ThS2 from first-principles calculations

International Nuclear Information System (INIS)

Guo, Yongliang; Wang, Changying; Qiu, Wujie; Ke, Xuezhi

2016-01-01

Performed a systematic study using first-principles methods of the pressure-induced structural and electronic phase transitions in ThS_2, which may play an important role in the next generation nuclear energy fuel technology.

New experimental limit on Pauli exclusion principle violation by electrons (VIP experiment)

Energy Technology Data Exchange (ETDEWEB)

Bartalucci, S [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy); Bertolucci, S [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy); Bragadireanu, M [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy)] (and others)

2007-05-15

The Pauli exclusion principle (PEP) represents one of the basic principles of modern physics and, even if there are no compelling reasons to doubt its validity, it still spurs a lively debate, because an intuitive, elementary explanation is still missing, and because of its unique stand among the basic symmetries of physics. A new limit on the probability that PEP is violated by electrons was estabilished by the VIP (Violation of the Pauli exclusion principle) Collaboration, using the method of searching for PEP forbidden atomic transitions in copper. The preliminary value, 1/2{beta}{sup 2} < 4.5 x 10{sup -28}, represents an improvement of about two orders of magnitude of the previous limit. The goal of VIP is to push this limit at the level of 10{sup -30}.

First-principles Electronic Structure Calculations for Scintillation Phosphor Nuclear Detector Materials

Science.gov (United States)

Canning, Andrew

2013-03-01

Inorganic scintillation phosphors (scintillators) are extensively employed as radiation detector materials in many fields of applied and fundamental research such as medical imaging, high energy physics, astrophysics, oil exploration and nuclear materials detection for homeland security and other applications. The ideal scintillator for gamma ray detection must have exceptional performance in terms of stopping power, luminosity, proportionality, speed, and cost. Recently, trivalent lanthanide dopants such as Ce and Eu have received greater attention for fast and bright scintillators as the optical 5d to 4f transition is relatively fast. However, crystal growth and production costs remain challenging for these new materials so there is still a need for new higher performing scintillators that meet the needs of the different application areas. First principles calculations can provide a useful insight into the chemical and electronic properties of such materials and hence can aid in the search for better new scintillators. In the past there has been little first-principles work done on scintillator materials in part because it means modeling f electrons in lanthanides as well as complex excited state and scattering processes. In this talk I will give an overview of the scintillation process and show how first-principles calculations can be applied to such systems to gain a better understanding of the physics involved. I will also present work on a high-throughput first principles approach to select new scintillator materials for fabrication as well as present more detailed calculations to study trapping process etc. that can limit their brightness. This work in collaboration with experimental groups has lead to the discovery of some new bright scintillators. Work supported by the U.S. Department of Homeland Security and carried out under U.S. Department of Energy Contract no. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory.

Library training to promote electronic resource usage

DEFF Research Database (Denmark)

Frandsen, Tove Faber; Tibyampansha, Dativa; Ibrahim, Glory

2017-01-01

Purpose: Increasing the usage of electronic resources is an issue of concern for many libraries all over the world. Several studies stress the importance of information literacy and instruction in order to increase the usage. Design/methodology/approach: The present article presents the results...

Why and How to Measure the Use of Electronic Resources

Directory of Open Access Journals (Sweden)

Jean Bernon

2008-11-01

Full Text Available A complete overview of library activity implies a complete and reliable measurement of the use of both electronic resources and printed materials. This measurement is based on three sets of definitions: document types, use types and user types. There is a common model of definitions for printed materials, but a lot of questions and technical issues remain for electronic resources. In 2006 a French national working group studied these questions. It relied on the COUNTER standard, but found it insufficient and pointed out the need for local tools such as web markers and deep analysis of proxy logs. Within the French national consortium COUPERIN, a new working group is testing ERMS, SUSHI standards, Shibboleth authentication, along with COUNTER standards, to improve the counting of the electronic resources use. At this stage this counting is insufficient and its improvement will be a European challenge for the future.

Possibility of experiments using radiation counters for test electron stability and Pauli principle violation in atoms

International Nuclear Information System (INIS)

Barabash, A.S.

1989-01-01

Capabilities of modern radiation detectors for investigation into electron stability and possible violation of Pauli principle in atoms are discussed. For experimental searches of electron instability the following low-background devices are used: scintillation NaI-detectors, semiconducting detectors of enriched germanium, emission chamber, multisection proportional counter and low-temperature detectors. It is ascertained that using modern low-background devices applying the earlier enumerated detectors, it is possible to achieve sensitivity of the order of 10 24 -10 25 years for the electron lifetime relatively to its decay and Pauli principle violation in atoms. Experiments with sensitivity of ∼ 10 26 -10 27 can be realized in massive low-temperature detectors, developed for neutrino physics. 28 refs; 1 fig

Community Water Governance on Mount Kenya: An Assessment Based on Ostrom’s Design Principles of Natural Resource Management

Directory of Open Access Journals (Sweden)

Jampel Dell’Angelo

2016-02-01

Full Text Available Kenyan river basin governance underwent a pioneering reform in the Water Act of 2002, which established new community water-management institutions. This article focuses on community water projects in the Likii Water Resource Users Association in the Upper Ewaso Ng’iro River basin on Mount Kenya, and the extent to which their features are consistent with Ostrom’s design principles of natural resource management. Although the projects have developed solid institutional structures, pressures such as hydroclimatic change, population growth, and water inequality challenge their ability to manage their water resources. Institutional homogeneity across the different water projects and congruence with the design principles is not necessarily a positive factor. Strong differences in household water flows within and among the projects point to the disconnection between apparently successful institutions and their objectives, such as fair and equitable water allocation.

Euler European Libraries and Electronic Resources in Mathematical Sciences

CERN Document Server

The Euler Project. Karlsruhe

The European Libraries and Electronic Resources (EULER) Project in Mathematical Sciences provides the EulerService site for searching out "mathematical resources such as books, pre-prints, web-pages, abstracts, proceedings, serials, technical reports preprints) and NetLab (for Internet resources), this outstanding engine is capable of simple, full, and refined searches. It also offers a browse option, which responds to entries in the author, keyword, and title fields. Further information about the Project is provided at the EULER homepage.

Testing and extending the triple match principle in the nursing profession: a generational perspective on job demands, job resources and strain at work.

Science.gov (United States)

Lavoie-Tremblay, Melanie; Trépanier, Sarah-Geneviève; Fernet, Claude; Bonneville-Roussy, Arielle

2014-02-01

The Triple Match Principle offers insight into the interactive interplay between job demands and job resources in the prediction of work-related strain. The aim of this article was to examine the interplay among job demands, job resources and strain in the nursing profession (the Triple Match Principle) and to gain insight into potential generational differences by investigating generation as a moderator of that interplay. No research has been done to evaluate generational differences in the Triple Match Principle. In a context of nursing shortages, it seems important to examine the relevance of the Triple Match Principle with respect to different generations of nurses. Cross-sectional study. A total of 1254 public healthcare sector nurses in Quebec, Canada, completed a questionnaire in the autumn of 2010. The questionnaire was used to assess cognitive, emotional and physical job demands and resources; psychological distress; psychosomatic complaints; and turnover intention. The results supported the Triple Match Principle and showed that job resources were more likely to buffer the effect of job demands on strain as the degree of match in qualitative dimension among demands, resources and strain increased (33·3% of triple-match interactions, 22·22% of double-match interactions and 16·67% non-match interactions were significant). Moreover, generation played a key role in this interplay, as it increased the number of significant qualitative interactions among job demands, job resources and strain. The results underscore the necessity of providing adequate job resources tailored to the specific job demands nurses face, to counteract the negative effects of those demands. © 2013 John Wiley & Sons Ltd.

Effects of Electronic Information Resources Skills Training for Lecturers on Pedagogical Practices and Research Productivity

Science.gov (United States)

Bhukuvhani, Crispen; Chiparausha, Blessing; Zuvalinyenga, Dorcas

2012-01-01

Lecturers use various electronic resources at different frequencies. The university library's information literacy skills workshops and seminars are the main sources of knowledge of accessing electronic resources. The use of electronic resources can be said to have positively affected lecturers' pedagogical practices and their work in general. The…

Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Yuan, Junhui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Yu, Niannian [School of Science, Wuhan University of Technology, Wuhan, Hubei 430070 (China); Xue, Kanhao, E-mail: xkh@hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Miao, Xiangshui [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China)

2017-07-01

Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

Stability, electronic and thermodynamic properties of aluminene from first-principles calculations

International Nuclear Information System (INIS)

Yuan, Junhui; Yu, Niannian; Xue, Kanhao; Miao, Xiangshui

2017-01-01

Highlights: • We have predicted two NEW stable phases of atomic layer aluminum, buckled and 8-Pmmn aluminene. • We have revealed the electronic structures and bonding characteristics of aluminene. • Thermodynamic properties of aluminene were investigated based on phonon properties. - Abstract: Using first-principles calculations based on density functional theory (DFT), we have investigated the structure stability and electronic properties of both buckled and 8-Pmmn phase aluminene. Phonon dispersion analysis reveals that the buckled and 8-Pmmn aluminene are dynamically stable. The band structure shows that both the buckled and 8-Pmmn aluminene exhibit metallic behavior. Finally, the thermodynamic properties are investigated based on phonon properties.

Analysis of electron-positron momentum spectra of metallic alloys as supported by first-principles calculations

OpenAIRE

Folegati, P.; Makkonen, I.; Ferragut, R.; Puska, Martti J.

2007-01-01

Electron-positron momentum distributions measured by the coincidence Doppler broadening method can be used in the chemical analysis of the annihilation environment, typically a vacancy-impurity complex in a solid. In the present work, we study possibilities for a quantitative analysis, i.e., for distinguishing the average numbers of different atomic species around the defect. First-principles electronic structure calculations self-consistently determining electron and positron densities and i...

First-principles calculations of structural, electronic and optical properties of CdxZn1-xS alloys

KAUST Repository

Noor, Naveed Ahmed; Ikram, Nazma; Ali, Sana Zulfiqar; Nazir, Safdar; Alay-E-Abbas, Syed Muhammad; Shaukat, Ali

2010-01-01

Structural, electronic and optical properties of ternary alloy system CdxZn1-xS have been studied using first-principles approach based on density functional theory. Electronic structure, density of states and energy band gap values for CdxZn1-xS

Electronic Commerce Resource Centers. An Industry--University Partnership.

Science.gov (United States)

Gulledge, Thomas R.; Sommer, Rainer; Tarimcilar, M. Murat

1999-01-01

Electronic Commerce Resource Centers focus on transferring emerging technologies to small businesses through university/industry partnerships. Successful implementation hinges on a strategic operating plan, creation of measurable value for customers, investment in customer-targeted training, and measurement of performance outputs. (SK)

Review of crisis resource management (CRM) principles in the setting of intraoperative malignant hyperthermia.

Science.gov (United States)

Isaak, Robert Scott; Stiegler, Marjorie Podraza

2016-04-01

The practice of medicine is characterized by routine and typical cases whose management usually goes according to plan. However, the occasional case does arise which involves rare catastrophic emergencies, such as intraoperative malignant hyperthermia (MH), which require a comprehensive, coordinated, and resource-intensive treatment plan. Physicians are expected to provide expert quality care for routine, typical cases, but is it reasonable to expect the same standard of expertise and comprehensive management when the emergency involves a rare entity? Although physicians would like to say yes to this question, the reality is that no physician will ever amass the amount of experience in patient care needed to truly qualify as an expert in the management of a rare emergency entity, such as MH. However, physicians can become expert in the global process of managing emergencies by using the principles of crisis resource management (CRM). In this article, we review the key concepts of CRM, using a real life example of a team who utilized CRM principles to successfully manage an intraoperative MH crisis, despite there being no one on the team who had ever previously encountered a true MH crisis.

Physics of electronic materials principles and applications

CERN Document Server

Rammer, Jorgen

2017-01-01

Adopting a uniquely pedagogical approach, this comprehensive textbook on the quantum mechanics of semiconductor materials and devices focuses on the materials, components and devices themselves whilst incorporating a substantial amount of fundamental physics related to condensed matter theory and quantum mechanics. Written primarily for advanced undergraduate students in physics and engineering, this book can also be used as a supporting text for introductory quantum mechanics courses, and will be of interest to anyone interested in how electronic devices function at a fundamental level. Complete with numerous exercises, and with all the necessary mathematics and physics included in appendices, this book guides the reader seamlessly through the principles of quantum mechanics and the quantum theory of metals and semiconductors, before describing in detail how devices are exploited within electric circuits and in the hardware of computers, for example as amplifiers, switches and transistors. Includes nume...

Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

International Nuclear Information System (INIS)

Klepeis, J E

2005-01-01

The purpose of this paper is to provide an introduction for non-experts to first-principles electronic structure methods that are widely used in the field of condensed-matter physics, including applications to actinide materials. The methods I describe are based on density functional theory (DFT) within the local density approximation (LDA) and the generalized gradient approximation (GGA). In addition to explaining the meaning of this terminology I also describe the underlying theory itself in some detail in order to enable a better understanding of the relative strengths and weaknesses of the methods. I briefly mention some particular numerical implementations of DFT, including the linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods, as well as general methodologies that go beyond DFT and specifically address some of the weaknesses of the theory. The last third of the paper is devoted to a few selected applications that illustrate the ideas discussed in the first two-thirds. In particular, I conclude by addressing the current controversy regarding magnetic DFT calculations for actinide materials. Throughout this paper particular emphasis is placed on providing the appropriate background to enable the non-expert to gain a better appreciation of the application of first-principles electronic structure methods to the study of actinide and other materials

Electronic structure of B-doped diamond: A first-principles study

Directory of Open Access Journals (Sweden)

T. Oguchi

2006-01-01

Full Text Available Electronic structure of B-doped diamond is studied based on first-principles calculations with supercell models for substitutional and interstitial doping at 1.5–3.1 at.% B concentrations. Substitutional doping induces holes around the valence-band maximum in a rigid-band fashion. The nearest neighbor C site to B shows a large energy shift of 1s core state, which may explain reasonably experimental features in recent photoemission and X-ray absorption spectra. Doping at interstitial Td site is found to be unstable compared with that at the substitutional site

Second-principles method for materials simulations including electron and lattice degrees of freedom

Science.gov (United States)

García-Fernández, Pablo; Wojdeł, Jacek C.; Íñiguez, Jorge; Junquera, Javier

2016-05-01

We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive quantum-mechanical theory—e.g., density functional theory—and its accuracy can be systematically improved at a very modest computational cost. Our approach is based on dividing the electron density of the system into a reference part—typically corresponding to the system's neutral, geometry-dependent ground state—and a deformation part—defined as the difference between the actual and reference densities. We then take advantage of the fact that the bulk part of the system's energy depends on the reference density alone; this part can be efficiently and accurately described by a force field, thus avoiding explicit consideration of the electrons. Then, the effects associated to the difference density can be treated perturbatively with good precision by working in a suitably chosen Wannier function basis. Further, the electronic model can be restricted to the bands of interest. All these features combined yield a very flexible and computationally very efficient scheme. Here we present the basic formulation of this approach, as well as a practical strategy to compute model parameters for realistic materials. We illustrate the accuracy and scope of the proposed method with two case studies, namely, the relative stability of various spin arrangements in NiO (featuring complex magnetic interactions in a strongly-correlated oxide) and the formation of a two-dimensional electron gas at the interface between band insulators LaAlO3 and SrTiO3 (featuring subtle electron-lattice couplings and screening effects). We conclude by discussing ways to overcome the limitations of the present approach (most notably, the assumption of a fixed bonding topology), as well as its many envisioned possibilities and future extensions.

Electronic resources of the rare books and valuable editions department of the Central Scientific Library of the V.N. Karazin Kharkiv National University: open access for research

Directory of Open Access Journals (Sweden)

І. К. Журавльова

2014-12-01

Full Text Available The article describes tasks that electronic collections of rare books fulfill: broad access for readers to rare and valuable editions providing, preservation of ensuring of the original. On the example of the electronic collection of the Central Scientific Library of the V.N. Karazin Kharkiv National University – «eScriptorium: electronic archive of rare books and manuscripts for research and education» the possibility of the full-text resources of the valuable editions using is shown. The principles of creation, structure, chronological frameworks, directions of adding the documents to the archive are represented. The perspectives of the project development are outlined as well as examples of the digital libraries of the European countries and Ukraine are provided, the actual task of preserving the originals of the rare books of the country is raised, the innovative approaches to serving users with electronic resources are considered. The evidences of cooperation of the Central Scientific Library of the V.N. Karazin Kharkiv National University with the largest world digital libraries: World Digital Library and Europeana are provided.

How bioethics principles can aid design of electronic health records to accommodate patient granular control.

Science.gov (United States)

Meslin, Eric M; Schwartz, Peter H

2015-01-01

Ethics should guide the design of electronic health records (EHR), and recognized principles of bioethics can play an important role. This approach was recently adopted by a team of informaticists who are designing and testing a system where patients exert granular control over who views their personal health information. While this method of building ethics in from the start of the design process has significant benefits, questions remain about how useful the application of bioethics principles can be in this process, especially when principles conflict. For instance, while the ethical principle of respect for autonomy supports a robust system of granular control, the principles of beneficence and nonmaleficence counsel restraint due to the danger of patients being harmed by restrictions on provider access to data. Conflict between principles has long been recognized by ethicists and has even motivated attacks on approaches that state and apply principles. In this paper, we show how using ethical principles can help in the design of EHRs by first explaining how ethical principles can and should be used generally, and then by discussing how attention to details in specific cases can show that the tension between principles is not as bad as it initially appeared. We conclude by suggesting ways in which the application of these (and other) principles can add value to the ongoing discussion of patient involvement in their health care. This is a new approach to linking principles to informatics design that we expect will stimulate further interest.

Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle

Energy Technology Data Exchange (ETDEWEB)

Barletti, Luigi, E-mail: luigi.barletti@unifi.it [Dipartimento di Matematica e Informatica “Ulisse Dini”, Università degli Studi di Firenze, Viale Morgagni 67/A, 50134 Firenze (Italy)

2014-08-15

The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.

USE OF ELECTRONIC EDUCATIONAL RESOURCES WHEN TRAINING IN WORK WITH SPREADSHEETS

Directory of Open Access Journals (Sweden)

Х А Гербеков

2017-12-01

Full Text Available Today the tools for maintaining training courses based on opportunities of information and communication technologies are developed. Practically in all directions of preparation and on all subject matters electronic textbook and self-instruction manuals are created. Nevertheless the industry of computer educational and methodical materials actively develops and gets more and more areas of development and introduction. In this regard more and more urgent is a problem of development of the electronic educational resources adequate to modern educational requirements. Creation and the organization of training courses with use of electronic educational resources in particular on the basis of Internet technologies remains a difficult methodical task.In article the questions connected with development of electronic educational resources for use when studying the substantial line “Information technologies” of a school course of informatics in particular for studying of spreadsheets are considered. Also the analysis of maintenance of a school course and the unified state examination from the point of view of representation of task in him corresponding to the substantial line of studying “Information technologies” on mastering technology of information processing in spreadsheets and the methods of visualization given by means of charts and schedules is carried out.

The Agrarian Natural Resource Use in the Area of Risky Farming: Principles and Priorities for Rationalization

Directory of Open Access Journals (Sweden)

Golyan Vasyl A.

2017-07-01

Full Text Available The essence of agrarian natural resource use as an important prerequisite for agricultural production in the area of risky farming (drainage zone, irrigation zone, and mountainous areas has been disclosed. The problem points of rationalizing the agrarian natural resource use in the drainage zone have been identified in relation to the structural deformations of agricultural production. The main sectoral and institutional priorities for agrarian natural resource use in the drainage zone have been determined. The principles of agrarian natural resource use in the area of risky farming have been formulated, consisting in the restoration of traditional agricultural specialization, maintaining the environmental-economic balance, ensuring the adaptability to international environmental conventions, comprehensively countering the rural poverty, overcoming the asymmetry in information, preserving the food orientation of agricultural production, and transforming negative externalities into positive effects.

An alternative policy evaluation of the British Columbia carbon tax: broadening the application of Elinor Ostrom's design principles for managing common-pool resources

Directory of Open Access Journals (Sweden)

Karine Lacroix

2015-06-01

Full Text Available Climate change is putting infrastructure, food supply, water resources, ecosystems, and human health at risk. These risks will be exacerbated depending on the degree of additional greenhouse gas emissions. Urgent action is needed to limit the severity of impacts associated with further warming. British Columbia (BC has taken action to reduce greenhouse gas emissions from carbon-based fuels by introducing a carbon tax in 2008. As an innovative approach to climate change mitigation, especially in North America, studies evaluating its effectiveness are valuable. We assessed the long-term viability potential of the BC carbon tax using common pool resource design principles, a novel application of the design principles to environmental policy. We found that the design principles can be applied productively to environmental policy and larger scale air pollution problems. With regard to the BC carbon tax, our findings suggest that closer monitoring of user behavior, further increases of the tax over time, and pursuing efforts for a more elaborate system of nested enterprises and interjurisdictional cooperation could increase the long-term success of the BC carbon tax. We also found that the design principles allowed us to more comprehensively reach conclusions regarding the broader effectiveness of the tax when compared to existing policy analysis. Traditionally, climate policy evaluation has focused on the end goal without considering broader constraints and issues of resource allocation. We suggest that common pool resource theory, which is based on strong theoretical principles and encourages reflexivity, will be able to address those limitations.

Time-dependent first-principles study of angle-resolved secondary electron emission from atomic sheets

Science.gov (United States)

Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki

2018-02-01

Angle-resolved secondary electron emission (ARSEE) spectra were analyzed for two-dimensional atomic sheets using a time-dependent first-principles simulation of electron scattering. We demonstrate that the calculated ARSEE spectra capture the unoccupied band structure of the atomic sheets. The excitation dynamics that lead to SEE have also been revealed by the time-dependent Kohn-Sham decomposition scheme. In the present study, the mechanism for the experimentally observed ARSEE from atomic sheets is elucidated with respect to both energetics and the dynamical aspects of SEE.

A first-principles study of the electronic structure of the sulvanite compounds

Energy Technology Data Exchange (ETDEWEB)

Osorio-Guillen, J.M., E-mail: jorge.osorio@fisica.udea.edu.co [Instituto de Fisica, Universidad de Antioquia, Medellin A.A. 1226 (Colombia); Espinosa-Garcia, W.F. [Instituto de Fisica, Universidad de Antioquia, Medellin A.A. 1226 (Colombia)

2012-03-15

We have investigated by means of first-principles total energy calculations the electronic structure of the sulvanite compounds: Cu{sub 3}VS{sub 4}, Cu{sub 3}NbS{sub 4} and Cu{sub 3}TaS{sub 4}; the later is a possible candidate as a p-type transparent conductor with potential applications in solar cells and electrochromic devices. The calculated electronic structure shows that these compounds are indirect band gap semiconductors, with the valence band maximum located at the R-point and the conduction band minimum located at the X-point. The character of the valence band maximum is dominated by Cu d-states and the character of the conduction band minimum is due to the d-states of the group five elements. From the calculated charge density and electron localisation function we can conclude that the sulvanite compounds are polar covalent semiconductors.

Study on atomic and electronic structures of ceramic materials using spectroscopy, microscopy, and first principles calculation

International Nuclear Information System (INIS)

Mizoguchi, Teruyasu

2011-01-01

In this review, following two topics are introduced: 1) experimental and theoretical electron energy loss (EEL) near edge structures (ELNES) and X-ray absorption near edge structures (XANES), and 2) atomic and electronic structure analysis of ceramic interface by combing spectroscopy, microscopy, and first principles calculation. In the ELNES/XANES calculation, it is concluded that inclusion of core-hole effect in the calculation is essential. By combining high energy resolution observation and theoretical calculation, detailed analysis of the electronic structure is achieved. In addition, overlap population (OP) diagram is used to interpret the spectrum. In the case of AlN, sharp and intense first peak of N-K edge is found to reflect narrow dispersion of the conduction band bottom. By applying ELNES and the OP diagram to Cu/Al 2 O 3 heterointerface, it is revealed that intensity of prepeak in O-K edge is inverse proportional to interface strength. The relationships between atomic structure and defect energetics at SrTiO 3 grain boundary are also investigated, and reveal that the formation behavior of Ti vacancy is sensitive to the structural distortion. In addition, by using state-of-the-art spectroscopy, microscopy, and first principles calculations, atomic scale visualization of fluorine dopant in LaFeOAs and first principles calculation of HfO 2 phase transformation are demonstrated. (author)

Electronic Properties of Corrugated Graphene, the Heisenberg Principle and Wormhole Geometry in Solid State

International Nuclear Information System (INIS)

Atanasov, Victor; Saxena, Avadh

2010-12-01

Adopting a purely two dimensional relativistic equation for graphene's carriers contradicts the Heisenberg uncertainty principle since it requires setting off-the-surface coordinate of a three-dimensional wavefunction to zero. Here we present a theoretical framework for describing graphene's massless relativistic carriers in accordance with this most fundamental of all quantum principles. A gradual confining procedure is used to restrict the dynamics onto a surface and in the process the embedding of this surface into the three dimensional world is accounted for. As a result an invariant geometric potential arises which scales linearly with the Mean curvature and shifts the Fermi energy of the material proportional to bending. Strain induced modification of the electronic properties or 'straintronics' is clearly an important field of study in graphene. This opens a venue to producing electronic devices, MEMS and NEMS where the electronic properties are controlled by geometric means and no additional alteration of graphene is necessary. The appearance of this geometric potential also provides us with clues as to how quantum dynamics looks like in the curved space-time of general relativity. In this context, we explore a two-dimensional cross-section of the wormhole geometry realized with graphene as a solid state thought experiment. (author)

Page 170 Use of Electronic Resources by Undergraduates in Two ...

African Journals Online (AJOL)

undergraduate students use electronic resources such as NUC virtual library, HINARI, ... web pages articles from magazines, encyclopedias, pamphlets and other .... of Nigerian university libraries have Internet connectivity, some of the system.

Energy principle for excitations in plasmas with counterstreaming electron flows

Science.gov (United States)

Kumar, Atul; Shukla, Chandrasekhar; Das, Amita; Kaw, Predhiman

2018-05-01

A relativistic electron beam propagating through plasma induces a return electron current in the system. Such a system of interpenetrating forward and return electron current is susceptible to a host of instabilities. The physics of such instabilities underlies the conversion of the flow kinetic energy to the electromagnetic field energy. Keeping this in view, an energy principle analysis has been enunciated in this paper. Such analyses have been widely utilized earlier in the context of conducting fluids described by MHD model [I. B. Bernstein et al., Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 244(1236), 17-40 (1958)]. Lately, such an approach has been employed for the electrostatic two stream instability for the electron beam plasma system [C. N. Lashmore-Davies, Physics of Plasmas 14(9), 092101 (2007)]. In contrast, it has been shown here that even purely growing mode like Weibel/current filamentation instability for the electron beam plasma system is amenable to such a treatment. The treatment provides an understanding of the energetics associated with the growing mode. The growth rate expression has also been obtained from it. Furthermore, it has been conclusively demonstrated in this paper that for identical values of S4=∑αn0 αv0α 2/n0γ0 α, the growth rate is higher when the counterstreaming beams are symmetric (i.e. S3 = ∑αn0αv 0α/n0γ0α = 0) compared to the case when the two beams are asymmetric (i.e. when S3 is finite). Here, v 0α, n0α and γ0α are the equilibrium velocity, electron density and the relativistic factor for the electron species `α' respectively and n0 = ∑αn0α is the total electron density. Particle - In - Cell simulations have been employed to show that the saturated amplitude of the field energy is also higher in the symmetric case.

A survey of the use of electronic scientific information resources among medical and dental students

Directory of Open Access Journals (Sweden)

Aarnio Matti

2006-05-01

Full Text Available Abstract Background To evaluate medical and dental students' utilization of electronic information resources. Methods A web survey sent to 837 students (49.9% responded. Results Twenty-four per cent of medical students and ninteen per cent of dental students searched MEDLINE 2+ times/month for study purposes, and thiry-two per cent and twenty-four per cent respectively for research. Full-text articles were used 2+ times/month by thirty-three per cent of medical and ten per cent of dental students. Twelve per cent of respondents never utilized either MEDLINE or full-text articles. In multivariate models, the information-searching skills among students were significantly associated with use of MEDLINE and full-text articles. Conclusion Use of electronic resources differs among students. Forty percent were non-users of full-text articles. Information-searching skills are correlated with the use of electronic resources, but the level of basic PC skills plays not a major role in using these resources. The student data shows that adequate training in information-searching skills will increase the use of electronic information resources.

Access to electronic information resources by students of federal ...

African Journals Online (AJOL)

The paper discusses access to electronic information resources by students of Federal Colleges of Education in Eha-Amufu and Umunze. Descriptive survey design was used to investigate sample of 526 students. Sampling technique used was a Multi sampling technique. Data for the study were generated using ...

Adoption and use of electronic information resources by medical ...

African Journals Online (AJOL)

This study investigated the adoption and use of electronic information resources by medical science students of the University of Benin. The descriptive survey research design was adopted for the study and 390 students provided the data. Data collected were analysed with descriptive Statistics(Simple percentage and ...

36 CFR 219.2 - Principles.

Science.gov (United States)

2010-07-01

... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Principles. 219.2 Section 219... Forest System Land and Resource Management Planning Purpose and Principles § 219.2 Principles. The planning regulations in this subpart are based on the following principles: (a) The first priority for...

Where Do Electronic Books Fit in the College Research Arsenal of Resources?

Science.gov (United States)

Barbier, Patricia

2007-01-01

Student use of electronic books has become an accepted supplement to traditional resources. Student use and satisfaction was monitored through an online course discussion board. Increased use of electronic books indicate this service is an accepted supplement to the print book collection.

First-principles real-space tight-binding LMTO calculation of electronic structures for atomic clusters

International Nuclear Information System (INIS)

Xie, Z.L.; Dy, K.S.; Wu, S.Y.

1997-01-01

A real-space scheme has been developed for a first-principles calculation of electronic structures and total energies of atomic clusters. The scheme is based on the combination of the tight-binding linear muffin-tin orbital (TBLMTO) method and the method of real-space Green close-quote s function. With this approach, the local electronic density of states can be conveniently determined from the real-space Green close-quote s function. Furthermore, the full electron density of a cluster can be directly calculated in real space. The scheme has been shown to be very efficient due to the incorporation of the method of real-space Green close-quote s function and Delley close-quote s method of evaluating multicenter integrals. copyright 1996 The American Physical Society

A first-principles study of the electronic structure and stability of Be(BH4)2

NARCIS (Netherlands)

Setten, M.J. van; Wijs, G.A. de; Brocks, G.

2007-01-01

Alanates and boranates are studied intensively because of their potential use as hydrogen storage materials. In this paper we present a first-principles study of the electronic structure and the energetics of beryllium boranate, Be(BH4)2. From total energy calculations we show that - in contrast to

Electronic and optical properties of new multifunctional materials via half-substituted hematite: First principles calculations

KAUST Repository

Yang, Hua; Mi, Wenbo; Bai, Haili; Cheng, Yingchun

2012-01-01

Electronic structure and optical properties of α-FeMO 3 systems (M = Sc, Ti, V, Cr, Cu, Cd or In) have been investigated using first principles calculations. All of the FeMO 3 systems have a large net magnetic moment. The ground state of pure α-Fe 2

A first principles investigation of the electronic structure of actinide oxides

DEFF Research Database (Denmark)

Petit, Leon; Svane, Axel; Szotek, Zdzislawa

2010-01-01

The ground state electronic structures of the actinide oxides AO, A2O3 and AO2 (A=U, Np, Pu, Am, Cm, Bk, Cf) are determined from first-principles calculations using the selfinteraction corrected local spin-density approximation. Our study reveals a strong link between preferred oxidation number...... and degree of localization. The ionic nature of the actinide oxides emerges from the fact that those oxides where the ground state is calculated to be metallic do not exist in nature, as the corresponding delocalized f-states favour the accommodation of additional O atoms into the crystal lattice....

Strategic Planning for Electronic Resources Management: A Case Study at Gustavus Adolphus College

Science.gov (United States)

Hulseberg, Anna; Monson, Sarah

2009-01-01

Electronic resources, the tools we use to manage them, and the needs and expectations of our users are constantly evolving; at the same time, the roles, responsibilities, and workflow of the library staff who manage e-resources are also in flux. Recognizing a need to be more intentional and proactive about how we manage e-resources, the…

REVIEW OF MOODLE PLUGINS FOR DESIGNING MULTIMEDIA ELECTRONIC EDUCATIONAL RESOURCES FROM LANGUAGE DISCIPLINES

Directory of Open Access Journals (Sweden)

Anton M. Avramchuk

2015-09-01

Full Text Available Today the problem of designing multimedia electronic educational resources from language disciplines in Moodle is very important. This system has a lot of different, powerful resources, plugins to facilitate the learning of students with language disciplines. This article presents an overview and comparative analysis of the five Moodle plugins for designing multimedia electronic educational resources from language disciplines. There have been considered their key features and functionality in order to choose the best for studying language disciplines in the Moodle. Plugins are compared by a group of experts according to the criteria: efficiency, functionality and easy use. For a comparative analysis of the plugins it is used the analytic hierarchy process.

First principle study of structural, electronic and magnetic properties of zigzag boron nitride nanoribbon: Role of vacancies

Energy Technology Data Exchange (ETDEWEB)

Kumar, Arun [Department of Physics, Govt. College Banjar, Kullu, Himanchal Pradesh, 175123 India (India); Bahadur, Amar, E-mail: abr.phys@gmail.com [Department of Physics, Kamla Nehru Institute of Physical and Social Sciences, Sultanpur, Uttar Pradesh, 228118 India (India); Mishra, Madhukar [Department of Physics, Birla Institute of Technology and Science, Pilani, Rajasthan, 333031 India (India); Vasudeva, Neena [Department of Physics, S. V. G. College, Ghumarwin, Bilaspur, Himanchal Pradesh, 1714021 India (India)

2015-05-15

We study the effect of vacancies on the structural, electronic and magnetic properties of zigzag boron nitride nanoribbon (ZBNNR) by using first principle calculations. We find that the shift of the vacancies with respect to the ribbon edges causes change in the structural geometry, electronic structure and magnetization of ZBNNR. These vacancies also produce band gap modulation and consequently results the magnetization of ZBNNR.

First-principles electronic functionalization of silicene and germanene by adatom chemisorption

Energy Technology Data Exchange (ETDEWEB)

Broek, B. van den; Houssa, M.; Scalise, E. [Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium); Pourtois, G. [IMEC, 75 Kapeldreef, B-3001 Leuven (Belgium); Department of Chemistry, Plasmant Research Group, University of Antwerp, B-2610 Wilrijk-Antwerp (Belgium); Afanas‘ev, V.V.; Stesmans, A. [Semiconductor Physics Laboratory, Department of Physics and Astronomy, University of Leuven, Celestijnenlaan 200 D, B-3001 Leuven (Belgium)

2014-02-01

This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct Γ gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems.

Modern ICT Tools: Online Electronic Resources Sharing Using Web ...

African Journals Online (AJOL)

Modern ICT Tools: Online Electronic Resources Sharing Using Web 2.0 and Its Implications For Library And Information Practice In Nigeria. ... The PDF file you selected should load here if your Web browser has a PDF reader plug-in installed (for example, a recent version of Adobe Acrobat Reader). If you would like more ...

75 FR 9878 - Draft Principles and Standards Sections of the “Economic and Environmental Principles and...

Science.gov (United States)

2010-03-04

... COUNCIL ON ENVIRONMENTAL QUALITY Draft Principles and Standards Sections of the ``Economic and... the ``Economic and Environmental Principles and Guidelines for Water and Related Land Resources... may be accessed at the Internet addresses indicated: ``Economic and Environmental Principles and...

Synchrotron radiation and free-electron lasers principles of coherent X-ray generation

CERN Document Server

Kim, Kwang-Je; Lindberg, Ryan

2017-01-01

Learn about the latest advances in high-brightness X-ray physics and technology with this authoritative text. Drawing upon the most recent theoretical developments, pre-eminent leaders in the field guide readers through the fundamental principles and techniques of high-brightness X-ray generation from both synchrotron and free-electron laser sources. A wide range of topics is covered, including high-brightness synchrotron radiation from undulators, self-amplified spontaneous emission, seeded high-gain amplifiers with harmonic generation, ultra-short pulses, tapering for higher power, free-electron laser oscillators, and X-ray oscillator and amplifier configuration. Novel mathematical approaches and numerous figures accompanied by intuitive explanations enable easy understanding of key concepts, whilst practical considerations of performance-improving techniques and discussion of recent experimental results provide the tools and knowledge needed to address current research problems in the field. This is a comp...

THE MODEL OF LINGUISTIC TEACHERS’ COMPETENCY DEVELOPMENT ON DESIGNING MULTIMEDIA ELECTRONIC EDUCATIONAL RESOURCES IN THE MOODLE SYSTEM

Directory of Open Access Journals (Sweden)

Anton M. Avramchuk

2017-10-01

Full Text Available The article is devoted to the problem of developing the competency of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system. The concept of "the competence of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system" is justified and defined. Identified and characterized the components by which the levels of the competency development of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system should be assessed. Developed a model for the development of the competency of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system, which is based on the main scientific approaches, used in adult education, and consists of five blocks: target, informative, technological, diagnostic and effective.

Developing Humanities Collections in the Digital Age: Exploring Humanities Faculty Engagement with Electronic and Print Resources

Science.gov (United States)

Kachaluba, Sarah Buck; Brady, Jessica Evans; Critten, Jessica

2014-01-01

This article is based on quantitative and qualitative research examining humanities scholars' understandings of the advantages and disadvantages of print versus electronic information resources. It explores how humanities' faculty members at Florida State University (FSU) use print and electronic resources, as well as how they perceive these…

Electronic resource management systems a workflow approach

CERN Document Server

Anderson, Elsa K

2014-01-01

To get to the bottom of a successful approach to Electronic Resource Management (ERM), Anderson interviewed staff at 11 institutions about their ERM implementations. Among her conclusions, presented in this issue of Library Technology Reports, is that grasping the intricacies of your workflow-analyzing each step to reveal the gaps and problems-at the beginning is crucial to selecting and implementing an ERM. Whether the system will be used to fill a gap, aggregate critical data, or replace a tedious manual process, the best solution for your library depends on factors such as your current soft

Electronic Resource Management System. Vernetzung von Lizenzinformationen

Directory of Open Access Journals (Sweden)

Michaela Selbach

2014-12-01

Full Text Available In den letzten zehn Jahren spielen elektronische Ressourcen im Bereich der Erwerbung eine zunehmend wichtige Rolle: Eindeutig lässt sich hier ein Wandel in den Bibliotheken (fort vom reinen Printbestand zu immer größeren E-Only-Beständen feststellen. Die stetig wachsende Menge an E-Ressourcen und deren Heterogenität stellt Bibliotheken vor die Herausforderung, die E-Ressourcen effizient zu verwalten. Nicht nur Bibliotheken, sondern auch verhandlungsführende Institutionen von Konsortial- und Allianzlizenzen benötigen ein geeignetes Instrument zur Verwaltung von Lizenzinformationen, welches den komplexen Anforderungen moderner E-Ressourcen gerecht wird. Die Deutsche Forschungsgemeinschaft (DFG unterstützt ein Projekt des Hochschulbibliothekszentrums des Landes Nordrhein-Westfalen (hbz, der Universitätsbibliothek Freiburg, der Verbundzentrale des Gemeinsamen Bibliotheksverbundes (GBV und der Universitätsbibliothek Frankfurt, in dem ein bundesweit verfügbares Electronic Ressource Managementsystem (ERMS aufgebaut werden soll. Ein solches ERMS soll auf Basis einer zentralen Knowledge Base eine einheitliche Nutzung von Daten zur Lizenzverwaltung elektronischer Ressourcen auf lokaler, regionaler und nationaler Ebene ermöglichen. Statistische Auswertungen, Rechteverwaltung für alle angeschlossenen Bibliotheken, kooperative Datenpflege sowie ein über standardisierte Schnittstellen geführter Datenaustausch stehen bei der Erarbeitung der Anforderungen ebenso im Fokus wie die Entwicklung eines Daten- und Funktionsmodells. In the last few years the importance of electronic resources in library acquisitions has increased significantly. There has been a shift from mere print holdings to both e- and print combinations and even e-only subscriptions. This shift poses a double challenge for libraries: On the one hand they have to provide their e-resource collections to library users in an appealing way, on the other hand they have to manage these

The Electron Microscopy Outreach Program: A Web-based resource for research and education.

Science.gov (United States)

Sosinsky, G E; Baker, T S; Hand, G; Ellisman, M H

1999-01-01

We have developed a centralized World Wide Web (WWW)-based environment that serves as a resource of software tools and expertise for biological electron microscopy. A major focus is molecular electron microscopy, but the site also includes information and links on structural biology at all levels of resolution. This site serves to help integrate or link structural biology techniques in accordance with user needs. The WWW site, called the Electron Microscopy (EM) Outreach Program (URL: http://emoutreach.sdsc.edu), provides scientists with computational and educational tools for their research and edification. In particular, we have set up a centralized resource containing course notes, references, and links to image analysis and three-dimensional reconstruction software for investigators wanting to learn about EM techniques either within or outside of their fields of expertise. Copyright 1999 Academic Press.

Technical Communicator: A New Model for the Electronic Resources Librarian?

Science.gov (United States)

Hulseberg, Anna

2016-01-01

This article explores whether technical communicator is a useful model for electronic resources (ER) librarians. The fields of ER librarianship and technical communication (TC) originated and continue to develop in relation to evolving technologies. A review of the literature reveals four common themes for ER librarianship and TC. While the…

Adsorption and Electronic Structure of Sr and Ag Atoms on Graphite Surfaces: a First-Principles Study

Science.gov (United States)

Luo, Xiao-Feng; Fang, Chao; Li, Xin; Lai, Wen-Sheng; Sun, Li-Feng; Liang, Tong-Xiang

2013-06-01

The adsorption behaviors of radioactive strontium and silver nuclides on the graphite surface in a high-temperature gas-cooled reactor are studied by first-principles theory using generalized gradient approximation (GGA) and local density approximation (LDA) pseudo-potentials. It turns out that Sr prefers to be absorbed at the hollow of the carbon hexagonal cell by 0.54 eV (GGA), while Ag likes to sit right above the carbon atom with an adsorption energy of almost zero (GGA) and 0.45 eV (LDA). Electronic structure analysis reveals that Sr donates its partial electrons of the 4p and 5s states to the graphite substrate, while Ag on graphite is a physical adsorption without any electron transfer.

Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle

Science.gov (United States)

Albert, Julian; Hader, Kilian; Engel, Volker

2017-12-01

It is commonly assumed that the time-dependent electron flux calculated within the Born-Oppenheimer (BO) approximation vanishes. This is not necessarily true if the flux is directly determined from the continuity equation obeyed by the electron density. This finding is illustrated for a one-dimensional model of coupled electronic-nuclear dynamics. There, the BO flux is in perfect agreement with the one calculated from a solution of the time-dependent Schrödinger equation for the coupled motion. A reflection principle is derived where the nuclear BO flux is mapped onto the electronic flux.

MODEL OF AN ELECTRONIC EDUCATIONAL RESOURCE OF NEW GENERATION

Directory of Open Access Journals (Sweden)

Anatoliy V. Loban

2016-01-01

Full Text Available The mathematical structure of the modular architecture of an electronic educational resource (EER of new generation, which allows to decompose the process of studying the subjects of the course at a hierarchically ordered set of data (knowledge and procedures for manipulating them, to determine the roles of participants of process of training of and technology the development and use of EOR in the study procrate.

First Principles Study of Electronic and Magnetic Properties of Co-Doped Armchair Graphene Nanoribbons

Directory of Open Access Journals (Sweden)

Biao Li

2015-01-01

Full Text Available Using the first principles calculations, we have studied the atomic and electronic structures of single Co atom incorporated with divacancy in armchair graphene nanoribbon (AGNR. Our calculated results show that the Co atom embedded in AGNR gives rise to significant impacts on the band structures and the FM spin configuration is the ground state. The presence of the Co doping could introduce magnetic properties. The calculated results revealed the arising of spin gapless semiconductor characteristics with doping near the edge in both ferromagnetic (FM and antiferromagnetic (AFM magnetic configurations, suggesting the robustness for potential application of spintronics. Moreover, the electronic structures of the Co-doped AGNRs are strongly dependent on the doping sites and the edge configurations.

Structural and electronic properties of LaPd2As2 superconductor: First-principle calculations

Science.gov (United States)

Singh, Birender; Kumar, Pradeep

2017-05-01

In present work we have studied electronic and structural properties of superconducting LaPd2As2 compound having collapsed tetragonal structure using first-principle calculations. The band structure calculations show that the LaPd2As2 is metallic consistent with the reported experimental observation, and the density of states plots clearly shows that at the Fermi level major contribution to density of states arises from Pd 4d and As 4p states, unlike the Fe-based superconductors where major contribution at the Fermi level comes from Fe 3d states. The estimated value of electron-phonon coupling is found to be 0.37, which gives the upper bound of superconducting transition temperature of 5K, suggesting the conventional nature of this superconductor.

Interplay of oxygen octahedral rotations and electronic instabilities in strontium ruthenate Ruddlesden-Poppers from first principles

Science.gov (United States)

Voss, Johannes; Fennie, Craig J.

2011-03-01

The Ruddlesden-Popper ruthenates Sr n+1 Ru n O3 n + 1 display a broad range of electronic phases including p -wave superconductivity, electronic nematicity, and ferromagnetism. Elucidating the role of the number of perovskite blocks, n , in the realization of these differently ordered electronic states remains a challenge. Additionally dramatic experimental advances now enable the atomic scale growth of these complex oxide thin films on a variety of substrates coherently, allowing for the application of tunable epitaxial strain and subsequently the ability to control structural distortions such as oxygen octahedral rotations. Here we investigate from first principles the effect of oxygen octahedral rotations on the electronic structure of Sr 2 Ru O4 and Sr 3 Ru 2 O7 . We discuss possible implications for the physics of the bulk systems and point towards new effects in thin films.

First -principles calculations of the crystal structure, electronic structure, and thermodynamic stability of Be(BH4)2

NARCIS (Netherlands)

van Setten, Michiel J.; de Wijs, Gilles A.; Brocks, G.

2008-01-01

Alanates and boranates are intensively studied because of their potential use as hydrogen storage materials. In this paper, we present a first-principles study of the electronic structure and the energetics of beryllium boranate BeBH42. From total energy calculations, we show that—in contrast to the

Electronic Structure of Cu(tmdt2 Studied with First-Principles Calculations

Directory of Open Access Journals (Sweden)

Kiyoyuki Terakura

2012-08-01

Full Text Available We have studied the electronic structure of Cu(tmdt2, a material related to single-component molecular conductors, by first-principles calculations. The total energy calculations for several different magnetic configurations show that there is strong antiferromagnetic (AFM exchange coupling along the crystal a-axis. The electronic structures are analyzed in terms of the molecular orbitals near the Fermi level of isolated Cu(tmdt2 molecule. This analysis reveals that the system is characterized by the half-filled pdσ(− band whose intermolecular hopping integrals have strong one-dimensionality along the crystal a-axis. As the exchange splitting of the band is larger than the band width, the basic mechanism of the AFM exchange coupling is the superexchange. It will also be shown that two more ligand orbitals which are fairly insensitive to magnetism are located near the Fermi level. Because of the presence of these orbitals, the present calculation predicts that Cu(tmdt2 is metallic even in its AFM state, being inconsistent with the available experiment. Some comments will be made on the difference between Cu(tmdt2 and Cu(dmdt2.

Elasticity, electronic properties and hardness of MoC investigated by first principles calculations

International Nuclear Information System (INIS)

Liu, YangZhen; Jiang, YeHua; Feng, Jing; Zhou, Rong

2013-01-01

The crystal structure, cohesive energy, formation enthalpy, mechanical anisotropy, electronic properties and hardness of α−MoC, β−MoC and γ−MoC are investigated by the first-principles calculations. The elastic constants and the bulk moduli, shear moduli, Young's moduli are calculated. The Young's modulus values of α−MoC, β−MoC and γ−MoC are 395.6 GPa, 551.2 GPa and 399.5 GPa, respectively. The surface constructions of Young's moduli identify the mechanical anisotropy of molybdenum carbide, and the results show that anisotropy of α−MoC is stronger than others. The electronic structure indicates that the bonding behaviors of MoC are the combinations of covalent and metallic bonds. The hardness of β−MoC is obviously higher than those of α−MoC and γ−MoC

Electronic structure and lattice dynamics of CaPd3B studied by first-principles methods

International Nuclear Information System (INIS)

Music, Denis; Ahuja, Rajeev; Schneider, Jochen M.

2006-01-01

Using first-principles methods, we have studied the electronic structure and lattice dynamics of CaPd 3 B and compared them to isostructural MgNi 3 C. CaPd 3 B possesses less electronic states at the Fermi level, but more phonon modes at low frequencies, than MgNi 3 C. According to the phonon density of states, low frequency acoustic modes are dominated by Pd states, corresponding to Ni in MgNi 3 C. Furthermore, these Pd modes show soft phonons, which may be significant for second-order phase transitions. Based on the comparison to MgNi 3 C, we suggest that the properties of these two compounds may be similar

Ultraviolet and soft X-ray free-electron lasers introduction to physical principles, experimental results, technological challenges

CERN Document Server

Schmüser, Peter; Rossbach, Jörg; Fujimori, A; Kühn, J; Müller, T; Steiner, F; Trümper, J; Varma, C; Wölfle, P

2008-01-01

In the introduction accelerator-based light sources are considered and a comparison is made between free-electron lasers and conventional quantum lasers. The motion and radiation of relativistic electrons in undulator magnets is discussed. The principle of a low-gain free-electron laser is explained and the pendulum equations are introduced that characterize the electron dynamics in the field of a light wave. The differential equations of the high-gain FEL are derived from the Maxwell equations of electrodynamics. Analytical and numerical solutions of the FEL equations are presented and important FEL parameters are defined, such as gain length, FEL bandwidth and saturation power. A detailed numerical study of the all-important microbunching process is presented. The mechanism of Self Amplified Spontaneous Emission is described theoretically and illustrated with numerous experimental results. Three-dimensional effects such as betatron oscillations and optical diffraction are addressed and their impact on the F...

Electronic and magnetic properties of nonmetal atoms doped blue phosphorene: First-principles study

Energy Technology Data Exchange (ETDEWEB)

Zheng, Huiling; Yang, Hui [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Wang, Hongxia [College of Mathematics, Physics and Information Science, Zhejiang Ocean University, Zhoushan 316000 (China); Du, Xiaobo [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China); Yan, Yu, E-mail: yanyu@jlu.edu.cn [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Department of Physics, Jilin University, Changchun 130012 (China)

2016-06-15

Using first-principles calculations, we study the geometrical structure, electronic structure and magnetic properties of substitutionally doped blue phosphorene with a series of nonmetallic atoms, including F, Cl, B, N, C, Si and O. The calculated formation energies and molecular dynamics simulations indicate that F, Cl, B, N, C, Si and O doped blue phosphorene are stable. Moreover, the substitutional doping of F, Cl, B and N cannot induce the magnetism in blue phosphorene due to the saturation or pairing of the valence electron of dopant and its neighboring P atoms. In contrast, ground states of C, Si and O doped blue phosphorene are spin-polarized and the magnetic moments induced by a doping atom are all 1.0 μ{sub B}, which is attributed to the appearance of an unpaired valence electron of C and Si and the formation of a nonbonding 3p electron of a neighboring P atom around O. Furthermore, the magnetic coupling between the moments induced by two C, Si and O are found to be long-range anti-ferromagnetic and the origin of the coupling can be attributed to the p–p hybridization interaction involving polarized electrons. - Highlights: • F, Cl, B, N, C, Si and O doped blue phosphorene are stable. • Substitutional doping of C, Si and O can produce the magnetism in blue phosphorene. • Magnetic coupling between two C, Si and O is long-range anti-ferromagnetic.

18 CFR 725.6 - Principles, standards and procedures.

Science.gov (United States)

2010-04-01

... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Principles, standards... Responsibilities § 725.6 Principles, standards and procedures. The Principles, Standards and Procedures established... Orders. These Principles, Standards and Procedures are found in 18 CFR parts 710 through 717. ...

Magnetic and electronic properties of single-walled Mo2C nanotube: a first-principles study

Science.gov (United States)

Jalil, Abdul; Sun, Zhongti; Wang, Dayong; Wu, Xiaojun

2018-04-01

The structural, electronic, and magnetic properties of single-walled Mo2C nanotubes are investigated by using first-principles calculations. We establish that single-walled Mo2C nanotubes can be rolled up from a graphene-like Mo2C monolayer with H- or T-type phase, i.e. H-Mo2C and T-Mo2C nanotubes. The armchair-type T-Mo2C nanotubes are more energetically stable than H-Mo2C nanotubes with the same diameter, while zigzag-type H-Mo2C nanotubes are more energetically stable than T-Mo2C nanotubes. In particular, (8, 0) H-Mo2C nanotube are more stable than Mo2C monolayer due to structural deformation. All Mo2C nanotubes are magnetic metals, independent of their chirality, and the magnetic moments of Mo atoms in the outer layer are larger than the inner. The ionic and metallic bonds in Mo2C nanotubes and delocalized electrons around Mo atoms lead to the versatile electronic and magnetic properties in them, endowing them potential applications in catalysts and electronics.

GUIDELINES FOR EVALUATION OF PSYCHOLOGICAL AND PEDAGOGICAL QUALITY CHARACTERISTICS OF ELECTRONIC EDUCATIONAL RESOURCES

Directory of Open Access Journals (Sweden)

Galina P. Lavrentieva

2014-05-01

Full Text Available The article highlights the causes of insufficient effective use of electronic learning resources and sets out the guidelines on ways to solve the aforementioned problems. The set of didactic, methodical, psychological, pedagogical, design and ergonomic quality requirements is considered for evaluation, selection and application of information and communication technologies in the educational process. The most appropriate mechanisms for the ICT introduction into the learning process are disclosed as it should meet the specific learning needs of the student and the objectives of the educational process. The guidance for psycho-educational assessment of quality of electronic educational resources is provided. It is argued that the effectiveness of the ICT use is to be improved by means of quality evaluation mechanisms involved into the educational process.

Dynamical instability, strong anharmonicity and electron-phonon coupling in KOs2O6: First-principles calculations

Science.gov (United States)

Wang, Wei; Sun, Jiafa; Li, Bin; He, Junqi

2017-09-01

First-principles pseudopotential calculations on phonon and electronic properties of β -pyrochlore superconductor KOs2O6 are performed. The imaginary soft-phonon modes with a special double-well potential for the lowest Eu(1) mode and the second lowest T1u(1) mode are reported, which indicates the dynamical instability in KOs2O6. However, the double wells are too small to induce a structural phase transformation in KOs2O6. The strong anharmonicity especially for K T2g(1) phonon mode is got, which is approved to be from the strong electron-phonon coupling that supports the superconductivity in KOs2O6.

Availability, Use and Constraints to Use of Electronic Information Resources by Postgraduates Students at the University of Ibadan

Directory of Open Access Journals (Sweden)

Dare Samuel Adeleke

2017-12-01

Full Text Available Availability, awareness and use of electronic resources provide access to authoritative, reliable, accurate and timely access to information. The use of electronic information resources (EIRs can enable innovation in teaching and increase timeliness in research of postgraduate students which will eventual result into encouragement of the expected research-led enquiry in this digital age. The study adopted a descriptive survey design. Samples of 300 of postgraduate students within seven out 13 Faculties were randomly selected. Data were collected using questionnaire designed to elicit response from respondents and data were analyzed using descriptive statistics methods percentages, mean, and standard deviation. Results indicated that internet was ranked most available and used in the university. Low level of usage of electronic resources, in particular, full texts data bases is linked to a number of constraints: Interrupted power supply was ranked highest among other factors as speed and capacity of computers, retrieval of records with high recall and low precision, retrieving records relevant to information need, lack of knowledge of search techniques to retrieve information effectively, non possession of requisite IT skills and problems accessing the internet. The study recommended that usage of electronic resources be made compulsory, intensifying awareness campaigns concerning the availability, training on use of electronic resources and the problem of power outage be addressed.

First-principles study of electronic properties of FeSe{sub 1-x}S{sub x} alloys

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sandeep, E-mail: sandeep@phy.iitb.ac.in; Singh, Prabhakar P. [Department of Physics, Indian Institute of Technology-Bombay, Mumbai-400076 (India)

2016-05-06

We have studied the electronic and superconducting properties of FeSe{sub 1-x}S{sub x} (x = 0.0, 0.04) alloys by first-principles calculations using the Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). The electronic structure calculations show the ground states of S-doped FeSe to be nonmagnetic. We present the results of our unpolarized calculations for these alloys in terms of density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe and FeSe{sub 0.96}S{sub 0.04} alloys. We find that the substitution of S at Se site into FeSe exhibit the subtle changes in the electronic structure with respect to the parent FeSe. We have also estimated bare Sommerfeld constant (γ{sub b}), electron-phonon coupling constant (λ) and the superconducting transition temperature (T{sub c}) for these alloys, which were found to be in good agreement with experiments.

First-principles calculation on electronic properties of zinc oxide by zinc–air system

Directory of Open Access Journals (Sweden)

Ahmad Azmin Mohamad

2017-07-01

Full Text Available First-principles calculations are performed to study the electronic properties of zinc oxide (ZnO formed on an anode after discharging a Zn–air system. Prior to calculation, the ZnO is characterised by X-ray diffraction using Rietveld refinement. Diffracted patterns proved the formation of single phase ZnO, while Rietveld analysis shows that the ZnO has a hexagonal wurtzite structure with lattice parameters, a = 3.244 and c = 5.199 Å. Geometry optimisation of the hexagonal wurtzite structure of the ZnO is performed using various exchange–correlation energy functionals. The local density approximation functional method is used to explain the structure, electronic band structure and density of state properties of hexagonal ZnO. The calculated energy band gap was 0.75 eV while the density of states reveals that the O 2p (the top valence band and Zn 4s (the bottom conduction band states domination.

First-principles calculations of BC{sub 4}N nanostructures: stability and electronic structure

Energy Technology Data Exchange (ETDEWEB)

Freitas, A.; Azevedo, S. [Universidade Federal da Paraiba, CCEN, Departamento de Fisica, Joao Pessoa, PB (Brazil); Machado, M. [Universidade Federal de Pelotas, Departamento de Fisica, Pelotas, RS (Brazil); Kaschny, J.R. [Instituto Federal da Bahia-Campus Vitoria da Conquista, Vitoria da Conquista, BA (Brazil)

2012-07-15

In this work, we apply first-principles methods to investigate the stability and electronic structure of BC{sub 4}N nanostructures which were constructed from hexagonal graphite layers where substitutional nitrogen and boron atoms are placed at specific sites. These layers were rolled up to form zigzag and armchair nanotubes, with diameters varying from 7 to 12 A, or cut and bent to form nanocones, with 60 and 120 disclination angles. The calculation results indicate that the most stable structures are the ones which maximize the number of B-N and C-C bonds. It is found that the zigzag nanotubes are more stable than the armchair ones, where the strain energy decreases with increasing tube diameter D, following a 1/D {sup 2} law. The results show that the 60 disclination nanocones are the most stable ones. Additionally, the calculated electronic properties indicate a semiconducting behavior for all calculated structures, which is intermediate to the typical behaviors found for hexagonal boron nitride and graphene. (orig.)

A Study on Developing Evaluation Criteria for Electronic Resources in Evaluation Indicators of Libraries

Science.gov (United States)

Noh, Younghee

2010-01-01

This study aimed to improve the current state of electronic resource evaluation in libraries. While the use of Web DB, e-book, e-journal, and other e-resources such as CD-ROM, DVD, and micro materials is increasing in libraries, their use is not comprehensively factored into the general evaluation of libraries and may diminish the reliability of…

Electronic and Optical Properties of Two-Dimensional GaN from First-Principles.

Science.gov (United States)

Sanders, Nocona; Bayerl, Dylan; Shi, Guangsha; Mengle, Kelsey A; Kioupakis, Emmanouil

2017-12-13

Gallium nitride (GaN) is an important commercial semiconductor for solid-state lighting applications. Atomically thin GaN, a recently synthesized two-dimensional material, is of particular interest because the extreme quantum confinement enables additional control of its light-emitting properties. We performed first-principles calculations based on density functional and many-body perturbation theory to investigate the electronic, optical, and excitonic properties of monolayer and bilayer two-dimensional (2D) GaN as a function of strain. Our results demonstrate that light emission from monolayer 2D GaN is blueshifted into the deep ultraviolet range, which is promising for sterilization and water-purification applications. Light emission from bilayer 2D GaN occurs at a similar wavelength to its bulk counterpart due to the cancellation of the effect of quantum confinement on the optical gap by the quantum-confined Stark shift. Polarized light emission at room temperature is possible via uniaxial in-plane strain, which is desirable for energy-efficient display applications. We compare the electronic and optical properties of freestanding two-dimensional GaN to atomically thin GaN wells embedded within AlN barriers in order to understand how the functional properties are influenced by the presence of barriers. Our results provide microscopic understanding of the electronic and optical characteristics of GaN at the few-layer regime.

The structural, electronic and phonon behavior of CsPbI_3: A first principles study

International Nuclear Information System (INIS)

Bano, Amreen; Khare, Preeti; Parey, Vanshree; Shukla, Aarti; Gaur, N. K.

2016-01-01

Metal halide perovskites are optoelectronic materials that have attracted enormous attention as solar cells with power conversion efficiencies reaching 20%. The benefit of using hybrid compounds resides in their ability to combine the advantage of these two classes of compounds: the high mobility of inorganic materials and the ease of processing of organic materials. In spite of the growing attention of this new material, very little is known about the electronic and phonon properties of the inorganic part of this compounds. A theoretical study of structural, electronic and phonon properties of metal-halide cubic perovskite, CsPbI_3 is presented, using first-principles calculations with planewave pseudopotential method as personified in PWSCF code. In this approach local density approximation (LDA) is used for exchange-correlation potential.

Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations

Energy Technology Data Exchange (ETDEWEB)

Watanabe, Shinta, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp; Sawada, Yuki; Nakaya, Masato; Yoshino, Masahito; Nagasaki, Takanori; Onoe, Jun, E-mail: s-watanabe@nucl.nagoya-u.ac.jp, E-mail: j-onoe@nucl.nagoya-u.ac.jp [Department of Materials, Physics and Energy Engineering, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Kameyama, Tatsuya; Torimoto, Tsukasa [Department of Crystalline Materials Science, Graduated School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya, Aichi 464-8603 (Japan); Inaba, Yusuke; Takahashi, Hideharu; Takeshita, Kenji [Research Laboratory for Nuclear Reactors, Tokyo Institute of Technology, 2-12-1-N1-16 O-okayama, Meguro-ku, Tokyo 152-8550 (Japan)

2016-06-21

We have investigated the electronic structures and optical properties of Fe, Co, and Ni ferrocyanide nanoparticles using first-principles relativistic many-electron calculations. The overall features of the theoretical absorption spectra for Fe, Ni, and Co ferrocyanides calculated using a first-principles many-electron method well reproduced the experimental one. The origins of the experimental absorption spectra were clarified by performing a configuration analysis based on the many-electron wave functions. For Fe ferrocyanide, the experimental absorption peaks originated from not only the charge-transfer transitions from Fe{sup 2+} to Fe{sup 3+} but also the 3d-3d intra-transitions of Fe{sup 3+} ions. In addition, the spin crossover transition of Fe{sup 3+} predicted by the many-electron calculations was about 0.24 eV. For Co ferrocyanide, the experimental absorption peaks were mainly attributed to the 3d-3d intra-transitions of Fe{sup 2+} ions. In contrast to the Fe and Co ferrocyanides, Ni ferrocyanide showed that the absorption peaks originated from the 3d-3d intra-transitions of Ni{sup 3+} ions in a low-energy region, while from both the 3d-3d intra-transitions of Fe{sup 2+} ions and the charge-transfer transitions from Fe{sup 2+} to Ni{sup 3+} in a high-energy region. These results were quite different from those of density-functional theory (DFT) calculations. The discrepancy between the results of DFT calculations and those of many-electron calculations suggested that the intra- and inter-atomic transitions of transition metal ions are significantly affected by the many-body effects of strongly correlated 3d electrons.

First-principles electronic structure of Mn-doped GaAs, GaP, and GaN semiconductors

Energy Technology Data Exchange (ETDEWEB)

Schulthess, T C [Computer Science and Mathematics Division and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6164 (United States); Temmerman, W M [Daresbury Laboratory, Daresbury, Warrington WA4 4AD (United Kingdom); Szotek, Z [Daresbury Laboratory, Daresbury, Warrington WA4 4AD (United Kingdom); Svane, A [Department of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Petit, L [Computer Science and Mathematics Division and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6164 (United States)

2007-04-23

We present first-principles electronic structure calculations of Mn-doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction corrected local spin-density method (SIC-LSD). We find that it is crucial to use a self-interaction free approach to properly describe the electronic ground state. The SIC-LSD calculations predict the proper electronic ground state configuration for Mn in GaAs, GaP, and GaN. Excellent quantitative agreement with experiment is found for the magnetic moment and p-d exchange in (GaMn)As. These results allow us to validate commonly used models for magnetic semiconductors. Furthermore, we discuss the delicate problem of extracting binding energies of localized levels from density functional theory calculations. We propose three approaches to take into account final state effects to estimate the binding energies of the Mn d levels in GaAs. We find good agreement between computed values and estimates from photoemission experiments.

First-principles electronic structure of Mn-doped GaAs, GaP, and GaN semiconductors

International Nuclear Information System (INIS)

Schulthess, T C; Temmerman, W M; Szotek, Z; Svane, A; Petit, L

2007-01-01

We present first-principles electronic structure calculations of Mn-doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction corrected local spin-density method (SIC-LSD). We find that it is crucial to use a self-interaction free approach to properly describe the electronic ground state. The SIC-LSD calculations predict the proper electronic ground state configuration for Mn in GaAs, GaP, and GaN. Excellent quantitative agreement with experiment is found for the magnetic moment and p-d exchange in (GaMn)As. These results allow us to validate commonly used models for magnetic semiconductors. Furthermore, we discuss the delicate problem of extracting binding energies of localized levels from density functional theory calculations. We propose three approaches to take into account final state effects to estimate the binding energies of the Mn d levels in GaAs. We find good agreement between computed values and estimates from photoemission experiments

The electronic structures and ferromagnetism of Fe-doped GaSb: The first-principle calculation study

Science.gov (United States)

Lin, Xue-ling; Niu, Cao-ping; Pan, Feng-chun; Chen, Huan-ming; Wang, Xu-ming

2017-09-01

The electronic structures and the magnetic properties of Fe doped GaSb have been investigated by the first-principles calculation based on the framework of the generalized gradient approximation (GGA) and GGA+U schemes. The calculated results indicated that Fe atoms tend to form the anti-ferromagnetic (AFM) coupling with the nearest-neighbor positions preferentially. Compared with the anti-ferromagnetic coupling, the ferromagnetic interactions occurred at the second nearest-neighbor and third nearest-neighbor sites have a bigger superiority energetically. The effect of strong electron correlation at Fe-d orbit taking on the magnetic properties predicted by GGA+U approach demonstrated that the ferromagnetic (FM) coupling between the Fe ions is even stronger in consideration of the strong electron correlation effect. The ferromagnetism in Fe doped GaSb system predicted by our investigation implied that the doping of Fe into GaSb can be as a vital routine for manufacturing the FM semiconductors with higher Curie temperature.

First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

Energy Technology Data Exchange (ETDEWEB)

Zhao, P., E-mail: ss_zhaop@ujn.edu.c [School of Science, University of Jinan, Jinan 250022 (China); Liu, D.S. [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Department of Physics, Jining University, Qufu 273155 (China); Wang, P.J.; Zhang, Z. [School of Science, University of Jinan, Jinan 250022 (China); Fang, C.F.; Ji, G.M. [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China)

2011-02-15

By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinone-based molecular switch. The molecule that comprises the switch can be converted between the hydroquinone (HQ) and anthraquinone (AQ) forms via redox reactions. The transmission spectra of these two forms are remarkably distinctive. Our results show that the current through the HQ form is significantly larger than that through the AQ form, which suggests that this system has attractive potential application in future molecular switch technology.

First-principles study of the electronic transport properties of the anthraquinone-based molecular switch

International Nuclear Information System (INIS)

Zhao, P.; Liu, D.S.; Wang, P.J.; Zhang, Z.; Fang, C.F.; Ji, G.M.

2011-01-01

By applying non-equilibrium Green's function (NEGF) formalism combined with first-principles density functional theory (DFT), we have investigated the electronic transport properties of the anthraquinone-based molecular switch. The molecule that comprises the switch can be converted between the hydroquinone (HQ) and anthraquinone (AQ) forms via redox reactions. The transmission spectra of these two forms are remarkably distinctive. Our results show that the current through the HQ form is significantly larger than that through the AQ form, which suggests that this system has attractive potential application in future molecular switch technology.

The electronic Rothamsted Archive (e-RA), an online resource for data from the Rothamsted long-term experiments.

Science.gov (United States)

Perryman, Sarah A M; Castells-Brooke, Nathalie I D; Glendining, Margaret J; Goulding, Keith W T; Hawkesford, Malcolm J; Macdonald, Andy J; Ostler, Richard J; Poulton, Paul R; Rawlings, Christopher J; Scott, Tony; Verrier, Paul J

2018-05-15

The electronic Rothamsted Archive, e-RA (www.era.rothamsted.ac.uk) provides a permanent managed database to both securely store and disseminate data from Rothamsted Research's long-term field experiments (since 1843) and meteorological stations (since 1853). Both historical and contemporary data are made available via this online database which provides the scientific community with access to a unique continuous record of agricultural experiments and weather measured since the mid-19 th century. Qualitative information, such as treatment and management practices, plans and soil information, accompanies the data and are made available on the e-RA website. e-RA was released externally to the wider scientific community in 2013 and this paper describes its development, content, curation and the access process for data users. Case studies illustrate the diverse applications of the data, including its original intended purposes and recent unforeseen applications. Usage monitoring demonstrates the data are of increasing interest. Future developments, including adopting FAIR data principles, are proposed as the resource is increasingly recognised as a unique archive of data relevant to sustainable agriculture, agroecology and the environment.

Principles of classification of NIS reserves ampersand resources

International Nuclear Information System (INIS)

Anon.

1993-01-01

The newly independent states of the former Soviet Union (NIS) control large resources of uranium. These resources have been the subject of substantial debate within several forums of the Western uranium industry because of confusion surrounding the degree of correlation between the Soviet and various Western classification systems. As illustrated in this article, although developed independently of Western systems, the classification system used by the NIS is very definitive and provides a sound basis for resource reporting. In 1981 a new open-quotes System of Classification of Reserves and Resources of Mineral Depositsclose quotes was adopted. This classification system, which is still used today in the newly independent states of the former Soviet Union (NIS), subdivides mineral deposits into seven categories in three major groups, based on the level of exploration performed: (1) Explored Reserves (A, B, C 1 ); (2) Evaluated Reserves (C 2 ); and (3) Predicted Resources (P 1 , P 2 , P 3 )

THE MODEL OF LINGUISTIC TEACHERS’ COMPETENCY DEVELOPMENT ON DESIGNING MULTIMEDIA ELECTRONIC EDUCATIONAL RESOURCES IN THE MOODLE SYSTEM

OpenAIRE

Anton M. Avramchuk

2017-01-01

The article is devoted to the problem of developing the competency of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system. The concept of "the competence of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system" is justified and defined. Identified and characterized the components by which the levels of the competency development of teachers of language disciplines on designing ...

Determining the level of awareness of the physicians in using the variety of electronic information resources and the effecting factors.

Science.gov (United States)

Papi, Ahmad; Ghazavi, Roghayeh; Moradi, Salimeh

2015-01-01

Understanding of the medical society's from the types of information resources for quick and easy access to information is an imperative task in medical researches and management of the treatment. The present study was aimed to determine the level of awareness of the physicians in using various electronic information resources and the factors affecting it. This study was a descriptive survey. The data collection tool was a researcher-made questionnaire. The study population included all the physicians and specialty physicians of the teaching hospitals affiliated to Isfahan University of Medical Sciences and numbered 350. The sample size based on Morgan's formula was set at 180. The content validity of the tool was confirmed by the library and information professionals and the reliability was 95%. Descriptive statistics were used including the SPSS software version 19. On reviewing the need of the physicians to obtain the information on several occasions, the need for information in conducting the researches was reported by the maximum number of physicians (91.9%) and the usage of information resources, especially the electronic resources, formed 65.4% as the highest rate with regard to meeting the information needs of the physicians. Among the electronic information databases, the maximum awareness was related to Medline with 86.5%. Among the various electronic information resources, the highest awareness (43.3%) was related to the E-journals. The highest usage (36%) was also from the same source. The studied physicians considered the most effective deterrent in the use of electronic information resources as being too busy and lack of time. Despite the importance of electronic information resources for the physician's community, there was no comprehensive knowledge of these resources. This can lead to less usage of these resources. Therefore, careful planning is necessary in the hospital libraries in order to introduce the facilities and full capabilities of the

14 CFR 1274.919 - Cost principles and accounting standards.

Science.gov (United States)

2010-01-01

... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Cost principles and accounting standards... principles and accounting standards. Cost Principles and Accounting Standards July 2002 The expenditure of... Recipient (See clause entitled “Resource Sharing Requirements”) shall be governed by the FAR cost principles...

Managing Selection for Electronic Resources: Kent State University Develops a New System to Automate Selection

Science.gov (United States)

Downey, Kay

2012-01-01

Kent State University has developed a centralized system that manages the communication and work related to the review and selection of commercially available electronic resources. It is an automated system that tracks the review process, provides selectors with price and trial information, and compiles reviewers' feedback about the resource. It…

Local electronic structure at organic–metal interface studied by UPS, MAES, and first-principles calculation

Energy Technology Data Exchange (ETDEWEB)

Aoki, M., E-mail: cmaoki@mail.ecc.u-tokyo.ac.jp; Masuda, S.

2015-10-01

Understanding and controlling local electronic structures at organic–metal interfaces are crucial for fabricating novel organic-based electronics, as in the case of heterojunctions in semiconductor devices. Here, we report recent studies of valence electronic states at organic–metal interfaces (especially those near the Fermi level of a metal substrate) by the combined analysis of ultraviolet photoemission spectroscopy (UPS), metastable atom electron spectroscopy (MAES), and first-principles calculations. New electronic states in the HOMO (highest occupied molecular orbital)–LUMO (lowest unoccupied molecular orbital) gap formed at an organic–metal interface are classified as a chemisorption-induced gap state (CIGS) and a complex-based gap state (CBGS). The CIGS is further characterized by an asymptotic feature of the metal wave function in the chemisorbed species. The CIGSs in alkanethiolates on Pt(1 1 1) and C{sub 60} on Pt(1 1 1) can be regarded as damping and propagating types, respectively. The CBGSs in K-doped dibenzopentacene (DBP) are composed of DBP-derived MOs and K sp states and distributed over the complex film. No metallic structures were found in the K{sub 1}DBP and K{sub 3}DBP phases, suggesting that they are Mott–Hubbard insulators due to strong electron correlation. The local electronic structures of a pentacene film bridged by Au electrodes under bias voltages were examined by an FET-like specimen. The pentacene-derived bands were steeply shifted at the positively biased electrode, reflecting the p-type character of the film.

Unified first principles description from warm dense matter to ideal ionized gas plasma: electron-ion collisions induced friction.

Science.gov (United States)

Dai, Jiayu; Hou, Yong; Yuan, Jianmin

2010-06-18

Electron-ion interactions are central to numerous phenomena in the warm dense matter (WDM) regime and at higher temperature. The electron-ion collisions induced friction at high temperature is introduced in the procedure of ab initio molecular dynamics using the Langevin equation based on density functional theory. In this framework, as a test for Fe and H up to 1000 eV, the equation of state and the transition of electronic structures of the materials with very wide density and temperature can be described, which covers a full range of WDM up to high energy density physics. A unified first principles description from condensed matter to ideal ionized gas plasma is constructed.

End-of-life resource recovery from emerging electronic products

DEFF Research Database (Denmark)

Parajuly, Keshav; Habib, Komal; Cimpan, Ciprian

2016-01-01

Integrating product design with appropriate end-of-life (EoL) processing is widely recognized to have huge potentials in improving resource recovery from electronic products. In this study, we investigate both the product characteristics and EoL processing of robotic vacuum cleaner (RVC), as a case...... of emerging electronic product, in order to understand the recovery fate of different materials and its linkage to product design. Ten different brands of RVC were dismantled and their material composition and design profiles were studied. Another 125 RVCs (349 kg) were used for an experimental trial...... at a conventional ‘shred-and-separate’ type preprocessing plant in Denmark. A detailed material flow analysis was performed throughout the recycling chain. The results show a mismatch between product design and EoL processing, and the lack of practical implementation of ‘Design for EoL’ thinking. In the best...

Elastic, electronic properties and intra-atomic bonding in orthorhombic and tetragonal polymorphs of BaZn2As2 from first-principles calculations

International Nuclear Information System (INIS)

Shein, I.R.; Ivanovskii, A.L.

2014-01-01

Highlights: • α and β polymorphs of BaZn 2 As 2 as a parent phase of the new DMSs are examined. • Structural, elastic, electronic properties are evaluated from first principles. • Inter-atomic bonding picture is discussed. -- Abstract: Very recently, on the example of hole- and spin-doped BaZn 2 As 2 , quite an unexpected area of potential applications of 122-like phases was proposed as a promising platform for searching the new diluted magnetic semiconductors (DMSs) (2013; K. Zhao, et al, Nature Commun. 4:1442). Herein, by means of the first-principles calculations, we have examined in detail the basic structural, elastic, electronic properties and the peculiarities of the inter-atomic bonding in α and β polymorphs of 122-like BaZn 2 As 2 – a parent phase of the new DMSs. Our characterization of these materials covers the optimized structural parameters, the main elastic parameters (elastic constants, bulk, shear, and Young’s moduli, Poisson’s ratio, anisotropy indexes, and Pugh’s criterion), as well as electronic bands and densities of electronic states

Use of electronic sales data to tailor nutrition education resources for an ethnically diverse population.

Science.gov (United States)

Eyles, H; Rodgers, A; Ni Mhurchu, C

2010-02-01

Nutrition education may be most effective when personally tailored. Individualised electronic supermarket sales data offer opportunities to tailor nutrition education using shopper's usual food purchases. The present study aimed to use individualised electronic supermarket sales data to tailor nutrition resources for an ethnically diverse population in a large supermarket intervention trial in New Zealand. Culturally appropriate nutrition education resources (i.e. messages and shopping lists) were developed with the target population (through two sets of focus groups) and ethnic researchers. A nutrient database of supermarket products was developed using retrospective sales data and linked to participant sales to allow tailoring by usual food purchases. Modified Heart Foundation Tick criteria were used to identify 'healthier' products in the database suitable for promotion in the resources. Rules were developed to create a monthly report listing the tailored and culturally targeted messages to be sent to each participant, and to produce automated, tailored shopping lists. Culturally targeted nutrition messages (n = 864) and shopping lists (n = 3 formats) were developed. The food and nutrient database (n = 3000 top-selling products) was created using 12 months of retrospective sales data, and comprised 60%'healthier' products. Three months of baseline sales data were used to determine usual food purchases. Tailored resources were successfully mailed to 123 Māori, 52 Pacific and 346 non-Māori non-Pacific participants over the 6-month trial intervention period. Electronic supermarket sales data can be used to tailor nutrition education resources for a large number of ethnically diverse supermarket shoppers.

Availability, Level of Use and Constraints to Use of Electronic Resources by Law Lecturers in Public Universities in Nigeria

Science.gov (United States)

Amusa, Oyintola Isiaka; Atinmo, Morayo

2016-01-01

(Purpose) This study surveyed the level of availability, use and constraints to use of electronic resources among law lecturers in Nigeria. (Methodology) Five hundred and fifty-two law lecturers were surveyed and four hundred and forty-two responded. (Results) Data analysis revealed that the level of availability of electronic resources for the…

First-principles studies of electronic, transport and bulk properties of pyrite FeS2

Directory of Open Access Journals (Sweden)

Dipendra Banjara

2018-02-01

Full Text Available We present results from first principle, local density approximation (LDA calculations of electronic, transport, and bulk properties of iron pyrite (FeS2. Our non-relativistic computations employed the Ceperley and Alder LDA potential and the linear combination of atomic orbitals (LCAO formalism. The implementation of the LCAO formalism followed the Bagayoko, Zhao, and Williams (BZW method, as enhanced by Ekuma and Franklin (BZW-EF. We discuss the electronic energy bands, total and partial densities of states, electron effective masses, and the bulk modulus. Our calculated indirect band gap of 0.959 eV (0.96, using an experimental lattice constant of 5.4166 Å, at room temperature, is in agreement with the measured indirect values, for bulk samples, ranging from 0.84 eV to 1.03 ± 0.05 eV. Our calculated bulk modulus of 147 GPa is practically in agreement with the experimental value of 145 GPa. The calculated, partial densities of states reproduced the splitting of the Fe d bands to constitute the dominant upper most valence and lower most conduction bands, separated by the generally accepted, indirect, experimental band gap of 0.95 eV.

A systematic review of portable electronic technology for health education in resource-limited settings.

Science.gov (United States)

McHenry, Megan S; Fischer, Lydia J; Chun, Yeona; Vreeman, Rachel C

2017-08-01

The objective of this study is to conduct a systematic review of the literature of how portable electronic technologies with offline functionality are perceived and used to provide health education in resource-limited settings. Three reviewers evaluated articles and performed a bibliography search to identify studies describing health education delivered by portable electronic device with offline functionality in low- or middle-income countries. Data extracted included: study population; study design and type of analysis; type of technology used; method of use; setting of technology use; impact on caregivers, patients, or overall health outcomes; and reported limitations. Searches yielded 5514 unique titles. Out of 75 critically reviewed full-text articles, 10 met inclusion criteria. Study locations included Botswana, Peru, Kenya, Thailand, Nigeria, India, Ghana, and Tanzania. Topics addressed included: development of healthcare worker training modules, clinical decision support tools, patient education tools, perceptions and usability of portable electronic technology, and comparisons of technologies and/or mobile applications. Studies primarily looked at the assessment of developed educational modules on trainee health knowledge, perceptions and usability of technology, and comparisons of technologies. Overall, studies reported positive results for portable electronic device-based health education, frequently reporting increased provider/patient knowledge, improved patient outcomes in both quality of care and management, increased provider comfort level with technology, and an environment characterized by increased levels of technology-based, informal learning situations. Negative assessments included high investment costs, lack of technical support, and fear of device theft. While the research is limited, portable electronic educational resources present promising avenues to increase access to effective health education in resource-limited settings, contingent

18 CFR 358.2 - General principles.

Science.gov (United States)

2010-04-01

... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false General principles. 358... principles. (a) As more fully described and implemented in subsequent sections of this part, a transmission... independently from its marketing function employees, except as permitted in this part or otherwise permitted by...

Structural, electronic and elastic properties of potassium hexatitanate crystal from first-principles calculations

International Nuclear Information System (INIS)

Hua Manyu; Li Yimin; Long Chunguang; Li Xia

2012-01-01

The structural, electronic and elastic properties of potassium hexatitanate (K 2 Ti 6 O 13 ) whisker were investigated using first-principles calculations. The calculated cell parameters of K 2 Ti 6 O 13 including lattice constants and atomic positions are in good agreement with the experimental data. The obtained formation enthalpy (-61.1535 eV/atom) and cohesive energy (-137.4502 eV/atom) are both negative, showing its high structural stability. Further analysis of the electronic structures shows that the potassium hexatitanate is a wide-band semiconductor. Within K 2 Ti 6 O 13 crystal, the Ti---O bonding interactions are stronger than that of K---O, while no apparent K---Ti bonding interactions can be observed. The structural stability of K 2 Ti 6 O 13 was closely associated with the covalent bond interactions between Ti (d) and O (p) orbits. Further calculations on elastic properties show that K 2 Ti 6 O 13 is a high stiffness and brittle material with small anisotropy in shear and compression.

Optimal utilization of energy resources

Energy Technology Data Exchange (ETDEWEB)

Hudson, E. A.

1977-10-15

General principles that should guide the extraction of New Zealand's energy resources are presented. These principles are based on the objective of promoting the general economic and social benefit obtained from the use of the extracted fuel. For a single resource, the central question to be answered is, simply, what quantity of energy should be extracted in each year of the resource's lifetime. For the energy system as a whole the additional question must be answered of what mix of fuels should be used in any year. The analysis of optimal management of a single energy resource is specifically discussed. The general principles for optimal resource extraction are derived, and then applied to the examination of the characteristics of the optimal time paths of energy quantity and price; to the appraisal of the efficiency, in resource management, of various market structures; to the evaluation of various energy pricing policies; and to the examination of circumstances in which market organization is inefficient and the guidelines for corrective government policy in such cases.

Optimal utilization of energy resources

Energy Technology Data Exchange (ETDEWEB)

Hudson, E.A.

1977-10-15

General principles that should guide the extraction of New Zealand's energy resources are presented. These principles are based on the objective of promoting the general economic and social benefit obtained from the use of the extracted fuel. For a single resource, the central question to be answered is, simply, what quantity of energy should be extracted in each year of the resource's lifetime. For the energy system as a whole the additional question must be answered of what mix of fuels should be used in any year. The analysis of optimal management of a single energy resource is specifically discussed. The general principles for optimal resource extraction are derived, and then applied to the examination of the characteristics of the optimal time paths of energy quantity and price; to the appraisal of the efficiency, in resource management, of various market structures; to the evaluation of various energy pricing policies; and to the examination of circumstances in which market organization is inefficient and the guidelines for corrective government policy in such cases.

SAGES: a suite of freely-available software tools for electronic disease surveillance in resource-limited settings.

Directory of Open Access Journals (Sweden)

Sheri L Lewis

Full Text Available Public health surveillance is undergoing a revolution driven by advances in the field of information technology. Many countries have experienced vast improvements in the collection, ingestion, analysis, visualization, and dissemination of public health data. Resource-limited countries have lagged behind due to challenges in information technology infrastructure, public health resources, and the costs of proprietary software. The Suite for Automated Global Electronic bioSurveillance (SAGES is a collection of modular, flexible, freely-available software tools for electronic disease surveillance in resource-limited settings. One or more SAGES tools may be used in concert with existing surveillance applications or the SAGES tools may be used en masse for an end-to-end biosurveillance capability. This flexibility allows for the development of an inexpensive, customized, and sustainable disease surveillance system. The ability to rapidly assess anomalous disease activity may lead to more efficient use of limited resources and better compliance with World Health Organization International Health Regulations.

Use and Cost of Electronic Resources in Central Library of Ferdowsi University Based on E-metrics

Directory of Open Access Journals (Sweden)

Mohammad Reza Davarpanah

2012-07-01

Full Text Available The purpose of this study was to investigate the usage of electronic journals in Ferdowsi University, Iran based on e-metrics. The paper also aimed to emphasize the analysis of cost-benefit and the correlation between the journal impact factors and the usage data. In this study experiences of Ferdowsi University library on licensing and usage of electronic resources was evaluated by providing a cost-benefit analysis based on the cost and usage statistics of electronic resources. Vendor-provided data were also compared with local usage data. The usage data were collected by tracking web-based access locally, and by collecting vender-provided usage data. The data sources were one-year of vendor-supplied e-resource usage data such as Ebsco, Elsevier, Proquest, Emerald, Oxford and Springer and local usage data collected from the Ferdowsi university web server. The study found that actual usage values differ for vendor-provided data and local usage data. Elsevier has got the highest usage degree in searches, sessions and downloads. Statistics also showed that a small number of journals satisfy significant amount of use while the majority of journals were used less frequent and some were never used at all. The users preferred the PDF rather than HTML format. The data in subject profile suggested that the provided e-resources were best suited to certain subjects. There was no correlation between IF and electronic journal use. Monitoring the usage of e-resources gained increasing importance for acquisition policy and budget decisions. The article provided information about local metrics for the six surveyed vendors/publishers, e.g. usage trends, requests per package, cost per use as related to the scientific specialty of the university.

Electronic and optical properties of new multifunctional materials via half-substituted hematite: First principles calculations

KAUST Repository

Yang, Hua

2012-01-01

Electronic structure and optical properties of α-FeMO 3 systems (M = Sc, Ti, V, Cr, Cu, Cd or In) have been investigated using first principles calculations. All of the FeMO 3 systems have a large net magnetic moment. The ground state of pure α-Fe 2O 3 is an antiferromagnetic insulator. For M = Cu or Cd, the systems are half-metallic. Strong absorption in the visible region can be observed in the Cu and Cd-doped systems. Systems with M = Sc, Ti, V, Cr or In are not half-metallic and are insulators. The strongest peaks shift toward shorter wavelengths in the absorption spectra. It is concluded that transition metal doping can modify the electronic structure and optical properties of α-FeMO 3 systems. This journal is © 2012 The Royal Society of Chemistry.

First-principles study of electronic properties of Si doped FeSe{sub 0.9} alloys

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sandeep, E-mail: sandeep@phy.iitb.ac.in; Singh, Prabhakar P. [Department of Physics, Indian Institute of Technology Bombay, Powai, Mumbai 400076 (India)

2016-05-23

We have performed first-principles study of electronic and superconducting properties of FeSe{sub 0.9-x}Si{sub x} (x = 0.0, 0.05) alloys using Korringa-Kohn-Rostoker Atomic Sphere Approximation within the coherent potential approximation (KKR-ASA-CPA). In our calculations, we used the local density approximation (LDA) for the exchange correlation potential. Our calculations show that these alloys are nonmagnetic in nature. We found that the substitution of Si at Se site into FeSe{sub 0.9} made subtle affects in the electronic structure with respect to the parent FeSe. The results have been analyzed in terms of changes in the density of states (DOS), band structures, Fermi surfaces and the superconducting transition temperature of FeSe{sub 0.9} and FeSe{sub 0.85}Si{sub 0.05} alloys.

Mechanical Properties and Electronic Structure of N and Ta Doped TiC: A First-Principles Study

International Nuclear Information System (INIS)

Ma Shi-Qing; Liu Ying; Ye Jin-Wen; Wang Bin

2014-01-01

The first principles calculations based on density functional theory (DFT) are employed to investigate the mechanical properties and electronic structure of N and Ta doped TiC. The result shows that the co-doping of nitrogen and tantalum dilates the lattice constant and improves the stability of TiC. Nitrogen and tantalum can signiβcantly enhance the elastic constants and elastic moduli of TiC. The results of B/G and C 12 –C 44 indicate tantalum can markedly increase the ductility of TiC. The electronic structure is calculated to describe the bonding characteristic, which revealed the strong hybridization between C-p and Ta-d and between N-p and Ti-d. The hardnessis is estimated by a semi-empirical model that is based on the Mulliken overlap population and bond length. While the weakest bond takes determinative role of the hardness of materials, the addition of Ta sharply reduces the hardness of TiC. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

First-principles study on the electronic, optical, and transport properties of monolayer α - and β -GeSe

Science.gov (United States)

Xu, Yuanfeng; Zhang, Hao; Shao, Hezhu; Ni, Gang; Li, Jing; Lu, Hongliang; Zhang, Rongjun; Peng, Bo; Zhu, Yongyuan; Zhu, Heyuan; Soukoulis, Costas M.

2017-12-01

The extraordinary properties and the novel applications of black phosphorene induce the research interest in the monolayer group-IV monochalcogenides. Here using first-principles calculations, we systematically investigate the electronic, transport, and optical properties of monolayer α - and β -GeSe, revealing a direct band gap of 1.61 eV for monolayer α -GeSe and an indirect band gap of 2.47 eV for monolayer β -GeSe. For monolayer β -GeSe, the electronic/hole transport is anisotropic, with an extremely high electron mobility of 2.93 ×104cm2/Vs along the armchair direction, comparable to that of black phosphorene. Furthermore, for β -GeSe, robust band gaps nearly independent of the applied tensile strain along the armchair direction are observed. Both monolayer α - and β -GeSe exhibit anisotropic optical absorption in the visible spectrum.

First principles and Debye model study of the thermodynamic, electronic and optical properties of MgO under high-temperature and pressure

Science.gov (United States)

Miao, Yurun; Li, Huayang; Wang, Hongjuan; He, Kaihua; Wang, Qingbo

2018-02-01

First principles and quasi-harmonic Debye model have been used to study the thermodynamic properties, enthalpies, electronic and optical properties of MgO up to the core-mantle boundary (CMB) condition (137 GPa and 3700 K). Thermodynamic properties calculation includes thermal expansion coefficient and capacity, which have been studied up to the CMB pressure (137 GPa) and temperature (3700 K) by the Debye model with generalized gradient approximation (GGA) and local-density approximation (LDA). First principles with hybrid functional method (PBE0) has been used to calculate the electronic and optical properties under pressure up to 137 GPa and 0 K. Our results show the Debye model with LDA and first principles with PBE0 can provide accurate thermodynamic properties, enthalpies, electronic and optical properties. Calculated enthalpies show that MgO keep NaCl (B1) structure up to 137 GPa. And MgO is a direct bandgap insulator with a 7.23 eV calculated bandgap. The bandgap increased with increasing pressure, which will induce a blue shift of optical properties. We also calculated the density of states (DOS) and discussed the relation between DOS and band, optical properties. Equations were used to fit the relations between pressure and bandgaps, absorption coefficient (α(ω)) of MgO. The equations can be used to evaluate pressure after careful calibration. Our calculations can not only be used to identify some geological processes, but also offer a reference to the applications of MgO in the future.

Building and Managing Electronic Resources in Digital Era in India with Special Reference to IUCAA and NIV, Pune: A Comparative Case Study

Science.gov (United States)

Sahu, H. K.; Singh, S. N.

2015-04-01

This paper discusses and presents a comparative case study of two libraries in Pune, India, Inter-University Centre for Astronomy and Astrophysics and Information Centre and Library of National Institute of Virology (Indian Council of Medical Research). It compares how both libraries have managed their e-resource collections, including acquisitions, subscriptions, and consortia arrangements, while also developing a collection of their own resources, including pre-prints and publications, video lectures, and other materials in an institutional repository. This study illustrates how difficult it is to manage electronic resources in a developing country like India, even though electronic resources are used more than print resources. Electronic resource management can be daunting, but with a systematic approach, various problems can be solved, and use of the materials will be enhanced.

Introduction to First-Principles Electronic Structure Methods: Application to Actinide Materials

International Nuclear Information System (INIS)

Klepeis, J E

2006-01-01

This paper provides an introduction for non-experts to first-principles electronic structure methods that are widely used in condensed-matter physics. Particular emphasis is placed on giving the appropriate background information needed to better appreciate the use of these methods to study actinide and other materials. Specifically, I describe the underlying theory sufficiently to enable an understanding of the relative strengths and weaknesses of the methods. I also explain the meaning of commonly used terminology, including density functional theory (DFT), local density approximation (LDA), and generalized gradient approximation (GGA), as well as linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods. I also briefly discuss methodologies that extend the basic theory to address specific limitations. Finally, I describe a few illustrative applications, including quantum molecular dynamics (QMD) simulations and studies of surfaces, impurities, and defects. I conclude by addressing the current controversy regarding magnetic calculations for actinide materials

Design Principles for the Atomic and Electronic Structure of Halide Perovskite Photovoltaic Materials: Insights from Computation.

Science.gov (United States)

Berger, Robert F

2018-02-09

In the current decade, perovskite solar cell research has emerged as a remarkably active, promising, and rapidly developing field. Alongside breakthroughs in synthesis and device engineering, halide perovskite photovoltaic materials have been the subject of predictive and explanatory computational work. In this Minireview, we focus on a subset of this computation: density functional theory (DFT)-based work highlighting the ways in which the electronic structure and band gap of this class of materials can be tuned via changes in atomic structure. We distill this body of computational literature into a set of underlying design principles for the band gap engineering of these materials, and rationalize these principles from the viewpoint of band-edge orbital character. We hope that this perspective provides guidance and insight toward the rational design and continued improvement of perovskite photovoltaics. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Traditional ecological knowledge: Applying principles of sustainability to wilderness resource management

Science.gov (United States)

Nancy C. Ratner; Davin L. Holen

2007-01-01

Traditional ecological knowledge within specific cultural and geographical contexts was explored during an interactive session at the 8th World Wilderness Congress to identify traditional principles of sustainability. Participants analyzed the traditional knowledge contained in ten posters from Canada and Alaska and identified and discussed the traditional principles...

Principles of economic evaluation of uranium resources in Canada

International Nuclear Information System (INIS)

Ruzicka, V.

1998-01-01

The uranium resources of Canada occur in deposits associated with unconformities in Proterozoic basins and adjacent areas. Classification of the resources is based on the confidence in the estimates and on their economic viability. The system is fully compatible with IAEA/NEA classified systems. The methods of estimating and classifying the Canadian resources is described. (author)

Cryogenic systems for proof of the principle experiment of coherent electron cooling at RHIC

Energy Technology Data Exchange (ETDEWEB)

Huang, Yuenian; Belomestnykh, Sergey; Brutus, Jean Clifford; Lederle, Dewey; Orfin, Paul; Skaritka, John; Soria, Victor; Tallerico, Thomas; Than, Roberto [Collider Accelerator Department, Brookhaven National Laboratory, Upton, NY 11973 (United States)

2014-01-29

The Coherent electron Cooling (CeC) Proof of Principle (PoP) experiment is proposed to be installed in the Relativistic Heavy Ion Collider (RHIC) to demonstrate proton and ion beam cooling with this new technique that may increase the beam luminosity in certain cases, by as much as tenfold. Within the scope of this project, a 112 MHz, 2MeV Superconducting Radio Frequency (SRF) electron gun and a 704 MHz 20MeV 5-cell SRF cavity will be installed at IP2 in the RHIC ring. The superconducting RF electron gun will be cooled in a liquid helium bath at 4.4 K. The 704 MHz 5-cell SRF cavity will be cooled in a super-fluid helium bath at 2.0 K. This paper discusses the cryogenic systems designed for both cavities. For the 112 MHz cavity cryogenic system, a condenser/boiler heat exchanger is used to isolate the cavity helium bath from pressure pulses and microphonics noise sources. For the 704 MHz 5-cell SRF cavity, a heat exchanger is also used to isolate the SRF cavity helium bath from noise sources in the sub-atmospheric pumping system operating at room temperature. Detailed designs, thermal analyses and discussions for both systems will be presented in this paper.

The genetic difference principle.

Science.gov (United States)

Farrelly, Colin

2004-01-01

In the newly emerging debates about genetics and justice three distinct principles have begun to emerge concerning what the distributive aim of genetic interventions should be. These principles are: genetic equality, a genetic decent minimum, and the genetic difference principle. In this paper, I examine the rationale of each of these principles and argue that genetic equality and a genetic decent minimum are ill-equipped to tackle what I call the currency problem and the problem of weight. The genetic difference principle is the most promising of the three principles and I develop this principle so that it takes seriously the concerns of just health care and distributive justice in general. Given the strains on public funds for other important social programmes, the costs of pursuing genetic interventions and the nature of genetic interventions, I conclude that a more lax interpretation of the genetic difference principle is appropriate. This interpretation stipulates that genetic inequalities should be arranged so that they are to the greatest reasonable benefit of the least advantaged. Such a proposal is consistent with prioritarianism and provides some practical guidance for non-ideal societies--that is, societies that do not have the endless amount of resources needed to satisfy every requirement of justice.

Electronic structures of N- and C-doped NiO from first-principles calculations

International Nuclear Information System (INIS)

Long, Run; English, Niall J.; Mooney, Damian A.

2010-01-01

The large intrinsic band gap of NiO has hindered severely its potential application under visible-light irradiation. In this Letter, we have performed first-principles calculations on the electronic properties of N- and C-doped NiO to ascertain if its band gap may be narrowed theoretically. It was found that impurity bands driven by N 2p or C 2p states appear in the band gap of NiO and that some of these locate at the conduction band minimum, which leads to a significant band gap narrowing. Our results show that N-doped NiO may serve as a potential photocatalyst relative to C-doped NiO, due to the presence of some recombination centres in C-doped NiO.

Physical acoustics principles and methods

CERN Document Server

Mason, Warren P

2012-01-01

Physical Acoustics: Principles and Methods, Volume IV, Part B: Applications to Quantum and Solid State Physics provides an introduction to the various applications of quantum mechanics to acoustics by describing several processes for which such considerations are essential. This book discusses the transmission of sound waves in molten metals. Comprised of seven chapters, this volume starts with an overview of the interactions that can happen between electrons and acoustic waves when magnetic fields are present. This text then describes acoustic and plasma waves in ionized gases wherein oscillations are subject to hydrodynamic as well as electromagnetic forces. Other chapters examine the resonances and relaxations that can take place in polymer systems. This book discusses as well the general theory of the interaction of a weak sinusoidal field with matter. The final chapter describes the sound velocities in the rocks composing the Earth. This book is a valuable resource for physicists and engineers.

[Use of internet and electronic resources among Spanish intensivist physicians. First national survey].

Science.gov (United States)

Gómez-Tello, V; Latour-Pérez, J; Añón Elizalde, J M; Palencia-Herrejón, E; Díaz-Alersi, R; De Lucas-García, N

2006-01-01

Estimate knowledge and use habits of different electronic resources in a sample of Spanish intensivists: Internet, E-mail, distribution lists, and use of portable electronic devices. Self-applied questionnaire. A 50-question questionnaire was distributed among Spanish intensivists through the hospital marketing delegates of a pharmaceutical company and of electronic forums. A total of 682 questionnaires were analyzed (participation: 74%). Ninety six percent of those surveyed used Internet individually: 67% admitted training gap. Internet was the second source of clinical consultations most used (61%), slightly behind consultation to colleagues (65%). The pages consulted most were bibliographic databases (65%) and electronic professional journals (63%), with limited use of Evidence Based Medicine pages (19%). Ninety percent of those surveyed used e-mail regularly in the practice of their profession, although 25% admitted that were not aware of its possibilities. The use of E-mail decreased significantly with increase in age. A total of 62% of the intensivists used distribution lists. Of the rest, 42% were not aware of its existence and 32% admitted they had insufficient training to handle them. Twenty percent of those surveyed had portable electronic devices and 64% considered it useful, basically due to its rapid consultation at bedside. Female gender was a negative predictive factor of its use (OR 0.35; 95% CI 0.2-0.63; p=0.0002). A large majority of the Spanish intensivists use Internet and E-mail. E-mail lists and use of portable devices are still underused resources. There are important gaps in training and infrequent use of essential pages. There are specific groups that require directed educational policies.

Model of e-learning with electronic educational resources of new generation

OpenAIRE

A. V. Loban; D. A. Lovtsov

2017-01-01

Purpose of the article: improving of scientific and methodical base of the theory of the е-learning of variability. Methods used: conceptual and logical modeling of the е-learning of variability process with electronic educational resource of new generation and system analysis of the interconnection of the studied subject area, methods, didactics approaches and information and communication technologies means. Results: the formalization complex model of the е-learning of variability with elec...

Electronics and electronic systems

CERN Document Server

Olsen, George H

1987-01-01

Electronics and Electronic Systems explores the significant developments in the field of electronics and electronic devices. This book is organized into three parts encompassing 11 chapters that discuss the fundamental circuit theory and the principles of analog and digital electronics. This book deals first with the passive components of electronic systems, such as resistors, capacitors, and inductors. These topics are followed by a discussion on the analysis of electronic circuits, which involves three ways, namely, the actual circuit, graphical techniques, and rule of thumb. The remaining p

Electrical principles and technology for engineering

CERN Document Server

Bird, John

1995-01-01

The aim of this book is to introduce students to the basic electrical and electronic principles needed by technicians in fields such as electrical engineering, electronics and telecommunications. The emphasis is on the practical aspects of the subject, and the author has followed his usual successful formula, incorporating many worked examples and problems (answers supplied) into the learning process.Electrical Principles and Technology for Engineering is John Bird's core text for Further Education courses at BTEC levels N11 and N111 and Advanced GNVQ. It is also designed to provide a comprehe

Impact of Knowledge Resources Linked to an Electronic Health Record on Frequency of Unnecessary Tests and Treatments

Science.gov (United States)

Goodman, Kenneth; Grad, Roland; Pluye, Pierre; Nowacki, Amy; Hickner, John

2012-01-01

Introduction: Electronic knowledge resources have the potential to rapidly provide answers to clinicians' questions. We sought to determine clinicians' reasons for searching these resources, the rate of finding relevant information, and the perceived clinical impact of the information they retrieved. Methods: We asked general internists, family…

Electronic Document Management: A Human Resource Management Case Study

Directory of Open Access Journals (Sweden)

Thomas Groenewald

2004-11-01

Full Text Available This case study serve as exemplar regarding what can go wrong with the implementation of an electronic document management system. Knowledge agility and knowledge as capital, is outlined against the backdrop of the information society and knowledge economy. The importance of electronic document management and control is sketched thereafter. The literature review is concluded with the impact of human resource management on knowledge agility, which includes references to the learning organisation and complexity theory. The intervention methodology, comprising three phases, follows next. The results of the three phases are presented thereafter. Partial success has been achieved with improving the human efficacy of electronic document management, however the client opted to discontinue the system in use. Opsomming Die gevalle studie dien as voorbeeld van wat kan verkeerd loop met die implementering van ’n elektroniese dokumentbestuur sisteem. Teen die agtergrond van die inligtingsgemeenskap en kennishuishouding word kennissoepelheid en kennis as kapitaal bespreek. Die literatuurstudie word afgesluit met die inpak van menslikehulpbronbestuur op kennissoepelheid, wat ook die verwysings na die leerorganisasie en kompleksietydsteorie insluit. Die metodologie van die intervensie, wat uit drie fases bestaan, volg daarna. Die resultate van die drie fases word vervolgens aangebied. Slegs gedeelte welslae is behaal met die verbetering van die menslike doeltreffendheid ten opsigte van elektroniese dokumentbestuur. Die klient besluit egter om nie voort te gaan om die huidige sisteem te gebruik nie.

Groundwater resource-directed measures software | Dennis | Water ...

African Journals Online (AJOL)

Sustainability, equity and efficiency are identified as central guiding principles in the protection, use, development, conservation, management and control of water resources. These principles recognise the basic human needs of present and future generations, the need to protect water resources, the need to share some ...

First-principles study on electronic and magnetic properties of (Mn,Fe)-codoped ZnO

International Nuclear Information System (INIS)

Cao, Huawei; Lu, Pengfei; Cai, Ningning; Zhang, Xianlong; Yu, Zhongyuan; Gao, Tao; Wang, Shumin

2014-01-01

First-principle calculations have been performed to investigate the electronic and magnetic properties of (Mn,Fe)-codoped ZnO within the generalized gradient approximation (GGA) and GGA+U schemes. The formation energy of five different configurations is investigated and the ground state is demonstrated to be ferromagnetic ordering. By applying the U correction, the band gap energy of pure ZnO is close to the experimental values, while the ferromagnetic ordering of the ground state remains unchanged. The ferromagnetic stabilization is mediated by double exchange mechanism. In addition, defects corresponding to Zn-vacancy and O-vacancy cannot enhance the ferromagnetism obviously. These results indicate that (Mn,Fe)-codoped ZnO are promising magneto-electronic and spintronic materials. - Highlights: • We have considered 5 different configurations of Mn/Fe codoped bulk ZnO. • The formation energy is calculated to investigate the structural stability. • The double exchange mechanism is responsible for the ferromagnetic behavior. • Defects are not effective method to get room temperature ferromagnetism. • Mn/Fe codoped ZnO are promising ferromagnetic semiconductor materials

First-principles study on electronic and magnetic properties of (Mn,Fe)-codoped ZnO

Energy Technology Data Exchange (ETDEWEB)

Cao, Huawei [Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), Ministry of Education, Beijing 100876 (China); Lu, Pengfei, E-mail: photon.bupt@gmail.com [Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), Ministry of Education, Beijing 100876 (China); Cai, Ningning; Zhang, Xianlong; Yu, Zhongyuan [Key Laboratory of Information Photonics and Optical Communications (Beijing University of Posts and Telecommunications), Ministry of Education, Beijing 100876 (China); Gao, Tao [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China); Wang, Shumin [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China); Photonics Laboratory, Department of Microtechnology and Nanoscience, Chalmers University of Technology, 41296 Gothenburg (Sweden)

2014-02-15

First-principle calculations have been performed to investigate the electronic and magnetic properties of (Mn,Fe)-codoped ZnO within the generalized gradient approximation (GGA) and GGA+U schemes. The formation energy of five different configurations is investigated and the ground state is demonstrated to be ferromagnetic ordering. By applying the U correction, the band gap energy of pure ZnO is close to the experimental values, while the ferromagnetic ordering of the ground state remains unchanged. The ferromagnetic stabilization is mediated by double exchange mechanism. In addition, defects corresponding to Zn-vacancy and O-vacancy cannot enhance the ferromagnetism obviously. These results indicate that (Mn,Fe)-codoped ZnO are promising magneto-electronic and spintronic materials. - Highlights: • We have considered 5 different configurations of Mn/Fe codoped bulk ZnO. • The formation energy is calculated to investigate the structural stability. • The double exchange mechanism is responsible for the ferromagnetic behavior. • Defects are not effective method to get room temperature ferromagnetism. • Mn/Fe codoped ZnO are promising ferromagnetic semiconductor materials.

Challenges in the implementation of an electronic surveillance system in a resource-limited setting: Alerta, in Peru

Directory of Open Access Journals (Sweden)

Soto Giselle

2008-11-01

Full Text Available Abstract Background Infectious disease surveillance is a primary public health function in resource-limited settings. In 2003, an electronic disease surveillance system (Alerta was established in the Peruvian Navy with support from the U.S. Naval Medical Research Center Detachment (NMRCD. Many challenges arose during the implementation process, and a variety of solutions were applied. The purpose of this paper is to identify and discuss these issues. Methods This is a retrospective description of the Alerta implementation. After a thoughtful evaluation according to the Centers for Disease Control and Prevention (CDC guidelines, the main challenges to implementation were identified and solutions were devised in the context of a resource-limited setting, Peru. Results After four years of operation, we have identified a number of challenges in implementing and operating this electronic disease surveillance system. These can be divided into the following categories: (1 issues with personnel and stakeholders; (2 issues with resources in a developing setting; (3 issues with processes involved in the collection of data and operation of the system; and (4 issues with organization at the central hub. Some of the challenges are unique to resource-limited settings, but many are applicable for any surveillance system. For each of these challenges, we developed feasible solutions that are discussed. Conclusion There are many challenges to overcome when implementing an electronic disease surveillance system, not only related to technology issues. A comprehensive approach is required for success, including: technical support, personnel management, effective training, and cultural sensitivity in order to assure the effective deployment of an electronic disease surveillance system.

Spin resolved electronic transport through N@C20 fullerene molecule between Au electrodes: A first principles study

Science.gov (United States)

Caliskan, Serkan

2018-05-01

Using first principles study, through Density Functional Theory combined with Non Equilibrium Green's Function Formalism, electronic properties of endohedral N@C20 fullerene molecule joining Au electrodes (Au-N@C20) was addressed in the presence of spin property. The electronic transport behavior across the Au-N@C20 molecular junction was investigated by spin resolved transmission, density of states, molecular orbitals, differential conductance and current-voltage (I-V) characteristics. Spin asymmetric variation was clearly observed in the results due to single N atom encapsulated in the C20 fullerene cage, where the N atom played an essential role in the electronic behavior of Au-N@C20. This N@C20 based molecular bridge, exhibiting a spin dependent I-V variation, revealed a metallic behavior within the bias range from -1 V to 1 V. The induced magnetic moment, spin polarization and other relevant quantities associated with the spin resolved transport were elucidated.

Electronic structure and equation of state of Sm2Co17 from first-principles DFT+ U

Science.gov (United States)

Huang, Patrick; Butch, Nicholas P.; Jeffries, Jason R.; McCall, Scott K.

2013-03-01

Rare-earth intermetallics have important applications as permanent magnet materials, and the rational optimization of their properties would benefit greatly from guidance from ab initio modeling. However, these systems are particularly challenging for current electronic structure methods. Here, we present an ab initio study of the prototype material Sm2Co17 and related compounds, using density functional theory with a Hubbard correction for the Sm 4 f-electrons (DFT+ U method) and ultrasoft pseudopotentials. The Hubbard U parameter is derived from first principles [Cococcioni and de Gironcoli, PRB 71, 035105 (2005)], not fit to experiment. Our calculations are in good agreement with recent photoemission measurements at ambient pressure and the equation of state up to 40 GPa, thus supporting the validity of our DFT+ U model. Prepared by LLNL under Contract DE-AC52-07NA27344.

Elastic, dynamical, and electronic properties of LiHg and Li3Hg: First-principles study

Science.gov (United States)

Wang, Yan; Hao, Chun-Mei; Huang, Hong-Mei; Li, Yan-Ling

2018-04-01

The elastic, dynamical, and electronic properties of cubic LiHg and Li3Hg were investigated based on first-principles methods. The elastic constants and phonon spectral calculations confirmed the mechanical and dynamical stability of the materials at ambient conditions. The obtained elastic moduli of LiHg are slightly larger than those of Li3Hg. Both LiHg and Li3Hg are ductile materials with strong shear anisotropy as metals with mixed ionic, covalent, and metallic interactions. The calculated Debye temperatures are 223.5 K and 230.6 K for LiHg and Li3Hg, respectively. The calculated phonon frequency of the T2 g mode in Li3Hg is 326.8 cm-1. The p states from the Hg and Li atoms dominate the electronic structure near the Fermi level. These findings may inspire further experimental and theoretical study on the potential technical and engineering applications of similar alkali metal-based intermetallic compounds.

First-Principles Study of Superconductivity in Ultra- thin Pb Films

Science.gov (United States)

Noffsinger, Jesse; Cohen, Marvin L.

2010-03-01

Recently, superconductivity in ultrathin layered Pb has been confirmed in samples with as few as two atomic layers [S. Qin, J. Kim, Q. Niu, and C.-K. Shih, Science 2009]. Interestingly, the prototypical strong-coupling superconductor exhibits different Tc's for differing surface reconstructions in samples with only two monolayers. Additionally, Tc is seen to oscillate as the number of atomic layers is increased. Using first principles techniques based on Wannier functions, we analyze the electronic structure, lattice dynamics and electron-phonon coupling for varying thicknesses and surface reconstructions of layered Pb. We discuss results as they relate to superconductivity in the bulk, for which accurate calculations of superconducting properties can be compared to experiment [W. L. McMillan and J.M. Rowell, PRL 1965]. This work was supported by National Science Foundation Grant No. DMR07-05941, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by the Lawrencium computational cluster resource provided by the IT Division at the Lawrence Berkeley National Laboratory (Supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231)

Electronics pocket book

CERN Document Server

Parr, E A

1981-01-01

Electronics Pocket Book, Fourth Edition is a nonmathematical presentation of the many varied topics covered by electronics. The book tackles electron physics, electronic components (i.e. resistors, capacitors, and conductors), integrated circuits, and the principles of a.c. and d.c. amplifiers. The text also discusses oscillators, digital circuits, digital computers, and optoelectronics (i.e., sensors, emitters, and devices that utilize light). Communications (such as line and radio communications, transmitters, receivers, and digital techniques); the principles and examples of servosystems; a

Ferroelectric Electron Emission Principles and Technology

CERN Document Server

Riege, H

1997-01-01

The spontaneous electrical polarization of ferroelectric materials can be changed either by reversal or by phase transition from a ferroelectric into a non-ferroelectric state or vice versa. If spontaneous polarization changes are induced with fast heat, mechanical pressure, laser or electric field pulses on a submicrosecond time scale, strong uncompensated surface charge densities and related polarization fields are generated, which may lead to the intense self-emission of electrons from the negatively charged free surface areas of the ferroelectric sample. Hence, electron guns can be built with extraction-field-free ferroelectric cathodes, which may be easily separated from the high-field regions of post-accelerating gap structures. The intensity, the energy, the temporal and spatial distribution, and the repetitition rate of the emitted electron beams can be controlled within wide limits via the excitation pulses and external focusing and accelerating electromagnetic fields. The technological advantages an...

The structural, mechanical, and electronic properties of LiAlB{sub 4} under pressure from first principles

Energy Technology Data Exchange (ETDEWEB)

Tayran, Ceren; Aydin, Sezgin [Department of Physics, Sciences Faculty, Gazi University, 06500, Ankara (Turkey)

2017-05-15

The structural, elastic, mechanical, and electronic properties of lithium aluminum tetraboride (LiAlB{sub 4}) under hydrostatic pressure have been investigated by using first-principles density functional theory calculations. The effects of pressure on the lattice parameters, volume, and bond lengths are studied. It is indicated from the calculated elastic constants that LiAlB{sub 4} compound is mechanically stable on 0-40 GPa pressure range. And, by means of these elastic constants set, some mechanical properties such as bulk, shear and Young's moduli, and then Poisson's ratio are determined as a function of pressure. Also, the ductile or brittle nature of LiAlB{sub 4} is examined. Additionally, using the first-principles data obtained from the geometry optimizations, the hardness of LiAlB{sub 4} is calculated, and its nature is investigated under pressure. Furthermore, in order to reveal the effects of pressure on the electronic and binding behavior of the compound, band structures, total and partial density of states, charge densities, Mulliken atomic charges, and bond overlap populations are searched as a function of pressure. To check the stability of the compound, phonon dispersion curves are calculated. And, the results are compared with the other convenient borides. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Design principles of a resource sharing real-time-system

International Nuclear Information System (INIS)

Gliss, B.

1978-01-01

Criteria for developing a resource sharing real time system are given. Resource sharing necessitates extra precautions for guaranteeing stable operating conditions. Some relevant measures to insure reliability and maintainability of the system are discussed. (Auth.)

Characterization of cooling systems based on heat pipe principle to control operation temperature of high-tech electronic components

International Nuclear Information System (INIS)

Dobre, Tanase; Parvulescu, Oana Cristina; Stoica, Anicuta; Iavorschi, Gustav

2010-01-01

The use of cooling systems based on heat pipe principle to control operation temperature of electronic components is very efficient. They have an excellent miniaturizing capacity and this fact creates adaptability for more practical situations. Starting from the observation that these cooling systems are not precisely characterized from the thermal efficiency point of view, the present paper proposes a methodology of data acquisition for their thermal characterization. An experimental set-up and a data processing algorithm are shown to describe the cooling of a heat generating electronic device using heat pipes. A Thermalright SI-97 PC cooling system is employed as a case-study to determine the heat transfer characteristics of a fins cooler.

Elucidating the hard/soft acid/base principle: A perspective based on half-reactions

International Nuclear Information System (INIS)

Ayers, Paul W.; Parr, Robert G.; Pearson, Ralph G.

2006-01-01

A comprehensive analysis is presented for the acid-base double-exchange reaction as well as the associated acid-displacement and base-displacement 'half-reactions' with the goal of elucidating the meaning of the hard/soft acid/base (HSAB) principle and the conditions for its validity. When electron-transfer effects are important and other effects are negligible, the HSAB principle is driven by the surpassing stability of the soft acid/soft base product. When electrostatic effects dominate the reactivity, the HSAB principle is driven by the surpassing stability of the hard acid/hard base product. Because electron-transfer effects favor soft/soft interactions, while electrostatic effects favor hard/hard interactions, acid-base exchange reactions may be used to determine whether a reagent's reactivity is dominated by electron-transfer or by electrostatic effects. Because electron-transfer and electrostatic considerations separately favor the HSAB principle whenever the electronic chemical potentials of the acids and bases involved in the reaction are similar, our analysis provides strong support for the HSAB principle. The electronic chemical potential measures the intrinsic strength of acids and bases

Considering Point-of-Care Electronic Medical Resources in Lieu of Traditional Textbooks for Medical Education.

Science.gov (United States)

Hale, LaDonna S; Wallace, Michelle M; Adams, Courtney R; Kaufman, Michelle L; Snyder, Courtney L

2015-09-01

Selecting resources to support didactic courses is a critical decision, and the advantages and disadvantages must be carefully considered. During clinical rotations, students not only need to possess strong background knowledge but also are expected to be proficient with the same evidence-based POC resources used by clinicians. Students place high value on “real world” learning and therefore may place more value on POC resources that they know practicing clinicians use as compared with medical textbooks. The condensed nature of PA education requires students to develop background knowledge and information literacy skills over a short period. One way to build that knowledge and those skills simultaneously is to use POC resources in lieu of traditional medical textbooks during didactic training. Electronic POC resources offer several advantages over traditional textbooks and should be considered as viable options in PA education.

Principles of electron tunneling spectroscopy

CERN Document Server

Wolf, E L

2012-01-01

Electron tunnelling spectroscopy as a research tool has strongly advanced understanding of superconductivity. This book explains the physics and instrumentation behind the advances illustrated in beautiful images of atoms, rings of atoms and exotic states in high temperature superconductors, and summarizes the state of knowledge that has resulted.

Economic principles for resource allocation decisions at national level to mitigate the effects of disease in farm animal populations.

Science.gov (United States)

Howe, K S; Häsler, B; Stärk, K D C

2013-01-01

This paper originated in a project to develop a practical, generic tool for the economic evaluation of surveillance for farm animal diseases at national level by a state veterinary service. Fundamental to that process is integration of epidemiological and economic perspectives. Using a generalized example of epidemic disease, we show that an epidemic curve maps into its economic equivalent, a disease mitigation function, that traces the relationship between value losses avoided and mitigation resources expended. Crucially, elementary economic principles show that mitigation, defined as loss reduction achieved by surveillance and intervention, must be explicitly conceptualized as a three-variable process, and the relative contributions of surveillance and intervention resources investigated with regard to the substitution possibilities between them. Modelling the resultant mitigation surfaces for different diseases should become a standard approach to animal health policy analysis for economic efficiency, a contribution to the evolving agenda for animal health economics research.

Can Evolutionary Principles Explain Patterns of Family Violence?

Science.gov (United States)

Archer, John

2013-01-01

The article's aim is to evaluate the application of the evolutionary principles of kin selection, reproductive value, and resource holding power to the understanding of family violence. The principles are described in relation to specific predictions and the mechanisms underlying these. Predictions are evaluated for physical violence perpetrated…

Resource conservation approached with an appropriate collection and upgrade-remanufacturing for used electronic products.

Science.gov (United States)

Zlamparet, Gabriel I; Tan, Quanyin; Stevels, A B; Li, Jinhui

2018-03-01

This comparative research represents an example for a better conservation of resources by reducing the amount of waste (kg) and providing it more value under the umbrella of remanufacturing. The three discussed cases will expose three issues already addressed separately in the literature. The generation of waste electrical and electronic equipment (WEEE) interacts with the environmental depletion. In this article, we gave the examples of addressed issues under the concept of remanufacturing. Online collection opportunity eliminating classical collection, a business to business (B2B) implementation for remanufactured servers and medical devices. The material reuse (recycling), component sustainability, reuse (part harvesting), product reuse (after repair/remanufacturing) indicates the recovery potential using remanufacturing tool for a better conservation of resources adding more value to the products. Our findings can provide an overview of new system organization for the general collection, market potential and the technological advantages using remanufacturing instead of recycling of WEEE or used electrical and electronic equipment. Copyright © 2017. Published by Elsevier Ltd.

Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

Science.gov (United States)

Urru, Andrea; Dal Corso, Andrea

2018-05-01

We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

Effects of the Use of Electronic Human Resource Management (EHRM Within Human Resource Management (HRM Functions at Universities

Directory of Open Access Journals (Sweden)

Chux Gervase Iwu

2016-09-01

Full Text Available This study set out to examine the effect of e-hrm systems in assisting human resource practitioners to execute their duties and responsibilities. In comparison to developed economies of the world, information technology adoption in sub-Saharan Africa has not been without certain glitches. Some of the factors that are responsible for these include poor need identification, sustainable funding, and insufficient skills. Besides these factors, there is also the issue of change management and users sticking to what they already know. Although, the above factors seem negative, there is strong evidence that information systems such as electronic human resource management present benefits to an organization. To achieve this, a dual research approach was utilized. Literature assisted immensely in both the development of the conceptual framework upon which the study hinged as well as in the development of the questionnaire items. The study also made use of an interview checklist to guide the participants. The findings reveal a mix of responses that indicate that while there are gains in adopting e-hrm systems, it is wiser to consider supporting resources as well as articulate the needs of the university better before any investment is made.

Electronic human resource management: Enhancing or entrancing?

Directory of Open Access Journals (Sweden)

Paul Poisat

2017-07-01

Full Text Available Orientation: This article provides an investigation into the current level of development of the body of knowledge related to electronic human resource management (e-HRM by means of a qualitative content analysis. Several aspects of e-HRM, namely definitions of e-HRM, the theoretical perspectives around e-HRM, the role of e-HRM, the various types of e-HRM and the requirements for successful e-HRM, are examined. Research purpose: The purpose of the article was to determine the status of e-HRM and examine the studies that report on the link between e-HRM and organisational productivity. Motivation for the study: e-HRM has the capacity to improve organisational efficiency and leverage the role of human resources (HR as a strategic business partner. Main findings: The notion that the implementation of e-HRM will lead to improved organisational productivity is commonly assumed; however, empirical evidence in this regard was found to be limited. Practical/managerial implications: From the results of this investigation it is evident that more research is required to gain a greater understanding of the influence of e-HRM on organisational productivity, as well as to develop measures for assessing this influence. Contribution: This article proposes additional areas to research and measure when investigating the effectiveness of e-HRM. It provides a different lens from which to view e-HRM assessment whilst keeping it within recognised HR measurement parameters (the HR value chain. In addition, it not only provides areas for measuring e-HRM’s influence but also provides important clues as to how the measurements may be approached.

Recent Progress in First-Principles Methods for Computing the Electronic Structure of Correlated Materials

Directory of Open Access Journals (Sweden)

Fredrik Nilsson

2018-03-01

Full Text Available Substantial progress has been achieved in the last couple of decades in computing the electronic structure of correlated materials from first principles. This progress has been driven by parallel development in theory and numerical algorithms. Theoretical development in combining ab initio approaches and many-body methods is particularly promising. A crucial role is also played by a systematic method for deriving a low-energy model, which bridges the gap between real and model systems. In this article, an overview is given tracing the development from the LDA+U to the latest progress in combining the G W method and (extended dynamical mean-field theory ( G W +EDMFT. The emphasis is on conceptual and theoretical aspects rather than technical ones.

MUCH Electronic Publishing Environment: Principles and Practices.

Science.gov (United States)

Min, Zheng; Rada, Roy

1994-01-01

Discusses the electronic publishing system called Many Using and Creating Hypermedia (MUCH). The MUCH system supports collaborative authoring; reuse; formatting and printing; management; hypermedia publishing and delivery; and interchange. This article examines electronic publishing environments; the MUCH environment; publishing activities; and…

First-principles calculations of structural, electronic and optical properties of CdxZn1-xS alloys

KAUST Repository

Noor, Naveed Ahmed

2010-10-01

Structural, electronic and optical properties of ternary alloy system CdxZn1-xS have been studied using first-principles approach based on density functional theory. Electronic structure, density of states and energy band gap values for CdxZn1-xS are estimated in the range 0 ≤ x ≤ 1 using both the standard local density approximation (LDA) as well as the generalized gradient approximations (GGA) of Wu-Cohen (WC) for the exchange-correlation potential. It is observed that the direct band gap EgΓ-Γ of CdxZn1-xS decreases nonlinearly with the compositional parameter x, as observed experimentally. It is also found that Cd s and d, S p and Zn d states play a major role in determining the electronic properties of this alloy system. Furthermore, results for complex dielectric constant ε(ω), refractive index n(ω), normal-incidence reflectivity R(ω), absorption coefficient α(ω) and optical conductivity σ(ω) are also described in a wide range of the incident photon energy and compared with the existing experimental data. © 2010 Elsevier B.V. All rights reserved.

First-principle study of pressure-induced phase transitions and electronic properties of electride Y2C

Science.gov (United States)

Feng, Caihui; Shan, Jingfeng; Xu, Aoshu; Xu, Yang; Zhang, Meiguang; Lin, Tingting

2017-10-01

Trigonal yttrium hypocarbide (Y2C), crystallizing in a layered hR3 structure, is an intriguing quasi-two-dimensional electride metal with potential application for the next generation of electronics. By using an efficient structure search method in combination with first-principles calculations, we have extensively explored the phase transitions and electronic properties of Y2C in a wide pressure range of 0-200 GPa. Three structural transformations were predicted, as hR3 → oP12 → tI12 → mC12. Calculated pressures of phase transition are 20, 118, and 126 GPa, respectively. The high-pressure oP12 phase exhibits a three-dimensional extended C-Y network built up from face- and edge-sharing CY8 hendecahedrons, whereas both the tI12 and mC12 phases are featured by the presence of C2 units. No anionic electrons confined to interstitial spaces have been found in the three predicted high-pressure phases, indicating that they are not electrides. Moreover, Y2C is dynamically stable and also energetically stable relative to the decomposition into its elemental solids.

First principles study of structural, electronic and optical properties of polymorphic forms of Rb 2Te

Science.gov (United States)

Alay-e-Abbas, S. M.; Shaukat, A.

2011-05-01

First-principles density functional theory calculations have been performed for structural, electronic and optical properties of three polymorphic forms of rubidium telluride. Our calculations show that the sequence of pressure induced phase transitions for Rb 2Te is Fm3¯m → Pnma → P6 3/mmc which is governed by the coordination numbers of the anions. From our calculated low transition pressure value for the Fm3¯m phase to the Pnma phase transition of Rb 2Te, the experimentally observed meta-stability of Fm3¯m phase at ambient conditions seems reasonable. The electronic band structure has been calculated for all the three phases and the change in the energy band gap is discussed for the transitioning phases. The energy band gaps obtained for the three phases of Rb 2Te decrease on going from the meta-stable phase to the high-pressure phases. Total and partial density of states for the polymorphs of Rb 2Te has been computed to elucidate the contribution of various atomic states on the electronic band structure. Furthermore, optical properties for all the polymorphic forms have been presented in form of the complex dielectric function.

Attribute framing affects the perceived fairness of health care allocation principles

Directory of Open Access Journals (Sweden)

Eyal Gamliel

2010-02-01

Full Text Available Health care resource allocation is a central moral issue in health policy, and opinions about it have been studied extensively. Allocation situations have typically been described and presented in a positive manner (i.e., who should receive medical aid. On the other hand, the negative valence allocation situation (i.e., who should not receive medical aid has been relatively neglected. This paper demonstrates how positive versus negative framing of the exact same health care resource allocation situation can affect the perceived fairness of allocation principles. Participants usually perceived non-egalitarian principles (i.e., need, equity and tenure to be fairer in positively framed situations (i.e., to deliver health care resources to certain patients than negatively framed situation (i.e., not to deliver health care resources to other patients. However, framing did not affect the perceived fairness of the equality principle (i.e., a random draw. The paper offers a theoretical explanation for the effect of framing on the perceived fairness of heath care resource allocation and discusses implications for both researchers and policy makers.

Interlayer coupling effects on electronic properties of the phosphorene/h-BN van der Walls heterostructure: A first principles investigation

Science.gov (United States)

Luo, Yanwei; Zhang, Shuai; Chen, Weiguang; Jia, Yu

2018-04-01

By using first-principles calculations, we systemically investigate the electronic properties of phosphorene/h-BN heterostructure with different interlayer distances. Our results show that the electronic states in the vicinity of the Fermi level are completely dominated by phosphorene, and the system exhibits type-I band alignment consequently. Moreover, we also reveal the variation of the band structure of phosphorene/h-BN heterostructure with different interlayer distances. The band gap undergoes a direct to indirect transition as decreasing the interlayer distance. The mechanism of the band gap transition can be attributed to the different energy levels shifts, according to different electronic orbital characters on the band edge. In specific, the energy level of the P_pz bonding state shifts up while that of the P_px,py bonding state falls down, along with the enhancement of the interactions between phosphorene and h-BN.

Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron-electron interactions, application to graphene

Science.gov (United States)

Borowik, Piotr; Thobel, Jean-Luc; Adamowicz, Leszek

2017-07-01

Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron-electron (e-e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e-e interactions. This required adapting the treatment of e-e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

Identifying and evaluating electronic learning resources for use in adult-gerontology nurse practitioner education.

Science.gov (United States)

Thompson, Hilaire J; Belza, Basia; Baker, Margaret; Christianson, Phyllis; Doorenbos, Ardith; Nguyen, Huong

2014-01-01

Enhancing existing curricula to meet newly published adult-gerontology advanced practice registered nurse (APRN) competencies in an efficient manner presents a challenge to nurse educators. Incorporating shared, published electronic learning resources (ELRs) in existing or new courses may be appropriate in order to assist students in achieving competencies. The purposes of this project were to (a) identify relevant available ELR for use in enhancing geriatric APRN education and (b) to evaluate the educational utility of identified ELRs based on established criteria. A multilevel search strategy was used. Two independent team members reviewed identified ELR against established criteria to ensure utility. Only resources meeting all criteria were retained. Resources were found for each of the competency areas and included formats such as podcasts, Web casts, case studies, and teaching videos. In many cases, resources were identified using supplemental strategies and not through traditional search or search of existing geriatric repositories. Resources identified have been useful to advanced practice educators in improving lecture and seminar content in a particular topic area and providing students and preceptors with additional self-learning resources. Addressing sustainability within geriatric APRN education is critical for sharing of best practices among educators and for sustainability of teaching and related resources. © 2014.

Systematic review of electronic surveillance of infectious diseases with emphasis on antimicrobial resistance surveillance in resource-limited settings.

Science.gov (United States)

Rattanaumpawan, Pinyo; Boonyasiri, Adhiratha; Vong, Sirenda; Thamlikitkul, Visanu

2018-02-01

Electronic surveillance of infectious diseases involves rapidly collecting, collating, and analyzing vast amounts of data from interrelated multiple databases. Although many developed countries have invested in electronic surveillance for infectious diseases, the system still presents a challenge for resource-limited health care settings. We conducted a systematic review by performing a comprehensive literature search on MEDLINE (January 2000-December 2015) to identify studies relevant to electronic surveillance of infectious diseases. Study characteristics and results were extracted and systematically reviewed by 3 infectious disease physicians. A total of 110 studies were included. Most surveillance systems were developed and implemented in high-income countries; less than one-quarter were conducted in low-or middle-income countries. Information technologies can be used to facilitate the process of obtaining laboratory, clinical, and pharmacologic data for the surveillance of infectious diseases, including antimicrobial resistance (AMR) infections. These novel systems require greater resources; however, we found that using electronic surveillance systems could result in shorter times to detect targeted infectious diseases and improvement of data collection. This study highlights a lack of resources in areas where an effective, rapid surveillance system is most needed. The availability of information technology for the electronic surveillance of infectious diseases, including AMR infections, will facilitate the prevention and containment of such emerging infectious diseases. Copyright © 2018 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Elsevier Inc. All rights reserved.

Molecular Electronics: Insight from First-Principles Transport Simulations

DEFF Research Database (Denmark)

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2010-01-01

Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments. For example, we may learn how the bonding conditions of a molecule to the electrodes affect...

Influences of Stone–Wales defects on the structure, stability and electronic properties of antimonene: A first principle study

Energy Technology Data Exchange (ETDEWEB)

Hu, Yonghong, E-mail: hchyh2001@tom.com [School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning 437100 (China); Wu, Yunyi [Department of Energy Materials and Technology, General Research Institute for Nonferrous Metals, Beijing (China); Zhang, Shengli [Institute of Optoelectronics & Nanomaterials, Herbert Gleiter Institute of Nanoscience, College of Materials Science and Engineering, Nanjing University of Science and Technology, Nanjing 210094 (China)

2016-12-15

Defects are inevitably present in materials, and their existence strongly affects the fundamental physical properties of 2D materials. Here, we performed first-principles calculations to study the structural and electronic properties of antimonene with Stone–Wales defects, highlighting the differences in the structure and electronic properties. Our calculations show that the presence of a SW defect in antimonene changes the geometrical symmetry. And the band gap decreases in electronic band structure with the decrease of the SW defect concentration. The formation energy and cohesive energy of a SW defect in antimonene are studied, showing the possibility of its existence and its good stability, respectively. The difference charge density near the SW defect is explored, by which the structural deformations of antimonene are explained. At last, we calculated the STM images for the SW defective antimonene to provide more information and characters for possible experimental observation. These results may provide meaningful references to the development and design of novel nanodevices based on new 2D materials.

From Millennium ERM to Proquest 360 Resource Manager: Implementing a new Electronic Resources Management System ERMS in an International Graduate Research University in Saudi Arabia

KAUST Repository

Ramli, Rindra M.

2017-01-01

An overview of the Recommendation Study and the subsequent Implementation of a new Electronic Resources Management system ERMS in an international graduate research university in the Kingdom of Saudi Arabia. It covers the timeline, deliverables

GPU based acceleration of first principles calculation

International Nuclear Information System (INIS)

Tomono, H; Tsumuraya, K; Aoki, M; Iitaka, T

2010-01-01

We present a Graphics Processing Unit (GPU) accelerated simulations of first principles electronic structure calculations. The FFT, which is the most time-consuming part, is about 10 times accelerated. As the result, the total computation time of a first principles calculation is reduced to 15 percent of that of the CPU.

Structuring Principles for the Designer

DEFF Research Database (Denmark)

Miller, Thomas Dedenroth; Pedersen, Per Erik Elgård

1998-01-01

This paper suggests a list of structuring principles that support the designer in making alternative concepts for product architectures. Different architectures may support different points of diversification in the product life-cycle. The aim is to balance reuse of resources and reduction...

Phase stability, electronic structure and equation of state of cubic TcN from first-principles calculations

International Nuclear Information System (INIS)

Song, T.; Ma, Q.; Sun, X.W.; Liu, Z.J.; Fu, Z.J.; Wei, X.P.; Wang, T.; Tian, J.H.

2016-01-01

The phase transition, electronic band structure, and equation of state (EOS) of cubic TcN are investigated by first-principles pseudopotential method based on density-functional theory. The calculated enthalpies show that TcN has a transformation between zincblende and rocksalt phases and the pressure determined by the relative enthalpy is 32 GPa. The calculated band structure indicates the metallic feature and it might make cubic TcN a better candidate for hard materials. Particular attention is paid to the predictions of volume, bulk modulus and its pressure derivative which play a central role in the formulation of approximate EOSs using the quasi-harmonic Debye model. - Highlights: • The phase transition pressure and electronic band structure for cubic TcN are determined. • Particular attention is paid to investigate the equation of state parameters for cubic TcN. • The thermodynamic properties up to 80 GPa and 3000 K are successfully predicted.

Electrical principles 3 checkbook

CERN Document Server

Bird, J O

2013-01-01

Electrical Principles 3 Checkbook aims to introduce students to the basic electrical principles needed by technicians in electrical engineering, electronics, and telecommunications.The book first tackles circuit theorems, single-phase series A.C. circuits, and single-phase parallel A.C. circuits. Discussions focus on worked problems on parallel A.C. circuits, worked problems on series A.C. circuits, main points concerned with D.C. circuit analysis, worked problems on circuit theorems, and further problems on circuit theorems. The manuscript then examines three-phase systems and D.C. transients

A new fractionator principle with varying sampling fractions: exemplified by estimation of synapse number using electron microscopy

DEFF Research Database (Denmark)

Witgen, Brent Marvin; Grady, M. Sean; Nyengaard, Jens Randel

2006-01-01

The quantification of ultrastructure has been permanently improved by the application of new stereological principles. Both precision and efficiency have been enhanced. Here we report for the first time a fractionator method that can be applied at the electron microscopy level. This new design...... the total object number using section sampling fractions based on the average thickness of sections of variable thicknesses. As an alternative, this approach estimates the correct particle section sampling probability based on an estimator of the Horvitz-Thompson type, resulting in a theoretically more...

Free electron laser

International Nuclear Information System (INIS)

Ortega, J.M.; Billardon, M.

1986-01-01

Operation principle of a laser and an oscillator are recalled together with the klystron one. In the free electron laser, electrons go through an undulator or an optical klystron. Principles of the last one are given. The two distinct ways of producing coherent radiation with an undulator and an optical klystron are presented. The first one is the use of the free electron laser, the second is to make use of the spontaneous emission generation (harmonics generation). The different current types of free electron lasers are presented (Stanford, Los Alamos, Aco at Orsay). Prospects and applications are given in conclusion [fr

EcoPrinciples Connect: A Pilot Project Matching Ecological Principles with Available Data to Promote Ecosystem-Based Management

Science.gov (United States)

Martone, R. G.; Erickson, A.; Mach, M.; Hale, T.; McGregor, A.; Prahler, E. E.; Foley, M.; Caldwell, M.; Hartge, E. H.

2016-12-01

Ocean and coastal practitioners work within existing financial constraints, jurisdictions, and legislative authorities to manage coastal and marine resources while seeking to promote and maintain a healthy and productive coastal economy. Fulfilling this mandate necessitates incorporation of best available science, including ecosystem-based management (EBM) into coastal and ocean management decisions. To do this, many agencies seek ways to apply lessons from ecological theory into their decision processes. However, making direct connections between science and management can be challenging, in part because there is no process for linking ecological principles (e.g., maintaining species diversity, habitat diversity, connectivity and populations of key species) with available data. Here we explore how incorporating emerging data and methods into resource management at a local scale can improve the overall health of our coastal and marine ecosystems. We introduce a new web-based interface, EcoPrinciples Connect, that links marine managers to scientific and geospatial information through the lens of these ecological principles, ultimately helping managers become more efficient, more consistent, and advance the integration of EBM. The EcoPrinciples Connect tool grew directly out of needs identified in response to a Center for Ocean Solutions reference guide, Incorporating Ecological Principles into California Ocean and Coastal Management: Examples from Practice. Here we illustrate how we have worked to translate the information in this guide into a co-developed, user-centric tool for agency staff. Specifically, we present a pilot project where we match publicly available data to the ecological principles for the California San Francisco Bay Conservation and Development Commission. We will share early lessons learned from pilot development and highlight opportunities for future transferability to an expanded group of practitioners.

Interactions between low energy electrons and DNA: a perspective from first-principles simulations

Science.gov (United States)

Kohanoff, Jorge; McAllister, Maeve; Tribello, Gareth A.; Gu, Bin

2017-09-01

DNA damage caused by irradiation has been studied for many decades. Such studies allow us to better assess the dangers posed by radiation, and to increase the efficiency of the radiotherapies that are used to combat cancer. A full description of the irradiation process involves multiple size and time scales. It starts with the interaction of radiation—either photons or swift ions—and the biological medium, which causes electronic excitation and ionisation. The two main products of ionising radiation are thus electrons and radicals. Both of these species can cause damage to biological molecules, in particular DNA. In the long run, this molecular level damage can prevent cells from replicating and can hence lead to cell death. For a long time it was assumed that the main actors in the damage process were the radicals. However, experiments in a seminal paper by the group of Leon Sanche in 2000 showed that low-energy electrons (LEE), such as those generated when ionising biological targets, can also cause bond breaks in biomolecules, and strand breaks in plasmid DNA in particular (Boudaiffa et al 2000 Science 287 1658-60). These results prompted a significant amount of experimental and theoretical work aimed at elucidating the role played by LEE in DNA damage. In this Topical Review we provide a general overview of the problem. We discuss experimental findings and theoretical results hand in hand with the aim of describing the physics and chemistry that occurs during the process of radiation damage, from the initial stages of electronic excitation, through the inelastic propagation of electrons in the medium, the interaction of electrons with DNA, and the chemical end-point effects on DNA. A very important aspect of this discussion is the consideration of a realistic, physiological environment. The role played by the aqueous solution and the amino acids from the histones in chromatin must be considered. Moreover, thermal fluctuations must be incorporated when

Proposal for the theoretical investigation of the relativistic beam-plasma interaction with application to the proof-of-principle electron beam-heated linear solenoidal reactor

International Nuclear Information System (INIS)

Thode, L.E.

1978-09-01

A 36-month program to study the linear relativistic electron beam-plasma interaction is proposed. This program is part of a joint proposal between the Physics International Company (PI) and Los Alamos Scientific Laboratory (LASL) that combines the advanced electron beam generator technology at PI with the highly developed computer simulation technology at LASL. The proposed LASL program includes direct support for 1- and 3-m beam-plasma interaction experiments planned at PI and development of theory relevant for design of a 10-m proof-of-principle electron beam-driven linear solenoidal reactor

Open-Source Electronic Health Record Systems for Low-Resource Settings: Systematic Review.

Science.gov (United States)

Syzdykova, Assel; Malta, André; Zolfo, Maria; Diro, Ermias; Oliveira, José Luis

2017-11-13

Despite the great impact of information and communication technologies on clinical practice and on the quality of health services, this trend has been almost exclusive to developed countries, whereas countries with poor resources suffer from many economic and social issues that have hindered the real benefits of electronic health (eHealth) tools. As a component of eHealth systems, electronic health records (EHRs) play a fundamental role in patient management and effective medical care services. Thus, the adoption of EHRs in regions with a lack of infrastructure, untrained staff, and ill-equipped health care providers is an important task. However, the main barrier to adopting EHR software in low- and middle-income countries is the cost of its purchase and maintenance, which highlights the open-source approach as a good solution for these underserved areas. The aim of this study was to conduct a systematic review of open-source EHR systems based on the requirements and limitations of low-resource settings. First, we reviewed existing literature on the comparison of available open-source solutions. In close collaboration with the University of Gondar Hospital, Ethiopia, we identified common limitations in poor resource environments and also the main requirements that EHRs should support. Then, we extensively evaluated the current open-source EHR solutions, discussing their strengths and weaknesses, and their appropriateness to fulfill a predefined set of features relevant for low-resource settings. The evaluation methodology allowed assessment of several key aspects of available solutions that are as follows: (1) integrated applications, (2) configurable reports, (3) custom reports, (4) custom forms, (5) interoperability, (6) coding systems, (7) authentication methods, (8) patient portal, (9) access control model, (10) cryptographic features, (11) flexible data model, (12) offline support, (13) native client, (14) Web client,(15) other clients, (16) code

Does the relativity principle violate?

International Nuclear Information System (INIS)

Barashenkov, V.S.

1994-01-01

Theoretical and experimental data about a possible existence in Nature of some preferred reference frame with a violation of the principle of relativity are considered. The Einstein's and Lorentz's points of view are compared. Although some experiments are known which, in opinion of their authors, indicate the relativity principle violation persuasive evidences supporting this conclusion are absent for the present. The proposals of new experiments in this region, particularly with electron spin precession, are discussed. 55 refs., 4 figs

Structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 phases from first-principles calculations

Science.gov (United States)

Li, X. D.; Li, K.; Wei, C. H.; Han, W. D.; Zhou, N. G.

2018-06-01

The structural, electronic, elastic, and thermodynamic properties of CaSi, Ca2Si, and CaSi2 are systematically investigated by using first-principles calculations method based on density functional theory (DFT). The calculated formation enthalpies and cohesive energies show that CaSi2 possesses the greatest structural stability and CaSi has the strongest alloying ability. The structural stability of the three phases is compared according to electronic structures. Further analysis on electronic structures indicates that the bonding of these phases exhibits the combinations of metallic, covalent, and ionic bonds. The elastic constants are calculated, and the bulk modulus, shear modulus, Young's modulus, Poisson's ratio, and anisotropy factor of polycrystalline materials are deduced. Additionally, the thermodynamic properties were theoretically predicted and discussed.

The electronic structure and ferromagnetism of TM (TM=V, Cr, and Mn)-doped BN(5, 5) nanotube: A first-principles study

International Nuclear Information System (INIS)

He, K.H.; Zheng, G.; Chen, G.; Wan, M.; Ji, G.F.

2008-01-01

We study the electronic structure and ferromagnetism of V-, Cr-, and Mn-doped single-wall BN(5, 5) nanotube by using polarized spin calculations within first principles. The optimized structures show that the transition-metal atoms move outwards and the calculated electronic properties demonstrate that the isolated V-, Cr-, and Mn-doped BN(5, 5) nanotubes show half-metallicity. The total ferromagnetic moments are 2μ B , 3.02μ B , and 3.98μ B for V-, Cr-, and Mn-doped BN(5, 5), respectively. The study suggests that such transition-metal (TM)-doped nanotubes may be useful in spintronics and nanomagnets

Effect of point defects on the electronic density states of SnC nanosheets: First-principles calculations

Directory of Open Access Journals (Sweden)

Soleyman Majidi

Full Text Available In this work, we investigated the electronic and structural properties of various defects including single Sn and C vacancies, double vacancy of the Sn and C atoms, anti-sites, position exchange and the Stone–Wales (SW defects in SnC nanosheets by using density-functional theory (DFT. We found that various vacancy defects in the SnC monolayer can change the electronic and structural properties. Our results show that the SnC is an indirect band gap compound, with the band gap of 2.10 eV. The system turns into metal for both structure of the single Sn and C vacancies. However, for the double vacancy contained Sn and C atoms, the structure remains semiconductor with the direct band gap of 0.37 eV at the G point. We also found that for anti-site defects, the structure remains semiconductor and for the exchange defect, the structure becomes indirect semiconductor with the K-G point and the band gap of 0.74 eV. Finally, the structure of SW defect remains semiconductor with the direct band gap at K point with band gap of 0.54 eV. Keywords: SnC nanosheets, Density-functional theory, First-principles calculations, Electronic density of states, Band gap

Magnetic and electronic properties of Cu1-xFexO from first principles calculations

KAUST Repository

Yang, Hua; Cheng, Yingchun; Chen, Guifeng; Mi, Wenbo; Bai, Haili

2013-01-01

Magnetic and electronic properties of Cu1-xFexO systems with x = 6.25% and 12.5% have been investigated using first principles calculations. The ground state of CuO is an antiferromagnetic insulator. At x = 6.25%, Cu1-xFexO systems with Fe on 2 and 4 substitution positions are half-metallic due to the strong hybridization among Fe, the nearest O and Cu atoms, which may come from the double exchange coupling between Fe2+-O2--Cu2+. At x = 12.5%, Cu 1-xFexO system with Fe on 9-11 position has a strong spin polarization near the Fermi level and the system energy is lowest when the doped two Fe atoms form ferromagnetic configuration. This indicates the two doped Fe atoms prefer to form ferromagnetic configuration in Fe2+-O 2--Cu2+-O2--Fe2+ chains. While in the Fe on 7-11 position, the spin-down Fe-11 3d states have a large spin polarization near the Fermi level when the two doped Fe atoms form antiferromagnetic configuration. It is concluded that the transition metal doping can modify the magnetism and electronic structures of Cu 1-xFexO systems. This journal is © The Royal Society of Chemistry 2013.

Electronic Topological Transitions in CuNiMnAl and CuNiMnSn under pressure from first principles study

Science.gov (United States)

Rambabu, P.; Kanchana, V.

2018-06-01

A detailed study on quaternary ordered full Heusler alloys CuNiMnAl and CuNiMnSn at ambient and under different compressions is presented using first principles electronic structure calculations. Both the compounds are found to possess ferromagnetic nature at ambient with magnetic moment of Mn being 3.14 μB and 3.35 μB respectively in CuNiMnAl and CuNiMnSn. The total magnetic moment for both the compounds is found to decrease under compression. Fermi surface (FS) topology change is observed in both compounds under pressure at V/V0 = 0.90, further leading to Electronic Topological Transitions (ETTs) and is evidenced by the anomalies visualized in density of states and elastic constants under compression.

Hydropower vs. fisheries conservation: a test of institutional design principles for common-pool resource management in the lower Mekong basin social-ecological system

Directory of Open Access Journals (Sweden)

Sergio Villamayor-Tomas

2016-03-01

Full Text Available New methods have emerged for testing common-pool resource theory in large-scale environmental governance contexts. We aim to contribute to that scholarship by assessing the relevance of Elinor Ostrom's design principles in the lower Mekong basin (LMB. The recent dam-building trend in the LMB has revealed a trade-off between hydropower development and the conservation of migratory fish species. The need to internalize or avoid the negative externalities of hydropower dam construction poses a new challenge to the LMB governance system and its main management body, the Mekong River Commission. Our objective was to explain the emergence of the trade-off and the capacity of the governance system to address it. Elinor Ostrom's design principles and other variables provided by the Socio-ecological Systems Meta-analysis Database were first coded with regard to secondary data and then tested against the capacity for cooperation of the LMB governance system. The lack of sanctioning despite a strong monitoring system, and the existence of fuzzy governance boundaries in the context of a powerful outsider like China, were particularly relevant to understanding the current cooperation stalemate in the basin. Other variables such as scientific knowledge, triggering events, markets, resource spatial heterogeneity, and heterogeneity of interests were also relevant.

Evolutionary principles and their practical application

DEFF Research Database (Denmark)

Hendry, A. P.; Kinnison, M. T.; Heino, M.

2011-01-01

Evolutionary principles are now routinely incorporated into medicine and agriculture. Examples include the design of treatments that slow the evolution of resistance by weeds, pests, and pathogens, and the design of breeding programs that maximize crop yield or quality. Evolutionary principles...... are also increasingly incorporated into conservation biology, natural resource management, and environmental science. Examples include the protection of small and isolated populations from inbreeding depression, the identification of key traits involved in adaptation to climate change, the design...... of harvesting regimes that minimize unwanted life-history evolution, and the setting of conservation priorities based on populations, species, or communities that harbor the greatest evolutionary diversity and potential. The adoption of evolutionary principles has proceeded somewhat independently...

Principles of photonics

CERN Document Server

Liu, Jia-Ming

2016-01-01

With this self-contained and comprehensive text, students will gain a detailed understanding of the fundamental concepts and major principles of photonics. Assuming only a basic background in optics, readers are guided through key topics such as the nature of optical fields, the properties of optical materials, and the principles of major photonic functions regarding the generation, propagation, coupling, interference, amplification, modulation, and detection of optical waves or signals. Numerous examples and problems are provided throughout to enhance understanding, and a solutions manual containing detailed solutions and explanations is available online for instructors. This is the ideal resource for electrical engineering and physics undergraduates taking introductory, single-semester or single-quarter courses in photonics, providing them with the knowledge and skills needed to progress to more advanced courses on photonic devices, systems and applications.

On Anaphora and the Binding Principles in Categorial Grammar

Science.gov (United States)

Morrill, Glyn; Valentín, Oriol

In type logical categorial grammar the analysis of an expression is a resource-conscious proof. Anaphora represents a particular challenge to this approach in that the antecedent resource is multiplied in the semantics. This duplication, which corresponds logically to the structural rule of contraction, may be treated lexically or syntactically. Furthermore, anaphora is subject to constraints, which Chomsky (1981) formulated as Binding Principles A, B, and C. In this paper we consider English anaphora in categorial grammar including reference to the binding principles. We invoke displacement calculus, modal categorial calculus, categorial calculus with limited contraction, and entertain addition of negation as failure.

Evaluation of three electronic report processing systems for preparing hydrologic reports of the U.S Geological Survey, Water Resources Division

Science.gov (United States)

Stiltner, G.J.

1990-01-01

In 1987, the Water Resources Division of the U.S. Geological Survey undertook three pilot projects to evaluate electronic report processing systems as a means to improve the quality and timeliness of reports pertaining to water resources investigations. The three projects selected for study included the use of the following configuration of software and hardware: Ventura Publisher software on an IBM model AT personal computer, PageMaker software on a Macintosh computer, and FrameMaker software on a Sun Microsystems workstation. The following assessment criteria were to be addressed in the pilot studies: The combined use of text, tables, and graphics; analysis of time; ease of learning; compatibility with the existing minicomputer system; and technical limitations. It was considered essential that the camera-ready copy produced be in a format suitable for publication. Visual improvement alone was not a consideration. This report consolidates and summarizes the findings of the electronic report processing pilot projects. Text and table files originating on the existing minicomputer system were successfully transformed to the electronic report processing systems in American Standard Code for Information Interchange (ASCII) format. Graphics prepared using a proprietary graphics software package were transferred to all the electronic report processing software through the use of Computer Graphic Metafiles. Graphics from other sources were entered into the systems by scanning paper images. Comparative analysis of time needed to process text and tables by the electronic report processing systems and by conventional methods indicated that, although more time is invested in creating the original page composition for an electronically processed report , substantial time is saved in producing subsequent reports because the format can be stored and re-used by electronic means as a template. Because of the more compact page layouts, costs of printing the reports were 15% to 25

Search for Pauli exclusion principle violating atomic transitions and electron decay with a p-type point contact germanium detector

Energy Technology Data Exchange (ETDEWEB)

Abgrall, N.; Bradley, A.W.; Chan, Y.D.; Mertens, S.; Poon, A.W.P. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Arnquist, I.J.; Hoppe, E.W.; Kouzes, R.T.; LaFerriere, B.D.; Orrell, J.L. [Pacific Northwest National Laboratory, Richland, WA (United States); Avignone, F.T. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Barabash, A.S.; Konovalov, S.I.; Yumatov, V. [National Research Center ' ' Kurchatov Institute' ' Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Bertrand, F.E.; Galindo-Uribarri, A.; Radford, D.C.; Varner, R.L.; White, B.R.; Yu, C.H. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.; Zhitnikov, I. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Busch, M. [Duke University, Department of Physics, Durham, NC (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Buuck, M.; Cuesta, C.; Detwiler, J.A.; Gruszko, J.; Guinn, I.S.; Leon, J.; Robertson, R.G.H. [University of Washington, Department of Physics, Center for Experimental Nuclear Physics and Astrophysics, Seattle, WA (United States); Caldwell, A.S.; Christofferson, C.D.; Dunagan, C.; Howard, S.; Suriano, A.M. [South Dakota School of Mines and Technology, Rapid City, SD (United States); Chu, P.H.; Elliott, S.R.; Goett, J.; Massarczyk, R.; Rielage, K. [Los Alamos National Laboratory, Los Alamos, NM (United States); Efremenko, Yu. [University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Ejiri, H. [Osaka University, Research Center for Nuclear Physics, Ibaraki, Osaka (Japan); Finnerty, P.S.; Gilliss, T.; Giovanetti, G.K.; Henning, R.; Howe, M.A.; MacMullin, J.; Meijer, S.J.; O' Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J.E.; Vorren, K.; Xu, W. [Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States); Green, M.P. [North Carolina State University, Department of Physics, Raleigh, NC (United States); Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Guiseppe, V.E.; Tedeschi, D.; Wiseman, C. [University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Jasinski, B.R. [University of South Dakota, Department of Physics, Vermillion, SD (United States); Keeter, K.J. [Black Hills State University, Department of Physics, Spearfish, SD (United States); Kidd, M.F. [Tennessee Tech University, Cookeville, TN (United States); Martin, R.D. [Queen' s University, Department of Physics, Engineering Physics and Astronomy, Kingston, ON (Canada); Romero-Romero, E. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Vetter, K. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); University of California, Department of Nuclear Engineering, Berkeley, CA (United States); Wilkerson, J.F. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States)

2016-11-15

A search for Pauli-exclusion-principle-violating K{sub α} electron transitions was performed using 89.5 kg-d of data collected with a p-type point contact high-purity germanium detector operated at the Kimballton Underground Research Facility. A lower limit on the transition lifetime of 5.8 x 10{sup 30} s at 90% C.L. was set by looking for a peak at 10.6 keV resulting from the X-ray and Auger electrons present following the transition. A similar analysis was done to look for the decay of atomic K-shell electrons into neutrinos, resulting in a lower limit of 6.8 x 10{sup 30} s at 90% C.L. It is estimated that the Majorana Demonstrator, a 44 kg array of p-type point contact detectors that will search for the neutrinoless double-beta decay of {sup 76}Ge, could improve upon these exclusion limits by an order of magnitude after three years of operation. (orig.)

The structural, elastic, electronic and dynamical properties of chalcopyrite semiconductor BeGeAs{sub 2} from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Ciftci, Yasemin Oe. [Gazi University Teknikokullar, Department of Physics, Faculty of Sciences, Ankara (Turkey); Evecen, Meryem; Aldirmaz, Emine [Amasya University, Department of Physics, Faculty of Arts and Sciences, Amasya (Turkey)

2017-01-15

First-principles calculations for the structural, elastic, electronic and vibrational properties of BeGeAs{sub 2} with chalcopyrite structure have been reported in the frame work of the density functional theory. The calculated ground state properties are in good agreement with the available data. By considering the electronic band structure and electronic density of states calculation, it is found that this compound is a semiconductor which confirmed the previous work. Single-crystal elastic constants and related properties such as Young's modulus, Poisson ratio, shear modulus and bulk modulus have been predicted using the stress-finite strain technique. It can be seen from the calculated elastic constants that this compound is mechanically stable in the chalcopyrite structure. Pressure dependences of elastic constants and band gap are also reported. Finally, the phonon dispersion curves and total and partial density of states were calculated and discussed. The calculated phonon frequencies BeGeAs{sub 2} are positive, indicating the dynamical stability of the studied compound. (orig.)

First-principles study on electronic structures and magnetic properties of Eu-doped phosphorene

Science.gov (United States)

Luan, Zhaohui; Zhao, Lei; Chang, Hao; Sun, Dan; Tan, Changlong; Huang, Yuewu

2017-11-01

The structural, electronic and magnetic properties of Eu-doped phosphorene with different doping concentrations were investigated by first-principles calculations for the first time. The calculations show that Eu-doped phosphorene systems are stable and have the large magnetic moments of more than 6 μB by 2.7, 6.25 and 12.5 at.% doping concentrations. The major contribution to the magnetic moment stems from the 4f states of Eu-doped atom. Meanwhile, Eu-doped atom introduces the impurity bands which can be changed by different doping concentrations. In order to determine the magnetic interaction, the different configurations for two Eu atoms doping in 3 × 3 × 1 phosphorene supercell were studied, which reveals that all of the configurations tend to form ferromagnetic. These results can provide references for inducing large magnetism of two-dimensional phosphorene, which are valuable for their applications in spintronic devices and novel semiconductor materials.

Electronic and optical properties of bilayer PbI2: a first-principles study

Science.gov (United States)

Shen, Chenhai; Wang, Guangtao

2018-01-01

By employing first-principles methods, we investigate the effects of stacking patterns and interlayer coupling on the electronic structures and optical properties of bilayer (BL) PbI2. For optical properties, excitonic effects are considered. The results show that crystal-type BL PbI2 stacking pattern is the most stable bilayer structures with the equilibrium interlayer distance of 3.27 Å and a direct band structure. Moreover, for all considered patterns, the interlayer coupling can induce the band structures to transform from indirect to direct and also the band gap values to vary from 2.56 eV to 2.62 eV. In addition, our calculations show that the exciton binding energy of the most stable pattern is 0.81 eV, and excitonic effects have obvious influences on optical responses of BL PbI2. These results may be useful to future experimental studies on optoelectronic properties of two-dimensional BL PbI2 nanosheets.

A first principles study of adhesion and electronic structure at Fe (110)/graphite (0001) interface

Energy Technology Data Exchange (ETDEWEB)

Liu, Yangzhen; Xing, Jiandong; Li, Yefei, E-mail: yefeili@126.com; Sun, Liang; Wang, Yong

2017-05-31

Highlights: • The surface energy of graphite (0001) and Fe (110) has been calculated and the number of layers of graphite slab and Fe slab has been estimated. • The work of adhesion of Fe (110)/graphite (0001) interface with different interfacial separation d{sub 0} (1.7–3 Å) has been systematically discussed. • The total electron density and electron density difference of Fe (110)/graphite (0001) are used to study the bonding characteristics. • The Interfacial energy and fracture toughness of Fe (110)/graphite (0001) are estimated. - Abstract: Using first–principles calculations, we discuss the bulk properties of bcc Fe and graphite and that of the surface, the work of adhesion, and the electronic structure of Fe (110)/graphite (0001) interface. In this study, the experimental results of the bulk properties of bcc Fe and graphite reveal that our adopted parameters are reliable. Moreover, the results of surface energy demonstrate that nine atomic layers of graphite (0001) and five atomic layers of Fe (110) exhibit bulk–like interiors. The lattice mismatch of Fe (110)/graphite (0001) interface is about 6%. The results also exhibit that the Fe atom residing on top of the second layer of graphite slab (HCP structure) is the preferred stacking sequence. The work of adhesion (W{sub ad}) of the optimized Fe/graphite interface of HCP structure is 1.36 J/m{sup 2}. Electronic structures indicate that the bonding characteristics are a mixture of covalent and ionic bonds in the HCP interface. Moreover, the magnetic moment of atoms at the interface was studied using the spin polarized density of states.

Structural stabilities and electronic properties of Mg28-nAln clusters: A first-principles study

Directory of Open Access Journals (Sweden)

Bao-Juan Lu

2017-09-01

Full Text Available In this paper, we have constructed the alloy configurations of Mg28-nAln by replacing atoms at various possible positions, starting from the stable structures of Mg28 and Al28 clusters. According to the symmetry of the cluster structure, the isomers of these initial structures have been screened with the congruence check, which would reduce computational hours and improve efficiency. Using the first-principles method, the structural evolution, mixing behavior and electronic properties of Mg28-nAln clusters are investigated for all compositions. We conclude that Al atoms prefer to reside in the central positions of Mg−Al clusters and Mg atoms tend to occupy the peripheral location. The negative mixing enthalpies imply the stabilities of these Mg-Al clusters and thus possible applications in catalysis and hydrogen storage materials. Among Mg28-nAln clusters, Mg24Al4, Mg21Al7, Mg14Al14, Mg26Al2 and Mg27Al1 present relatively high thermodynamic stabilities, and the electronic properties of these stable structures are discussed with the charge distributions around the Fermi level.

Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations

Science.gov (United States)

Zhang, Yu; Tang, Fu-Ling; Xue, Hong-Tao; Lu, Wen-Jiang; Liu, Jiang-Fei; Huang, Min

2015-02-01

Using first-principles plane-wave calculations within density functional theory, we theoretically studied the atomic structure, bonding energy and electronic properties of the perfect Mo (110)/MoSe2 (100) interface with a lattice mismatch less than 4.2%. Compared with the perfect structure, the interface is somewhat relaxed, and its atomic positions and bond lengths change slightly. The calculated interface bonding energy is about -1.2 J/m2, indicating that this interface is very stable. The MoSe2 layer on the interface has some interface states near the Fermi level, the interface states are mainly caused by Mo 4d orbitals, while the Se atom almost have no contribution. On the interface, Mo-5s and Se-4p orbitals hybridize at about -6.5 to -5.0 eV, and Mo-4d and Se-4p orbitals hybridize at about -5.0 to -1.0 eV. These hybridizations greatly improve the bonding ability of Mo and Se atom in the interface. By Bader charge analysis, we find electron redistribution near the interface which promotes the bonding of the Mo and MoSe2 layer.

Interfacial bonding and electronic structure of GaN/GaAs interface: A first-principles study

International Nuclear Information System (INIS)

Cao, Ruyue; Zhang, Zhaofu; Wang, Changhong; Li, Haobo; Dong, Hong; Liu, Hui; Wang, Weichao; Xie, Xinjian

2015-01-01

Understanding of GaN interfacing with GaAs is crucial for GaN to be an effective interfacial layer between high-k oxides and III-V materials with the application in high-mobility metal-oxide-semiconductor field effect transistor (MOSFET) devices. Utilizing first principles calculations, here, we investigate the structural and electronic properties of the GaN/GaAs interface with respect to the interfacial nitrogen contents. The decrease of interfacial N contents leads to more Ga dangling bonds and As-As dimers. At the N-rich limit, the interface with N concentration of 87.5% shows the most stability. Furthermore, a strong band offsets dependence on the interfacial N concentration is also observed. The valance band offset of N7 with hybrid functional calculation is 0.51 eV. The electronic structure analysis shows that significant interface states exist in all the GaN/GaAs models with various N contents, which originate from the interfacial dangling bonds and some unsaturated Ga and N atoms. These large amounts of gap states result in Fermi level pinning and essentially degrade the device performance

Merit in Principle, Merit in Practice: An Investigation into Merit-based Human Resources Management Through the Lens of Title 5-exempt Federal Organizations

OpenAIRE

Woodard, Colleen A.

2000-01-01

This dissertation research investigates whether merit-based principles and practices are embedded into the HRM systems of 19 Title 5-exempt federal organizations. Title 5-exempt organizations, such as government corporations, serve as a vehicle for exploring the question of what constitutes merit in more loosely regulated public environments. This research fills a void in the discussion about how we can sustain a merit foundation in deregulated and decentralized federal human resources syste...

Use and User Perception of Electronic Information Resources: A Case Study of Siva Institute of Frontier Technology, India

Directory of Open Access Journals (Sweden)

Velmurugan Chandran

2013-12-01

Full Text Available The present study aims to explore the use and user perception of electronic resources in Siva Institute of Frontier Technology, India. A total number of 123 users were taken into account for the study through a questionnaire-based survey method. A well-structured questionnaire was designed and distributed to the selected 200 students and staff members. 123 copies of the questionnaires were returned dully filled in and the overall response rate was 61.50 percent. The questionnaire contained both open- and close-ended questions. The collected data were classified, analyzed, and tabulated by using simple statistical methods. This study covers the impact of electronic resources on students and faculty in their academic pursuit.

A preliminary categorization of end-of-life electrical and electronic equipment as secondary metal resources

International Nuclear Information System (INIS)

Oguchi, Masahiro; Murakami, Shinsuke; Sakanakura, Hirofumi; Kida, Akiko; Kameya, Takashi

2011-01-01

Highlights: → End-of-life electrical and electronic equipment (EEE) as secondary metal resources. → The content and the total amount of metals in specific equipment are both important. → We categorized 21 EEE types from contents and total amounts of various metals. → Important equipment types as secondary resources were listed for each metal kind. → Collectability and possible collection systems of various EEE types were discussed. - Abstract: End-of-life electrical and electronic equipment (EEE) has recently received attention as a secondary source of metals. This study examined characteristics of end-of-life EEE as secondary metal resources to consider efficient collection and metal recovery systems according to the specific metals and types of EEE. We constructed an analogy between natural resource development and metal recovery from end-of-life EEE and found that metal content and total annual amount of metal contained in each type of end-of-life EEE should be considered in secondary resource development, as well as the collectability of the end-of-life products. We then categorized 21 EEE types into five groups and discussed their potential as secondary metal resources. Refrigerators, washing machines, air conditioners, and CRT TVs were evaluated as the most important sources of common metals, and personal computers, mobile phones, and video games were evaluated as the most important sources of precious metals. Several types of small digital equipment were also identified as important sources of precious metals; however, mid-size information and communication technology (ICT) equipment (e.g., printers and fax machines) and audio/video equipment were shown to be more important as a source of a variety of less common metals. The physical collectability of each type of EEE was roughly characterized by unit size and number of end-of-life products generated annually. Current collection systems in Japan were examined and potentially appropriate collection

Implantable medical electronics prosthetics, drug delivery, and health monitoring

CERN Document Server

Khanna, Vinod Kumar

2016-01-01

This book is a comprehensive, interdisciplinary resource for the latest information on implantable medical devices, and is intended for graduate students studying electrical engineering, electronic instrumentation, and biomedical engineering. It is also appropriate for academic researchers, professional engineers, practicing doctors, and paramedical staff. Divided into two sections on Basic Concepts and Principles, and Applications, the first section provides an all-embracing perspective of the electronics background necessary for this work. The second section deals with pacing techniques used for the heart, brain, spinal cord, and the network of nerves that interlink the brain and spinal cord with the major organs, including ear and eye prostheses. The four main offshoots of implantable electronics, which this book discusses, are: The insertion of an implantable neural amplifier for accurate recording of neural signals for neuroengineering studies The use of implantable pulse generators for pacing the activi...

Digital Learning Characteristics and Principles of Information Resources Knowledge Structuring

Science.gov (United States)

Belichenko, Margarita; Davidovitch, Nitza; Kravchenko, Yuri

2017-01-01

Analysis of principles knowledge representation in information systems led to the necessity of improving the structuring knowledge. It is caused by the development of software component and new possibilities of information technologies. The article combines methodological aspects of structuring knowledge and effective usage of information…

Students developing resources for students.

Science.gov (United States)

Pearce, Michael; Evans, Darrell

2012-06-01

The development of new technologies has provided medical education with the ability to enhance the student learning experience and meet the needs of changing curricula. Students quickly adapt to using multimedia learning resources, but these need to be well designed, learner-centred and interactive for students to become significantly engaged. One way to ensure that students become committed users and that resources become distinct elements of the learning cycle is to involve students in resource design and production. Such an approach enables resources to accommodate student needs and preferences, but also provides opportunities for them to develop their own teaching and training skills. The aim of the medical student research project was to design and produce an electronic resource that was focused on a particular anatomical region. The views of other medical students were used to decide what features were suitable for inclusion and the resulting package contained basic principles and clinical relevance, and used a variety of approaches such as images of cadaveric material, living anatomy movies and quizzes. The completed package was assessed using a survey matrix and found to compare well with commercially available products. Given the ever-diversifying arena of multimedia instruction and the ability of students to be fully conversant with technology, this project demonstrates that students are ideal participants and creators of multimedia resources. It is hoped that such an approach will help to further develop the skill base of students, but will also provide an avenue of developing packages that are student user friendly, and that are focused towards particular curricula requirements. © Blackwell Publishing Ltd 2012.

Electronic and magnetic properties of Fe-, Co-, and Ni-decorated BC3: A first-principles study

Science.gov (United States)

Zhu, Jingzhong; Zhao, Yinchang; Zulfiqar, Muhammad; Zeng, Shuming; Ni, Jun

2018-05-01

The electronic and magnetic properties of Fe-, Co-, and Ni-decorated two dimensional (2D) BC3 are systematically investigated by first-principles calculations. We find that the Fe, Co, and Ni atoms can be strongly adsorbed on the hollow sites of 2D BC3. Fe and Co adatoms are more stable when adsorbed on the hollow sites of the carbon rings in the 2D BC3, while the hollow sites of boron-carbon rings in the 2D BC3 are the most stable sites for the adsorption of Ni adatoms. These proposed metal-BC3 complexes exhibit interesting electronic and magnetic behaviors. In particular, the Fe-BC3 and Co-BC3 complexes are metals with magnetic ground states , while the Ni-BC3 complex behaves as a nonmagnetic semiconductor with a direct bandgap. Furthermore, our magnetic analysis reveals that induced magnetism in the Fe-BC3 and Co-BC3 complexes arises from their local magnetic moments. Functionalization of 2D BC3 through these metal-adatom adsorption appears to be a promising way to extend its applications.

Numerical simulation of conjugate heat transfer in electronic cooling and analysis based on field synergy principle

International Nuclear Information System (INIS)

Cheng, Y.P.; Lee, T.S.; Low, H.T.

2008-01-01

In this paper, the conjugate heat transfer in electronic cooling is numerically simulated with the newly proposed algorithm CLEARER on collocated grid. Because the solid heat source and substrate are isolated from the boundary, special attention is given to deal with the velocity and temperature in the solid region in the full field computation. The influence of openings on the substrate, heat source height and their distribution along the substrate on the maximum temperature and overall Nusselt number is investigated. The numerical results show that the openings on the substrate can enhance the heat transfer as well as increasing the heat source height, meanwhile, by arranging the heat sources coarsely in the front part and densely in the rear part of the substrate, the thermal performance can also be increased. Then the results are analyzed from the viewpoint of field synergy principle, and it is shown that the heat transfer improvement can all be attributed to the better synergy between the velocity field and temperature field, which may offer some guidance in the design of electronic devices

Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol.

Science.gov (United States)

Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan

2015-08-11

First-principles simulations of two-dimensional electronic spectroscopy in the ultraviolet region (2DUV) require computationally demanding multiconfigurational approaches that can resolve doubly excited and charge transfer states, the spectroscopic fingerprints of coupled UV-active chromophores. Here, we propose an efficient approach to reduce the computational cost of accurate simulations of 2DUV spectra of benzene, phenol, and their dimer (i.e., the minimal models for studying electronic coupling of UV-chromophores in proteins). We first establish the multiconfigurational recipe with the highest accuracy by comparison with experimental data, providing reference gas-phase transition energies and dipole moments that can be used to construct exciton Hamiltonians involving high-lying excited states. We show that by reducing the active spaces and the number of configuration state functions within restricted active space schemes, the computational cost can be significantly decreased without loss of accuracy in predicting 2DUV spectra. The proposed recipe has been successfully tested on a realistic model proteic system in water. Accounting for line broadening due to thermal and solvent-induced fluctuations allows for direct comparison with experiments.

Mechanical, electronic, chemical bonding and optical properties of cubic BaHfO3: First-principles calculations

International Nuclear Information System (INIS)

Liu Qijun; Liu Zhengtang; Feng Liping; Tian Hao

2010-01-01

We have performed ab-initio total energy calculations using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT) to study structural parameters, mechanical, electronic, chemical bonding and optical properties of cubic BaHfO 3 . The calculated lattice parameter and independent elastic constants are in good agreement with previous theoretical and experimental work. The bulk, shear and Young's modulus, Poisson coefficient, compressibility and Lame constants are obtained using Voigt-Reuss-Hill method and the Debye temperature is estimated using Debye-Grueneisen model, which are consistent with previous results. Electronic and chemical bonding properties have been studied from the calculations of band structure, density of states and charge densities. Furthermore, in order to clarify the mechanism of optical transitions of cubic BaHfO 3 , the complex dielectric function, refractive index, extinction coefficient, reflectivity, absorption efficient, loss function and complex conductivity function are calculated. Then, we have explained the origins of spectral peaks on the basis of the theory of crystal-field and molecular-orbital bonding.

The Oscillator Principle of Nature

DEFF Research Database (Denmark)

Lindberg, Erik

2012-01-01

Oscillators are found on all levels in Nature. The general oscillator concept is defined and investigated. Oscillators may synchronize into fractal patterns. Apparently oscillators are the basic principle in Nature. The concepts of zero and infinite are discussed. Electronic manmade oscillators...

Role of anion doping on electronic structure and magnetism of GdN by first principles calculations

KAUST Repository

Zhang, Xuejing; Mi, Wenbo; Guo, Zaibing; Cheng, Yingchun; Chen, Guifeng; Bai, Haili

2014-01-01

We have investigated the electronic structure and magnetism of anion doped GdN1-yXy (X = B, C, O, F, P, S and As) systems by first-principles calculations based on density functional theory. GdN 1-yXy systems doped by O, C, F, P, and S atoms are more stable than those doped by B and As atoms because of relatively high binding energies. The anion doping and the N defect states modify the density of states at the Fermi level, resulting in a decrease in spin polarization and a slight increase in the magnetic moment at the Gd and N sites. © 2014 The Royal Society of Chemistry.

The ′Adat′ institution and the Management of Grand Forest ′Herman Yohannes′ in Indonesian Timor: The Role of Design Principles for Sustainable Management of Common Pool Resources

Directory of Open Access Journals (Sweden)

Jacko A van Ast

2014-01-01

Full Text Available Local success stories of sustainable forest management can inspire scientists and decision-makers. This article analyses the traditional ′Adat′ institution that plays a role in the management of Grand Forest Park ′Herman Yohannes′, in the Western part of Timor where the Adat forest management regulation has been formally restored. The original set of design principles for sustainable management of common pool resources of Elinor Ostrom (1990 has been used in this study as an analytical framework for understanding the role of the Adat institution in respect to the forest. In the park, the local community applies Adat for protection and management of the forest that has been its home for centuries. It appears that Ostrom′s design principles can be identified in the current Adat institution and play a role in the sustainable management of the forest. Although many other variables can lead to success or failure of institutions, the original (internal design principles are still valuable as a practical tool for building institutions that are - under certain conditions - able to sustain common pool resources. The findings confirm the importance of traditional institutions in successful forest management. The study recommends that decision-makers take into account existing traditional management systems that have shown long term functionality.

Polarized electron sources

Energy Technology Data Exchange (ETDEWEB)

Prepost, R. [Univ. of Wisconsin, Madison, WI (United States)

1994-12-01

The fundamentals of polarized electron sources are described with particular application to the Stanford Linear Accelerator Center. The SLAC polarized electron source is based on the principle of polarized photoemission from Gallium Arsenide. Recent developments using epitaxially grown, strained Gallium Arsenide cathodes have made it possible to obtain electron polarization significantly in excess of the conventional 50% polarization limit. The basic principles for Gallium and Arsenide polarized photoemitters are reviewed, and the extension of the basic technique to strained cathode structures is described. Results from laboratory measurements of strained photocathodes as well as operational results from the SLAC polarized source are presented.

Polarized electron sources

International Nuclear Information System (INIS)

Prepost, R.

1994-01-01

The fundamentals of polarized electron sources are described with particular application to the Stanford Linear Accelerator Center. The SLAC polarized electron source is based on the principle of polarized photoemission from Gallium Arsenide. Recent developments using epitaxially grown, strained Gallium Arsenide cathodes have made it possible to obtain electron polarization significantly in excess of the conventional 50% polarization limit. The basic principles for Gallium and Arsenide polarized photoemitters are reviewed, and the extension of the basic technique to strained cathode structures is described. Results from laboratory measurements of strained photocathodes as well as operational results from the SLAC polarized source are presented

From Millennium ERM to Proquest 360 Resource Manager: Implementing a new Electronic Resources Management System ERMS in an International Graduate Research University in Saudi Arabia

KAUST Repository

Ramli, Rindra M.

2017-05-17

An overview of the Recommendation Study and the subsequent Implementation of a new Electronic Resources Management system ERMS in an international graduate research university in the Kingdom of Saudi Arabia. It covers the timeline, deliverables and challenges as well as lessons learnt by the Project Team.

78 FR 18562 - Economic and Environmental Principles and Guidelines for Water and Related Land Resources...

Science.gov (United States)

2013-03-27

... COUNCIL ON ENVIRONMENTAL QUALITY Economic and Environmental Principles and Guidelines for Water... the Army to revise the ``Economic and Environmental Principles and Guidelines for Water and Related... Army to revise the ``Economic and Environmental Principles and Guidelines for Water and Related Land...

78 FR 31521 - Economic and Environmental Principles and Guidelines for Water and Related Land Resources...

Science.gov (United States)

2013-05-24

... COUNCIL ON ENVIRONMENTAL QUALITY Economic and Environmental Principles and Guidelines for Water... the Army to revise the ``Economic and Environmental Principles and Guidelines for Water and Related.... L. 110-114) directed the Secretary of the Army to revise the ``Economic and Environmental Principles...

The Synthesis of the Hierarchical Structure of Information Resources for Management of Electronic Commerce Entities

Directory of Open Access Journals (Sweden)

Krutova Anzhelika S.

2017-06-01

Full Text Available The aim of the article is to develop the theoretical bases for the classification and coding of economic information and the scientific justification of the content of information resources of an electronic commerce enterprise. The essence of information resources for management of electronic business entities is investigated. It is proved that the organization of accounting in e-commerce systems is advisable to be built on the basis of two circuits: accounting for financial flows and accounting associated with transformation of business factors in products and services as a result of production activities. There presented a sequence of accounting organization that allows to combine the both circuits in a single information system, which provides a possibility for the integrated replenishment and distributed simultaneous use of the e-commerce system by all groups of users. It is proved that the guarantee of efficient activity of the information management system of electronic commerce entities is a proper systematization of the aggregate of information resources on economic facts and operations of an enterprise in accordance with the management tasks by building the hierarchy of accounting nomenclatures. It is suggested to understand nomenclature as an objective, primary information aggregate concerning a certain fact of the economic activity of an enterprise, which is characterized by minimum requisites, is entered into the database of the information system and is to be reflected in the accounting system. It is proposed to build a database of e-commerce systems as a part of directories (constants, personnel, goods / products, suppliers, buyers and the hierarchy of accounting nomenclatures. The package of documents regulating the organization of accounting at an enterprise should include: the provision on the accounting services, the order on the accounting policy, the job descriptions, the schedules of information exchange, the report card and

Industrial instrumentation principles and design

CERN Document Server

Padmanabhan, Tattamangalam R

2000-01-01

Pneumatic, hydraulic and allied instrumentation schemes have given way to electronic schemes in recent years thanks to the rapid strides in electronics and allied areas. Principles, design and applications of such state-of-the-art instrumentation schemes form the subject matter of this book. Through representative examples, the basic building blocks of instrumentation schemes are identified and each of these building blocks discussed in terms of its design and interface characteristics. The common generic schemes synthesized with such building blocks are dealt with subsequently. This forms the scope of Part I. The focus in Part II is on application. Displacement and allied instrumentation, force and allied instrumentation and process instrumentation in terms of temperature, flow, pressure level and other common process variables are dealt with separately and exhaustively. Despite the diversity in the sensor principles and characteristics and the variety in the applications and their environments, it is possib...

Structural, electronic, and vibrational properties of high-density amorphous silicon: a first-principles molecular-dynamics study.

Science.gov (United States)

Morishita, Tetsuya

2009-05-21

We report a first-principles study of the structural, electronic, and dynamical properties of high-density amorphous (HDA) silicon, which was found to be formed by pressurizing low-density amorphous (LDA) silicon (a normal amorphous Si) [T. Morishita, Phys. Rev. Lett. 93, 055503 (2004); P. F. McMillan, M. Wilson, D. Daisenberger, and D. Machon, Nature Mater. 4, 680 (2005)]. Striking structural differences between HDA and LDA are revealed. The LDA structure holds a tetrahedral network, while the HDA structure contains a highly distorted tetrahedral network. The fifth neighboring atom in HDA tends to be located at an interstitial position of a distorted tetrahedron composed of the first four neighboring atoms. Consequently, the coordination number of HDA is calculated to be approximately 5 unlike that of LDA. The electronic density of state (EDOS) shows that HDA is metallic, which is consistent with a recent experimental measurement of the electronic resistance of HDA Si. We find from local EDOS that highly distorted tetrahedral configurations enhance the metallic nature of HDA. The vibrational density of state (VDOS) also reflects the structural differences between HDA and LDA. Some of the characteristic vibrational modes of LDA are dematerialized in HDA, indicating the degradation of covalent bonds. The overall profile of the VDOS for HDA is found to be an intermediate between that for LDA and liquid Si under pressure (high-density liquid Si).

First-principle calculations on the structural and electronic properties of hard C11N4

International Nuclear Information System (INIS)

Li, Dongxu; Shi, Jiancheng; Lai, Mengling; Li, Rongkai; Yu, Dongli

2014-01-01

A graphite-like C 11 N 4 model was built by stacking graphene and a C 3 N 4 triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C 11 N 4 is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C 11 N 4 was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C 11 N 4 is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy

Reaction networks as systems for resource allocation: a variational principle for their non-equilibrium steady states.

Directory of Open Access Journals (Sweden)

Andrea De Martino

Full Text Available Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at stationarity the system minimizes a global function of the reaction fluxes with the form of a Hopfield Hamiltonian with hebbian couplings, that is explicitly seen to correspond to the rate of decay of entropy production over time. Guided by this analogy, we show that reaction networks can be formally re-cast as systems of interacting reactions that optimize the use of the available compounds by competing for substrates, akin to agents competing for a limited resource in an optimal allocation problem. As an illustration, we analyze the scenario that emerges in two simple cases: that of toy (random reaction networks and that of a metabolic network model of the human red blood cell.

Formation and development of theoretical principles for mineral resources logistics

Directory of Open Access Journals (Sweden)

Б. К. Плоткин

2017-03-01

Full Text Available Market transformations in Russia became foundations for formation and development of a new scientific and practical field in economics – logistics. Out of more than 30 existing definitions of logistics the authors according to their opinion have chosen the most appropriate. Logistics of mineral resources should be attributed to production (industrial logistics. It is a proven fact that processes of supply chain management in mining industry and its infrastructure in the framework of mineral resources chain have some fundamental distinctions. Importance of material resources recycling in theory and practice of mineral resources logistics has been highlighted. Special features of merchandise assortment and classifications in the mining industry have been examined in conjunction with substantial contents of material flow. Special consideration has been given to relevant issues in the field of price formation for mining produce, in the view of specific relations between its costs and logistic procurement of the industry. Moreover, questions of inventory control in the mining industry, activity of commodity exchanges, management of mining logistics system have been addressed.

Controlling user access to electronic resources without password

Science.gov (United States)

Smith, Fred Hewitt

2015-06-16

Described herein are devices and techniques for remotely controlling user access to a restricted computer resource. The process includes pre-determining an association of the restricted computer resource and computer-resource-proximal environmental information. Indicia of user-proximal environmental information are received from a user requesting access to the restricted computer resource. Received indicia of user-proximal environmental information are compared to associated computer-resource-proximal environmental information. User access to the restricted computer resource is selectively granted responsive to a favorable comparison in which the user-proximal environmental information is sufficiently similar to the computer-resource proximal environmental information. In at least some embodiments, the process further includes comparing user-supplied biometric measure and comparing it with a predetermined association of at least one biometric measure of an authorized user. Access to the restricted computer resource is granted in response to a favorable comparison.

Principles of Atomic Structure and the Valence Electron Configurations of the Transition Elements%原子构造原理与过渡元素原子的价电子组态

Institute of Scientific and Technical Information of China (English)

刘承东

2001-01-01

According to the Aufbau build-up principle and the order of filling atomic orbits, the valence electron configuration of ground state atoms of the d-block transition elements seems only to be (n-1) dx-2ns2(x here denotes the number of the electron in (n-1) d and ns orbits). But the result of the spectra test shows that the atomic electron structure of the d-block transition elements also has the configurations (n-1) dx-1 ns1 and (n-1) dx nso. These two types of electron configurations are usually considered as "out of the ordinary". In addition, the another important phenomenon is that the electronic structure of the atoms for all of the elements can not attain the configuration (n-1)d6 ns1. The reasons why these exceptional electron configurations can be formed and why the configuration (n-1) d 6 ns1 can not exist are not properly understood and at present no theory of the many-electron atom structure is entirely satisfactory[1-7]. For this, it seems that the theoretical difficulty lies in accounting for the diversification of electron configurations and for the non-existence of configuration (n-1) d6 ns1 as we did not pay more attention to the control effect of symmetry principle in atom structure. We know that the stability of a mass system depends on the mechanics conservation law in the system and each conservation law is always relative to the invariance of the certain symmetry. In atom structure, the main interaction is the electromagnetic interaction. So the stability of atom structure system must be bounded up with the symmetry of the electromagnetic interaction in the atom system. The direct expression of this interconnection is that,when the electrons are allotted to the orbits with energy equivalent or close to one another in many-electron atoms, they would always distribute themselves in such a way that there is a relative highest symmetry configuration. That is to say, the way of the distribution of electrons(include electron spin states) in orbits is

Electronic theses and dissertations: a review of this valuable resource for nurse scholars worldwide.

Science.gov (United States)

Goodfellow, L M

2009-06-01

A worldwide repository of electronic theses and dissertations (ETDs) could provide worldwide access to the most up-to-date research generated by masters and doctoral students. Until that international repository is established, it is possible to access some of these valuable knowledge resources. ETDs provide a technologically advanced medium with endless multimedia capabilities that far exceed the print and bound copies of theses and dissertations housed traditionally in individual university libraries. CURRENT USE: A growing trend exists for universities worldwide to require graduate students to submit theses or dissertations as electronic documents. However, nurse scholars underutilize ETDs, as evidenced by perusing bibliographic citation lists in many of the research journals. ETDs can be searched for and retrieved through several digital resources such as the Networked Digital Library of Theses and Dissertations (http://www.ndltd.org), ProQuest Dissertations and Theses (http://www.umi.com), the Australasian Digital Theses Program (http://adt.caul.edu.au/) and through individual university web sites and online catalogues. An international repository of ETDs benefits the community of nurse scholars in many ways. The ability to access recent graduate students' research electronically from anywhere in the world is advantageous. For scholars residing in developing countries, access to these ETDs may prove to be even more valuable. In some cases, ETDs are not available for worldwide access and can only be accessed through the university library from which the student graduated. Public access to university library ETD collections is not always permitted. Nurse scholars from both developing and developed countries could benefit from ETDs.

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

International Nuclear Information System (INIS)

Thore, A.; Dahlqvist, M.; Alling, B.; Rosén, J.

2014-01-01

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn 2 GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants, the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn 2 GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M 2 AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.

In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: probing the physical principles

Science.gov (United States)

San-Miguel, Miguel A.; da Silva, Edison Z.; Zannetti, Sonia M.; Cilense, Mario; Fabbro, Maria T.; Gracia, Lourdes; Andrés, Juan; Longo, Elson

2016-06-01

Exploiting the plasmonic behavior of Ag nanoparticles grown on α-Ag2WO4 is a widely employed strategy to produce efficient photocatalysts, ozone sensors, and bactericides. However, a description of the atomic and electronic structure of the semiconductor sites irradiated by electrons is still not available. Such a description is of great importance to understand the mechanisms underlying these physical processes and to improve the design of silver nanoparticles to enhance their activities. Motivated by this, we studied the growth of silver nanoparticles to investigate this novel class of phenomena using both transmission electron microscopy and field emission scanning electron microscopy. A theoretical framework based on density functional theory calculations (DFT), together with experimental analysis and measurements, were developed to examine the changes in the local geometrical and electronic structure of the materials. The physical principles for the formation of Ag nanoparticles on α-Ag2WO4 by electron beam irradiation are described. Quantum mechanical calculations based on DFT show that the (001) of α-Ag2WO4 displays Ag atoms with different coordination numbers. Some of them are able to diffuse out of the surface with a very low energy barrier (less than 0.1 eV), thus, initiating the growth of metallic Ag nanostructures and leaving Ag vacancies in the bulk material. These processes increase the structural disorder of α-Ag2WO4 as well as its electrical resistance as observed in the experimental measurements.

Mosque as a Model of Learning Principles of Sustainable Architecture

Directory of Open Access Journals (Sweden)

Swambodo Murdariatmo Adi

2016-06-01

Full Text Available The mosque is an integral part of the circuit-worship rituals of Islam. For Muslims in Indonesia, the role of the mosque as a place of worship, examines religion and some other activities occupy a strategic position not only as a religious symbol but more emphasis on the function of the space as a public building. Utilization of space in public buildings as well as space-ritual-social space will have meaning for the people in view of adaptation space used. Awareness of the importance of effective space utilization and management of water resources wisely in support of the ritual apply the principles of sustainable architecture will have a positive impact for the people to give directions as to how the principle of austerity-not wasteful in Islam can be applied. This paper will discuss about the process of continuous learning from the essence of understanding of the mosque as a model in implementing the process of life, taking into account the principles of simplicity, functional and wisdom, especially in the efficiency of utilization of local resources. The method used in this research is qualitative descriptive, which is explained the theory and based on literature and accompanied by case study that have implemented the principles. The output of this application of the principles of sustainable architecture in the planning and use of mosques as a place in the relationship with God and with fellow human relations can be a model for the faithful to deal with wisely challenge natural resource constraints, especially for future generations.

Stability, electronic structures, and mechanical properties of Fe–Mn–Al system from first-principles calculations

International Nuclear Information System (INIS)

Liu Ya-Hui; Chong Xiao-Yu; Jiang Ye-Hua; Feng Jing

2017-01-01

The stability, electronic structures, and mechanical properties of the Fe–Mn–Al system were determined by first-principles calculations. The formation enthalpy and cohesive energy of these Fe–Mn–Al alloys are negative and show that the alloys are thermodynamically stable. Fe 3 Al, with the lowest formation enthalpy, is the most stable compound in the Fe–Mn–Al system. The partial density of states, total density of states, and electron density distribution maps of the Fe– Mn–Al alloys were analyzed. The bonding characteristics of these Fe–Mn–Al alloys are mainly combinations of covalent bonding and metallic bonds. The stress-strain method and Voigt–Reuss–Hill approximation were used to calculate the elastic constants and moduli, respectively. Fe 2.5 Mn 0.5 Al has the highest bulk modulus, 234.5 GPa. Fe 1.5 Mn 1.5 Al has the highest shear modulus and Young’s modulus, with values of 98.8 GPa and 259.2 GPa, respectively. These Fe–Mn–Al alloys display disparate anisotropies due to the calculated different shape of the three-dimensional curved surface of the Young’s modulus and anisotropic index. Moreover, the anisotropic sound velocities and Debye temperatures of these Fe–Mn–Al alloys were explored. (paper)

Electricity electron measurement

International Nuclear Information System (INIS)

Kim, Sang Jin; Sung, Rak Jin

1985-11-01

This book deals with measurement of electricity and electron. It is divided into fourteen chapters, which depicts basic of electricity measurement, unit and standard, important electron circuit for measurement, instrument of electricity, impedance measurement, power and power amount measurement, frequency and time measurement, waveform measurement, record instrument and direct viewing instrument, super high frequency measurement, digital measurement on analog-digital convert, magnetic measurement on classification by principle of measurement, measurement of electricity application with principle sensors and systematization of measurement.

Electronic and optical properties of RESn{sub 3} (RE=Pr & Nd) intermetallics: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Pagare, G., E-mail: gita-pagare@yahoo.co.in [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Abraham, Jisha A. [Department of Physics, Government M. L. B. Girls P. G. Autonomous College, Bhopal-462002 (India); Department of Physics, National Defence Academy, Pune-411023 (India); Sanyal, S. P. [Department of Physics, Barkatullah University, Bhopal-462026 (India)

2015-06-24

A theoretical study of structural, electronic and optical properties of RESn{sub 3} (RE = Pr & Nd) intermetallics have been investigated systematically using first principles density functional theory. The calculations are carried out within the PBE-GGA and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and the calculated lattice parameters show well agreement with the experimental results. We first time predict elastic constants for these compounds. From energy dispersion curves, it is found that these compounds are metallic in nature. The linear optical response of these compounds are also studied and the higher value of static dielectric constant shows the possibility to use them as good dielectric materials.

Practical electronics handbook

CERN Document Server

Sinclair, Ian R

2013-01-01

Practical Electronics Handbook, Third Edition provides the frequently used and highly applicable principles of electronics and electronic circuits.The book contains relevant information in electronics. The topics discussed in the text include passive and active discrete components; linear and digital I.C.s; microprocessors and microprocessor systems; digital-analogue conversions; computer aids in electronics design; and electronic hardware components.Electronic circuit constructors, service engineers, electronic design engineers, and anyone with an interest in electronics will find the book ve

Seven principle of highly effective Nuclear Energy Programs

International Nuclear Information System (INIS)

Ferguson, Ch.D.; Reed, Ph.D.

2010-01-01

This paper presents seven principles that demand consideration for any country using a nuclear power program or wanting to acquire such a program. These principles are assessing the overall energy system, determining effective use of financial resources for energy development, ensuring high safety standards, implementing best security practices, preventing the spread of nuclear weapons, managing radioactive waste in a safe and secure manner, and enacting a legal framework that encompasses the other principle areas. The paper applies management methods that underscore development of strong independent national capabilities integrated within an interdependent international system. The paper discusses the individual responsibilities of states in all seven principles and offers recommendations for how states can benefit from greater international cooperation in nuclear energy development

INVESTMENT ASPECT IN MATERIAL INCENTIVE OF HUMAN RESOURCES

Directory of Open Access Journals (Sweden)

Potasheva Galina Anatol’evna

2017-03-01

Full Text Available Value of intellectual resources in modern economy due to which the assets of human resources became one of the factors of formation of value of systems on the basis of their investing, is considered. Adequate evaluation of employees’ activities as one of the basic resources will make it possible to meet competition under conditions of "survival" through periodic formation of socio-economic profile and stimulation of investment in human resources on the basis of the following technologies: formation of a balanced scorecard system, creation of a mechanism of formation and distribution of labour compensation funds, use of the golden section principle. Establishment of wages according to the golden section principle contributes to the stability and commitment of employees and increase of efficiency of investments in human resources, provided that it doubles the sales volume and should accordingly increase the wages of each employee by a factor of 1.62. Statistical analysis demonstrated that organizations that work using the golden section principle increased the labour productivity on average by 10-20 %, augmented the turnover by a factor of 1.3–1.5, minimized the costs by 15-20 %. Application of the golden section technology creates conditions necessary for economic growth on the basis of efficiency of investments in human resources.

Library resources on the Internet

Science.gov (United States)

Buchanan, Nancy L.

1995-07-01

Library resources are prevalent on the Internet. Library catalogs, electronic books, electronic periodicals, periodical indexes, reference sources, and U.S. Government documents are available by telnet, Gopher, World Wide Web, and FTP. Comparatively few copyrighted library resources are available freely on the Internet. Internet implementations of library resources can add useful features, such as full-text searching. There are discussion lists, Gophers, and World Wide Web pages to help users keep up with new resources and changes to existing ones. The future will bring more library resources, more types of library resources, and more integrated implementations of such resources to the Internet.

Simulation-based crisis resource management training for pediatric critical care medicine: a review for instructors.

Science.gov (United States)

Cheng, Adam; Donoghue, Aaron; Gilfoyle, Elaine; Eppich, Walter

2012-03-01

To review the essential elements of crisis resource management and provide a resource for instructors by describing how to use simulation-based training to teach crisis resource management principles in pediatric acute care contexts. A MEDLINE-based literature source. OUTLINE OF REVIEW: This review is divided into three main sections: Background, Principles of Crisis Resource Management, and Tools and Resources. The background section provides the brief history and definition of crisis resource management. The next section describes all the essential elements of crisis resource management, including leadership and followership, communication, teamwork, resource use, and situational awareness. This is followed by a review of evidence supporting the use of simulation-based crisis resource management training in health care. The last section provides the resources necessary to develop crisis resource management training using a simulation-based approach. This includes a description of how to design pediatric simulation scenarios, how to effectively debrief, and a list of potential assessment tools that instructors can use to evaluate crisis resource management performance during simulation-based training. Crisis resource management principles form the foundation for efficient team functioning and subsequent error reduction in high-stakes environments such as acute care pediatrics. Effective instructor training is required for those programs wishing to teach these principles using simulation-based learning. Dissemination and integration of these principles into pediatric critical care practice has the potential for a tremendous impact on patient safety and outcomes.

Principled Missing Data Treatments.

Science.gov (United States)

Lang, Kyle M; Little, Todd D

2018-04-01

We review a number of issues regarding missing data treatments for intervention and prevention researchers. Many of the common missing data practices in prevention research are still, unfortunately, ill-advised (e.g., use of listwise and pairwise deletion, insufficient use of auxiliary variables). Our goal is to promote better practice in the handling of missing data. We review the current state of missing data methodology and recent missing data reporting in prevention research. We describe antiquated, ad hoc missing data treatments and discuss their limitations. We discuss two modern, principled missing data treatments: multiple imputation and full information maximum likelihood, and we offer practical tips on how to best employ these methods in prevention research. The principled missing data treatments that we discuss are couched in terms of how they improve causal and statistical inference in the prevention sciences. Our recommendations are firmly grounded in missing data theory and well-validated statistical principles for handling the missing data issues that are ubiquitous in biosocial and prevention research. We augment our broad survey of missing data analysis with references to more exhaustive resources.

Automotive mechatronics automotive networking, driving stability systems, electronics

CERN Document Server

2015-01-01

As the complexity of automotive vehicles increases this book presents operational and practical issues of automotive mechatronics. It is a comprehensive introduction to controlled automotive systems and provides detailed information of sensors for travel, angle, engine speed, vehicle speed, acceleration, pressure, temperature, flow, gas concentration etc. The measurement principles of the different sensor groups are explained and examples to show the measurement principles applied in different types. Contents Basics of mechatronics.- Architecture.- Electronic control unit.- Software development.- Basic principles of networking.- Automotive networking.- Bus systems.- Automotive sensors.- Sensor measuring principles.- Sensor types.- Electric actuators.- Electrohydraulic actuators.- Electronic transmission control.- Electronic transmission control unit.- Modules for transmission control.- Antilock braking system.- Traction control system.- Electronic stability program.- Automatic brake functions.- Hydraulic modu...

Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective

KAUST Repository

Mi, Wenbo; Yang, Hua; Cheng, Yingchun; Chen, Guifeng; Bai, Haili

2013-01-01

Magnetic and electronic properties of Fe3O4(111)/graphene heterostructures are investigated by first principles calculations. Different structural models have been considered, which differ in the interface termination of Fe3O4(111) surface with respect to the same monolayer graphene. In three models, the magnetic moment of Fe(A) has a major change due to less O atoms surrounding Fe(A) atoms than Fe(B). Magnetic moment is enhanced by 8.5%, 18.5%, and 8.7% for models (a), (b), and (c), respectively. Furthermore, the spin polarization of models (a) and (c) is lowered due to the simultaneous occurrence of density of states of spin-up Fe(A) and spin-down Fe(B) at Fermi lever. The spin polarization of model (b) remains the same as that of bulk Fe3O4. Our results suggest that different interface terminations and Fe(A) play an important role in determining the magnetism strength and spin polarization.

Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective

KAUST Repository

Mi, Wenbo

2013-02-27

Magnetic and electronic properties of Fe3O4(111)/graphene heterostructures are investigated by first principles calculations. Different structural models have been considered, which differ in the interface termination of Fe3O4(111) surface with respect to the same monolayer graphene. In three models, the magnetic moment of Fe(A) has a major change due to less O atoms surrounding Fe(A) atoms than Fe(B). Magnetic moment is enhanced by 8.5%, 18.5%, and 8.7% for models (a), (b), and (c), respectively. Furthermore, the spin polarization of models (a) and (c) is lowered due to the simultaneous occurrence of density of states of spin-up Fe(A) and spin-down Fe(B) at Fermi lever. The spin polarization of model (b) remains the same as that of bulk Fe3O4. Our results suggest that different interface terminations and Fe(A) play an important role in determining the magnetism strength and spin polarization.

First-principles calculation of the structural, electronic, elastic, and optical properties of sulfur-doping ε -GaSe crystal

International Nuclear Information System (INIS)

Huang Chang-Bao; Wu Hai-Xin; Ni You-Bao; Wang Zhen-You; Qi Ming; Zhang Chun-Li

2016-01-01

The structural, electronic, mechanical properties, and frequency-dependent refractive indexes of GaSe 1–x S x (x = 0, 0.25, and 1) are studied by using the first-principles pseudopotential method within density functional theory. The calculated results demonstrate the relationships between intralayer structure and elastic modulus in GaSe 1–x S x (x = 0, 0.25, and 1). Doping of ε -GaSe with S strengthens the Ga– X bonds and increases its elastic moduli of C 11 and C 66 . Born effective charge analysis provides an explanation for the modification of cleavage properties about the doping of ε -GaSe with S. The calculated results of band gaps suggest that the distance between intralayer atom and substitution of S Se , rather than interlayer force, is a key factor influencing the electronic exciton energy of the layer semiconductor. The calculated refractive indexes indicate that the doping of ε -GaSe with S reduces its refractive index and increases its birefringence. (paper)

Price regulation and international resource supply

Energy Technology Data Exchange (ETDEWEB)

Siebert, H

1982-03-01

Price regulation is an instrument between two diverging aims: The demand for low resource prices motivated by the principle of equal distribution in our day, and the desire for economical management of resources as a responsibility we have to future generations. The present publication investigates how price regulation influences intertemporal supply of resources. For the assumed cases constant resource price, constant admissible increase in resource price, expected release of resource price and deregulation of a price held constant for a period of time mathematical models are developmed.

First principle calculations of alkali hydride electronic structures

International Nuclear Information System (INIS)

Novakovic, N; Radisavljevic, I; Colognesi, D; Ostojic, S; Ivanovic, N

2007-01-01

Electronic structure, volume optimization, bulk moduli, elastic constants, and frequencies of the transversal optical vibrations in LiH, NaH, KH, RbH, and CsH are calculated using the full potential augmented plane wave method, extended with local orbitals, and the full potential linearized augmented plane wave method. The obtained results show some common features in the electronic structure of these compounds, but also clear differences, which cannot be explained using simple empirical trends. The differences are particularly prominent in the electronic distributions and interactions in various crystallographic planes. In the light of these findings we have elaborated some selected experimental results and discussed several theoretical approaches frequently used for the description of various alkali hydride properties

First-principles calculations of vacancy effects on structural and electronic properties of TiCx and TiNx

International Nuclear Information System (INIS)

Dridi, Z.; Bouhafs, B.; Ruterana, P.; Aourag, H.

2002-01-01

First-principles calculations have been used to study the effect of vacancies on the structural and electronic properties in substoichiometric TiC x and TiN x . The effect of vacancies on equilibrium volumes, bulk moduli, electronic band structures and density of states of the substoichiometric phases was studied using a full-potential linear augmented plane-wave method. A model structure of eight-atom supercells with ordered vacancies within the carbon and nitrogen sublattices is used. We find that the lattice parameters of the studied stoichiometries in both TiC x and TiN x are smaller than that of ideal stoichiometric TiC and TiN. Our results for the variation of the lattice parameters and the bulk moduli for TiC x are found to be in good agreement with experiment. The variation of the energy gaps with the atomic concentration ratio shows that these compounds present the same trends. Results for TiC x are compared to a recent full-potential calculation with relaxed 16-atom supercells

ELECTRONIC EDUCATIONAL RESOURCES FOR ONLINE SUPPORT OF MODERN CHEMISTRY CLASSES IN SPECIALIZED SCHOOL

Directory of Open Access Journals (Sweden)

Maria D. Tukalo

2013-09-01

Full Text Available This article contains material of some modern electronic educational resources that can be used via the Internet to support the modern chemistry classes in specialized school. It was drawn attention to the educational chemical experiments as means of knowledge; simulated key motivational characteristics to enhance students interest for learning subjects, their cognitive and practical activity in the formation of self-reliance and self-creative; commented forecasts for creating of conditions to enhance the creative potential of students in a modern learning environment.

Selection and Evaluation of Electronic Resources

Directory of Open Access Journals (Sweden)

Doğan Atılgan

2013-11-01

Full Text Available Publication boom and issues related to controlling and accession of printed sources have created some problems after World War II. Consequently, publishing industry has encountered the problem of finding possible solution for emerged situation. Industry of electronic publishing has started to improve with the rapid increase of the price of printed sources as well as the problem of publication boom. The first effects of electronic publishing were appeared on the academic and scholarly publications then electronic publishing became a crucial part of all types of publications. As a result of these developments, collection developments and service policies of information centers were also significantly changed. In this article, after a general introduction about selection and evaluation processes of electronic publications, the subscribed databases by a state and a privately owned university in Turkey and their usage were examined.

Water resource management model for a river basin

OpenAIRE

Jelisejevienė, Emilija

2005-01-01

The objective is to develop river basin management model that ensures integrated analysis of existing water resource problems and promotes implementation of sustainable development principles in water resources management.

An Exploratory study on the use of LibAnswers to Resolve, Track and Monitor Electronic Resources Issues: The KAUST Library experience

KAUST Repository

Ramli, Rindra M.

2017-01-01

An Exploratory study on KAUST library use of LibAnswers in resolving electronic resources questions received in LibAnswers. It describes the findings of the questions received in LibAnswers. The author made suggestions based on the findings to improve the reference services in responding to e-resources questions.

An Exploratory study on the use of LibAnswers to Resolve, Track and Monitor Electronic Resources Issues: The KAUST Library experience

KAUST Repository

Ramli, Rindra M.

2017-05-03

An Exploratory study on KAUST library use of LibAnswers in resolving electronic resources questions received in LibAnswers. It describes the findings of the questions received in LibAnswers. The author made suggestions based on the findings to improve the reference services in responding to e-resources questions.

The level of the usage of the human resource information system and electronic recruitment in Croatian companies

Directory of Open Access Journals (Sweden)

Snježana Pivac

2014-12-01

Full Text Available Performing business according to contemporary requirements influences companies for continuous usage of modern managerial tools, such as a human resource information system (HRIS and electronic recruitment (ER. Human resources have been recognised as curtail resources and the main source of a competitive advantage in creation of successful business performance. In order to attract and select the top employees, companies use quality information software for attracting internal ones, and electronic recruitment for attracting the best possible external candidates. The main aim of this paper is to research the level of the usage of HRIS and ER within medium-size and large Croatian companies. Moreover, the additional aim of this paper is to evaluate the relationship among the usage of these modern managerial tools and the overall success of human resource management within these companies. For the purpose of this paper, primary and secondary research has been conducted in order to reveal the level of the usage of HRIS and ER as well as the overall success of human resource management in Croatian companies. The companies’ classification (HRIS and ER is done by using the non-hierarchical k-means cluster method as well as the nonparametric Kruskal Wallis test. Further, the companies are ranked by the multicriteria PROMETHEE method. Relevant nonparametric tests are used for testing the overall companies’ HRM. Finally, binary logistic regression is estimated, relating binary variable HRM and HRIS development. After detailed research, it can be concluded that large Croatian companies apply HRIS in majority (with a positive relation to HRM performance, but still require certain degrees of its development.

The electronic encapsulation of knowledge in hydraulics, hydrology and water resources

Science.gov (United States)

Abbott, Michael B.

The rapidly developing practice of encapsulating knowledge in electronic media is shown to lead necessarily to the restructuring of the knowledge itself. The consequences of this for hydraulics, hydrology and more general water-resources management are investigated in particular relation to current process-simulation, real-time control and advice-serving systems. The generic properties of the electronic knowledge encapsulator are described, and attention is drawn to the manner in which knowledge 'goes into hiding' through encapsulation. This property is traced in the simple situations of pure mathesis and in the more complex situations of taxinomia using one example each from hydraulics and hydrology. The consequences for systems architectures are explained, pointing to the need for multi-agent architectures for ecological modelling and for more general hydroinformatics systems also. The relevance of these developments is indicated by reference to ongoing projects in which they are currently being realised. In conclusion, some more general epistemological aspects are considered within the same context. As this contribution is so much concerned with the processes of signification and communication, it has been partly shaped by the theory of semiotics, as popularised by Eco ( A Theory of Semiotics, Indiana University, Bloomington, 1977).

Physical Principle for Generation of Randomness

Science.gov (United States)

Zak, Michail

2009-01-01

A physical principle (more precisely, a principle that incorporates mathematical models used in physics) has been conceived as the basis of a method of generating randomness in Monte Carlo simulations. The principle eliminates the need for conventional random-number generators. The Monte Carlo simulation method is among the most powerful computational methods for solving high-dimensional problems in physics, chemistry, economics, and information processing. The Monte Carlo simulation method is especially effective for solving problems in which computational complexity increases exponentially with dimensionality. The main advantage of the Monte Carlo simulation method over other methods is that the demand on computational resources becomes independent of dimensionality. As augmented by the present principle, the Monte Carlo simulation method becomes an even more powerful computational method that is especially useful for solving problems associated with dynamics of fluids, planning, scheduling, and combinatorial optimization. The present principle is based on coupling of dynamical equations with the corresponding Liouville equation. The randomness is generated by non-Lipschitz instability of dynamics triggered and controlled by feedback from the Liouville equation. (In non-Lipschitz dynamics, the derivatives of solutions of the dynamical equations are not required to be bounded.)

A first principles study of the mechanical, electronic, and vibrational properties of lead oxide

Science.gov (United States)

Zhuravlev, Yu. N.; Korabel'nikov, D. V.

2017-11-01

The first principles study of the crystal structure, chemical bonds, elastic and mechanical properties, electron energy band structure and density, and normal long-wave vibrations of nine phases of lead monoxide, dioxide, and tetraoxide has been performed under normal and external pressure within the framework of density functional theory (DFT) with the Perdew-Becke-Ernzerhof (PBE) gradient exchange-correlation functional and its hybrid version with a 25-% Hartree-Fock (HF) exchange contribution in the basis of localized atom orbitals. The behavior of physical parameters has been studied using the cold four- and threeparameter equations of state. The parameters of the crystal structures are in satisfactory agreement with experimental data, and elastic constants indicate their mechanical stability and anisotropy in the elastic properties. The elasticity, shear, and Young moduli, hardness, acoustic velocities, and Debye temperature of dioxide on the one hand and monoxide and tetraoxide on the other hand appreciably differ from each other. The difference between electron properties may be explained by the character of hybridization in the upper filled and lower empty energy bands as evident from the density of states. In monoxide, the indirect band gap width decreases with increasing pressure at a rate of 0.16 eV/GPa, and the direct band gap width increases at a rate of 0.13 eV/GPa. To identify crystalline phases, the frequencies and intensities of long-wave modes active in IR and Raman spectra have been calculated.

First-principles Study of the Electronic Structure and Optical Properties of MgH2

Science.gov (United States)

Alford, Ashley; Chou, Mei-Yin

2003-03-01

It has been noticed that magnesium might play an interesting role in recently discovered switchable-mirror systems. For example, the films of rare earth and magnesium alloys are found to be superior to the pure rare-earth samples in maximum transparency and mirror-state reflectivity [1]. Moreover, the magnesium-rich Ni-Mg alloy films turned out to be a switchable-mirror system without rare earths [2]. In both cases, pure transparent MgH2 is reversibly formed when these alloys take up hydrogen. In order to model the optical properties of these films, we need to know the electronic and optical properties of MgH2. In this work, we investigate its bonding characteristics, band structure, and dielectric properties with first-principles theoretical methods. The stability of the crystal and the bonding are studied using density functional theory and pseudopotential methods. The excited state properties (the quasiparticle spectra) are studied by many-body perturbation theory within the so-called GW approximation in which the electronic self-energy is approximated by the full Green's function (G) times the screened Coulomb interaction (W). We will report the results for both the rutile-structured alpha-MgH2 and the low-symmetry gamma-MgH2. [1] P. van der Sluis, M. Ouwerkerk, and P. A. Duine, Appl. Phys. Lett. 70, 3356 (1997). [2] T. J. Richardson, J. L. Slack, R. D. armitage, R. Kostecki, B. Farangis, and M. D. Rubin, Appl. Phys. Lett. 78, 3047 (2001).

Application of electron beam irradiation, (1). Development and application of electron beam processors

International Nuclear Information System (INIS)

Katsumura, Yosuke

1994-01-01

This paper deals with characteristics, equipment (principle and kinds), present conditions, and future issues in the application of electron beam irradiation. Characteristics of electron beams are described in terms of the following: chemical and biological effects of radiation; energy and penetrating power of electron beams; and principle and kinds of electron beam accelerator. Industrial application of electron beam irradiation has advantages of high speed procedure and producibility, less energy, avoidance of poisonous gas, and extreme reduction of organic solvents to be used. The present application of electron beam irradiation cen be divided into the following: (1) hardening of resin or coated membrane; (2) improvement of macromolecular materials; (3) environmental protection; (4) sterilization; (5) food sterilization. The present equipment for electron beam irradiation is introduced according to low energy, medium energy, and high energy equipment. Finally, future issues focuses on (1) the improvement of traceability system and development of electron dosimetric techniques and (2) food sterilization. (N.K.)

RESEARCH OF INFLUENCE OF QUALITY OF ELECTRONIC EDUCATIONAL RESOURCES ON QUALITY OF TRAINING WITH USE OF DISTANCE TECHNOLOGIES

Directory of Open Access Journals (Sweden)

H. M. Kravtsov

2013-03-01

Full Text Available Communication improving of educational processes requires today new approaches to the management arrangements and forming of educational policy in the field of distance learning, which is based on the use of modern information and communication technologies. An important step in this process is the continuous monitoring of the development and implementation of information technology and, in particular, the distance learning systems in higher educational establishments. The main objective of the monitoring is the impact assessment on the development of distance learning following the state educational standards, curricula, methodical and technical equipment and other factors; factors revelation that influence the implementation and outcomes of distance learning; results comparison of educational institution functioning and distance education systems in order to determine the most efficient ways of its development. The paper presents the analysis results of the dependence of the quality of educational services on the electronic educational resources. Trends in educational services development was studied by comparing the quality influence of electronic educational resources on the quality of educational services of higher pedagogical educational institutions of Ukraine as of 2009-2010 and 2012-2013. Generally, the analysis of the survey results allows evaluating quality of the modern education services as satisfactory and it can be said that almost 70% of the success of their future development depends on the quality of the used electronic educational resources and distance learning systems in particular.

Structural, elastic, and electronic properties of new 211 MAX phase Nb{sub 2}GeC from first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Shein, I.R. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation); Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg 620990 (Russian Federation)

2013-02-01

Very recently (2012, Phys. Rev Lett., 109, 035502) a new hexagonal (s.g. P63/mmc, Music-Sharp-Sign 194) ternary phase Nb{sub 2}GeC, which belongs to so-called 211-like MAX phases, was discovered. In order to get a systematic insight into the structural, elastic, and electronic properties of Nb{sub 2}GeC, we used two complementary DFT-based first-principles approaches (as implemented in the VASP and Wien2k packages) to calculate the optimized structural parameters, band structure, densities of state, Fermi surface, and a set of elastic parameters: elastic constants (C{sub ij}), bulk modulus (B), compressibility ({beta}), shear modulus (G), Young's modulus (Y), and elastic anisotropy indexes, which were discussed in comparison with available data. Besides, the inter-atomic bonding picture for Nb{sub 2}GeC was discussed using electron density maps and Bader's charge analysis.

Uranium resource processing. Secondary resources

International Nuclear Information System (INIS)

Gupta, C.K.; Singh, H.

2003-01-01

This book concentrates on the processing of secondary sources for recovering uranium, a field which has gained in importance in recent years as it is environmental-friendly and economically in tune with the philosophy of sustainable development. Special mention is made of rock phosphate, copper and gold tailings, uranium scrap materials (both natural and enriched) and sea water. This volume includes related area of ore mineralogy, resource classification, processing principles involved in solubilization followed by separation and safety aspects

Health Insurance: principles, models and the Nigerian National ...

African Journals Online (AJOL)

... more resources to the health care sector and improve the level of access and ... This article amongst other things outlines the principles and models of health ... journal articles, abstracts, relevant books and internet articles were reviewed.

Common Principles of Molecular Electronics and Nanoscale Electrochemistry.

Science.gov (United States)

Bueno, Paulo Roberto

2018-05-24

The merging of nanoscale electronics and electrochemistry can potentially modernize the way electronic devices are currently engineered or constructed. It is well known that the greatest challenges will involve not only miniaturizing and improving the performance of mobile devices, but also manufacturing reliable electrical vehicles, and engineering more efficient solar panels and energy storage systems. These are just a few examples of how technological innovation is dependent on both electrochemical and electronic elements. This paper offers a conceptual discussion of this central topic, with particular focus on the impact that uniting physical and chemical concepts at a nanoscale could have on the future development of electroanalytical devices. The specific example to which this article refers pertains to molecular diagnostics, i.e., devices that employ physical and electrochemical concepts to diagnose diseases.

First-principles calculations of the electronic and structural properties of GaSb

Energy Technology Data Exchange (ETDEWEB)

Castaño-González, E.-E. [Universidad del Norte, Grupo de Investigación en Física Aplicada, Departamento de Física (Colombia); Seña, N. [Universidad Nacional de Colombia-Colombia, Departamento de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones (Colombia); Mendoza-Estrada, V.; González-Hernández, R., E-mail: rhernandezj@uninorte.edu.co [Universidad del Norte, Grupo de Investigación en Física Aplicada, Departamento de Física (Colombia); Dussan, A. [Universidad Nacional de Colombia-Colombia, Departamento de Física, Grupo de Materiales Nanoestructurados y sus Aplicaciones (Colombia); Mesa, F., E-mail: fredy.mesa@urosario.edu.co [Universidad del Rosario, Grupo NanoTech, Facultad de Ciencias Naturales y Matemáticas (Colombia)

2016-10-15

In this paper, we carried out first-principles calculations in order to investigate the structural and electronic properties of the binary compound gallium antimonide (GaSb). This theoretical study was carried out using the Density Functional Theory within the plane-wave pseudopotential method. The effects of exchange and correlation (XC) were treated using the functional Local Density Approximation (LDA), generalized gradient approximation (GGA): Perdew–Burke–Ernzerhof (PBE), Perdew-Burke-Ernzerhof revised for solids (PBEsol), Perdew-Wang91 (PW91), revised Perdew–Burke–Ernzerhof (rPBE), Armiento–Mattson 2005 (AM05) and meta-generalized gradient approximation (meta-GGA): Tao–Perdew–Staroverov–Scuseria (TPSS) and revised Tao–Perdew–Staroverov–Scuseria (RTPSS) and modified Becke-Johnson (MBJ). We calculated the densities of state (DOS) and band structure with different XC potentials identified and compared them with the theoretical and experimental results reported in the literature. It was discovered that functional: LDA, PBEsol, AM05 and RTPSS provide the best results to calculate the lattice parameters (a) and bulk modulus (B{sub 0}); while for the cohesive energy (E{sub coh}), functional: AM05, RTPSS and PW91 are closer to the values obtained experimentally. The MBJ, Rtpss and AM05 values found for the band gap energy is slightly underestimated with those values reported experimentally.

Tracking the Flow of Resources in Electronic Waste - The Case of End-of-Life Computer Hard Disk Drives.

Science.gov (United States)

Habib, Komal; Parajuly, Keshav; Wenzel, Henrik

2015-10-20

Recovery of resources, in particular, metals, from waste flows is widely seen as a prioritized option to reduce their potential supply constraints in the future. The current waste electrical and electronic equipment (WEEE) treatment system is more focused on bulk metals, where the recycling rate of specialty metals, such as rare earths, is negligible compared to their increasing use in modern products, such as electronics. This study investigates the challenges in recovering these resources in the existing WEEE treatment system. It is illustrated by following the material flows of resources in a conventional WEEE treatment plant in Denmark. Computer hard disk drives (HDDs) containing neodymium-iron-boron (NdFeB) magnets were selected as the case product for this experiment. The resulting output fractions were tracked until their final treatment in order to estimate the recovery potential of rare earth elements (REEs) and other resources contained in HDDs. The results further show that out of the 244 kg of HDDs treated, 212 kg comprising mainly of aluminum and steel can be finally recovered from the metallurgic process. The results further demonstrate the complete loss of REEs in the existing shredding-based WEEE treatment processes. Dismantling and separate processing of NdFeB magnets from their end-use products can be a more preferred option over shredding. However, it remains a technological and logistic challenge for the existing system.

Toward control of the metal-organic interfacial electronic structure in molecular electronics: a first-principles study on self-assembled monolayers of pi-conjugated molecules on noble metals.

Science.gov (United States)

Heimel, Georg; Romaner, Lorenz; Zojer, Egbert; Brédas, Jean-Luc

2007-04-01

Self-assembled monolayers (SAMs) of organic molecules provide an important tool to tune the work function of electrodes in plastic electronics and significantly improve device performance. Also, the energetic alignment of the frontier molecular orbitals in the SAM with the Fermi energy of a metal electrode dominates charge transport in single-molecule devices. On the basis of first-principles calculations on SAMs of pi-conjugated molecules on noble metals, we provide a detailed description of the mechanisms that give rise to and intrinsically link these interfacial phenomena at the atomic level. The docking chemistry on the metal side of the SAM determines the level alignment, while chemical modifications on the far side provide an additional, independent handle to modify the substrate work function; both aspects can be tuned over several eV. The comprehensive picture established in this work provides valuable guidelines for controlling charge-carrier injection in organic electronics and current-voltage characteristics in single-molecule devices.

Resourcing the National Goals for Schooling: An Agreed Framework of Principles for Funding Schools

Science.gov (United States)

Ministerial Council on Education, Employment, Training and Youth Affairs (NJ1), 2012

2012-01-01

Funding for school education in Australia should be on the basis of clear and agreed policy principles for achieving effectiveness, efficiency, equity and a socially and culturally cohesive society. On the basis of these principles a national framework for funding schools will be supported by complementary State and Commonwealth models for funding…

Principles of General Systems Theory: Some Implications for Higher Education Administration

Science.gov (United States)

Gilliland, Martha W.; Gilliland, J. Richard

1978-01-01

Three principles of general systems theory are presented and systems theory is distinguished from systems analysis. The principles state that all systems tend to become more disorderly, that they must be diverse in order to be stable, and that only those maximizing their resource utilization for doing useful work will survive. (Author/LBH)

Basic regulatory principles of Escherichia coli's electron transport chain for varying oxygen conditions.

Science.gov (United States)

Henkel, Sebastian G; Ter Beek, Alexander; Steinsiek, Sonja; Stagge, Stefan; Bettenbrock, Katja; de Mattos, M Joost Teixeira; Sauter, Thomas; Sawodny, Oliver; Ederer, Michael

2014-01-01

For adaptation between anaerobic, micro-aerobic and aerobic conditions Escherichia coli's metabolism and in particular its electron transport chain (ETC) is highly regulated. Although it is known that the global transcriptional regulators FNR and ArcA are involved in oxygen response it is unclear how they interplay in the regulation of ETC enzymes under micro-aerobic chemostat conditions. Also, there are diverse results which and how quinones (oxidised/reduced, ubiquinone/other quinones) are controlling the ArcBA two-component system. In the following a mathematical model of the E. coli ETC linked to basic modules for substrate uptake, fermentation product excretion and biomass formation is introduced. The kinetic modelling focusses on regulatory principles of the ETC for varying oxygen conditions in glucose-limited continuous cultures. The model is based on the balance of electron donation (glucose) and acceptance (oxygen or other acceptors). Also, it is able to account for different chemostat conditions due to changed substrate concentrations and dilution rates. The parameter identification process is divided into an estimation and a validation step based on previously published and new experimental data. The model shows that experimentally observed, qualitatively different behaviour of the ubiquinone redox state and the ArcA activity profile in the micro-aerobic range for different experimental conditions can emerge from a single network structure. The network structure features a strong feed-forward effect from the FNR regulatory system to the ArcBA regulatory system via a common control of the dehydrogenases of the ETC. The model supports the hypothesis that ubiquinone but not ubiquinol plays a key role in determining the activity of ArcBA in a glucose-limited chemostat at micro-aerobic conditions.

Principles of ration formulation for ruminants

International Nuclear Information System (INIS)

Jayasuriya, M.C.N.

2002-01-01

Feeding standards as practiced in developed countries could be misleading when non-conventional feed resources are used in formulating rations for ruminant livestock in developing countries. They tend to reject the poor quality feeds that are available in vast quantities. The non-availability of good quality forage throughout the year and the need to optimise the efficiency of utilisation of locally available feed resources have lead to the application of basic nutritional principles when considering ration formulation. The alternative approach to the use of feeding standards would be to ensure that the production system matches the available resources. The development of feed supplementation strategies based on locally available feed resources require the understanding of the relative roles and nutrient needs of the two-compartment system represented by the micro-organisms in the rumen and the host animal. (author)

Design and evaluation of an integrated safeguards system: principles

International Nuclear Information System (INIS)

Markin, J.T.; Coulter, C.A.; Gutmacher, R.G.; Whitty, W.J.

1984-01-01

An integrated safeguards system is defined as a collection of safeguards activities in which system components are coordinated to meet safeguards objectives efficiently within constraints imposed by safeguards resources, facility operations, potential adversaries, and regulatory requirements. This paper describes principles for designing and evaluating an integrated safeguards system that consists of four parts: a problem definition phase that specifies resources and constraints composing the problem boundary values, a system analysis/synthesis phase that describes how to select and integrate safeguards activities for efficient attainment of system objectives, a system evaluation/optimization phase that defines measures of safeguards performance and develops methods for evaluating them, and a decision-making phase that develops principles for selecting admissible designs and preference-ordering designs

First-principles study on electronic, optic, elastic, dynamic and thermodynamic properties of RbH compound

Directory of Open Access Journals (Sweden)

Gulebaglan Sinem Erden

2015-01-01

Full Text Available We performed first-principles calculations to obtain the electronic, optical, elastic, lattice-dynamical and thermodynamic properties of RbH compound with rock salt structure. The ground-state properties, i.e., the lattice constant and the band gap were investigated using a plane wave pseudopotential method within density functional theory. The calculated lattice constant, bulk modulus, energy band gap and elastic constants are reported and compared with previous theoretical and experimental results. Our calculated results and the previous results which are obtained from literature are in a good agreement. Moreover, real and imaginary parts of complex dielectric function, reflectivity spectrum, absorption, extinction coefficient and loss function as a function of photon energy and refractive index with respect to photon wavelength were calculated. In addition, temperature dependent thermodynamic properties such as Helmholtz free energy, internal energy, entropy and specific heat have been studied.

Phase stability, electronic, elastic and thermodynamic properties of Al-RE intermetallics in Mg-Al-RE alloy: A first principles study

Directory of Open Access Journals (Sweden)

H.L. Chen

2015-09-01

Full Text Available Electronic structure and elastic properties of Al2Y, Al3Y, Al2Gd and Al3Gd phases were investigated by means of first-principles calculations from CASTEP program based on density functional theory (DFT. The ground state energy and elastic constants of each phase were calculated, the formation enthalpy (ΔH, bulk modulus (B, shear modulus (G, Young's modulus (E, Poisson's ratio (ν and anisotropic coefficient (A were derived. The formation enthalpy shows that Al2RE is more stable than Al3RE, and Al-Y intermetallics have stronger phase stability than Al-Gd intermetallics. The calculated mechanical properties indicate that all these four intermetallics are strong and hard brittle phases, it may lead to the similar performance when deforming due to their similar elastic constants. The total and partial electron density of states (DOS, Mulliken population and metallicity were calculated to analyze the electron structure and bonding characteristics of the phases. Finally, phonon calculation was conducted, and the thermodynamic properties were obtained and further discussed.

Chapter 9: Electronics

International Nuclear Information System (INIS)

Grupen, Claus; Shwartz, Boris A.

2006-01-01

Sophisticated front-end electronics are a key part of practically all modern radiation detector systems. This chapter introduces the basic principles and their implementation. Topics include signal acquisition, electronic noise, pulse shaping (analog and digital), and data readout techniques

Electron interaction and spin effects in quantum wires, quantum dots and quantum point contacts: a first-principles mean-field approach

International Nuclear Information System (INIS)

Zozoulenko, I V; Ihnatsenka, S

2008-01-01

We have developed a mean-field first-principles approach for studying electronic and transport properties of low dimensional lateral structures in the integer quantum Hall regime. The electron interactions and spin effects are included within the spin density functional theory in the local density approximation where the conductance, the density, the effective potentials and the band structure are calculated on the basis of the Green's function technique. In this paper we present a systematic review of the major results obtained on the energetics, spin polarization, effective g factor, magnetosubband and edge state structure of split-gate and cleaved-edge overgrown quantum wires as well as on the conductance of quantum point contacts (QPCs) and open quantum dots. In particular, we discuss how the spin-resolved subband structure, the current densities, the confining potentials, as well as the spin polarization of the electron and current densities in quantum wires and antidots evolve when an applied magnetic field varies. We also discuss the role of the electron interaction and spin effects in the conductance of open systems focusing our attention on the 0.7 conductance anomaly in the QPCs. Special emphasis is given to the effect of the electron interaction on the conductance oscillations and their statistics in open quantum dots as well as to interpretation of the related experiments on the ultralow temperature saturation of the coherence time in open dots

Synchronization Of TRIMs Principles In The Legislation Of Mining Sector In Indonesia

Directory of Open Access Journals (Sweden)

Agus Lanini

2015-08-01

Full Text Available The aims of this research are to know and explain synchronizing the principles of TRIMs at the foreign direct investment FDI and mining regulation in Indonesia. The research using normative research that conducted through library or document study such legal resources as primary sources secondary and tertiary sources that will be studied with applied legal approach comparative history and conceptual approach. Research results are revealing that synchronizing between the principles of TRIMs and Investment act 2007and Mineral and Coal act 2009 were not harmonized. It should be TRIMs and investment act 2007 have some similarity principles as harmonized even though Mineral and Coal act 2009 does not enough accessibility for the principles of TRIMs. Implication of the Mineral and Coal act 2009 raise a strong and real authority of the state even central or local government. Those policy results an overlap regulation caused state management system over natural resources ineffective.

Cosmological principles. II. Physical principles

International Nuclear Information System (INIS)

Harrison, E.R.

1974-01-01

The discussion of cosmological principle covers the uniformity principle of the laws of physics, the gravitation and cognizability principles, and the Dirac creation, chaos, and bootstrap principles. (U.S.)

Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron–electron interactions, application to graphene

International Nuclear Information System (INIS)

Borowik, Piotr; Thobel, Jean-Luc; Adamowicz, Leszek

2017-01-01

Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron–electron (e–e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e–e interactions. This required adapting the treatment of e–e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

Modified Monte Carlo method for study of electron transport in degenerate electron gas in the presence of electron–electron interactions, application to graphene

Energy Technology Data Exchange (ETDEWEB)

Borowik, Piotr, E-mail: pborow@poczta.onet.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland); Thobel, Jean-Luc, E-mail: jean-luc.thobel@iemn.univ-lille1.fr [Institut d' Electronique, de Microélectronique et de Nanotechnologies, UMR CNRS 8520, Université Lille 1, Avenue Poincaré, CS 60069, 59652 Villeneuve d' Ascq Cédex (France); Adamowicz, Leszek, E-mail: adamo@if.pw.edu.pl [Warsaw University of Technology, Faculty of Physics, ul. Koszykowa 75, 00-662 Warszawa (Poland)

2017-07-15

Standard computational methods used to take account of the Pauli Exclusion Principle into Monte Carlo (MC) simulations of electron transport in semiconductors may give unphysical results in low field regime, where obtained electron distribution function takes values exceeding unity. Modified algorithms were already proposed and allow to correctly account for electron scattering on phonons or impurities. Present paper extends this approach and proposes improved simulation scheme allowing including Pauli exclusion principle for electron–electron (e–e) scattering into MC simulations. Simulations with significantly reduced computational cost recreate correct values of the electron distribution function. Proposed algorithm is applied to study transport properties of degenerate electrons in graphene with e–e interactions. This required adapting the treatment of e–e scattering in the case of linear band dispersion relation. Hence, this part of the simulation algorithm is described in details.

Principles of electron backscattering by solids and thin films

International Nuclear Information System (INIS)

Niedrig, H.

1977-01-01

The parameters concerning the electron backscattering from thin films and solids (atomic scattering cross-section, atomic number, single/multiple scattering, film thickness of self-supporting films and of surface films on bulk substrates, scattering angular distribution, angle of incidence, diffraction effects) are described. Their influence on some important contrast mechanisms in scanning electron microscopy (thickness contrast, Z/material contrast, tilting/topography contrast, orientation contrast) is discussed. The main backscattering electron detection systems are briefly described. (orig.) [de

76 FR 38146 - Revision to the Final Principles of Integrated Resource Planning for Use in Resource Acquisition...

Science.gov (United States)

2011-06-29

... Western office responsible for marketing power from a specific project will identify the need for a long... appropriate level of NEPA review. Factors affecting the level of NEPA review include whether the project... DEPARTMENT OF ENERGY Western Area Power Administration Revision to the Final Principles of...

Indeterminacy and the principle of need.

Science.gov (United States)

Herlitz, Anders

2017-02-01

The principle of need-the idea that resources should be allocated according to need-is often invoked in priority setting in the health care sector. In this article, I argue that a reasonable principle of need must be indeterminate, and examine three different ways that this can be dealt with: appendicizing the principle with further principles, imposing determinacy, or empowering decision makers. I argue that need must be conceptualized as a composite property composed of at least two factors: health shortfall and capacity to benefit. When one examines how the different factors relate to each other, one discovers that this is sometimes indeterminate. I illustrate this indeterminacy in this article by applying the small improvement argument. If the relation between the factors are always determinate, the comparative relation changes by a small adjustment. Yet, if two needs are dissimilar but of seemingly equal magnitude, the comparative relation does not change by a small adjustment of one of the factors. I then outline arguments in favor of each of the three strategies for dealing with indeterminacy, but also point out that all strategies have significant shortcomings. More research is needed concerning how to deal with this indeterminacy, and the most promising path seems to be to scrutinize the position of the principle of need among a plurality of relevant principles for priority setting in the health care sector.

First-principles modeling of titanate/ruthenate superlattices

Science.gov (United States)

Junquera, Javier

2013-03-01

The possibility to create highly confined two-dimensional electron gases (2DEG) at oxide interfaces has generated much excitement during the last few years. The most widely studied system is the 2DEG formed at the LaO/TiO2 polar interface between LaAlO3 and SrTiO3, where the polar catastrophe at the interface has been invoked as the driving force. More recently, partial or complete delta doping of the Sr or Ti cations at a single layer of a SrTiO3 matrix has also been used to generate 2DEG. Following this recipe, we report first principles characterization of the structural and electronic properties of (SrTiO3)5/(SrRuO3)1 superlattices, where all the Ti of a given layer have been replaced by Ru. We show that the system exhibits a spin-polarized two-dimensional electron gas extremely confined to the 4 d orbitals of Ru in the SrRuO3 layer, a fact that is independent of the level of correlation included in the simulations. For hybrid functionals or LDA+U, every interface in the superlattice behaves as minority-spin half-metal ferromagnet, with a magnetic moment of μ = 2.0 μB/SrRuO3 unit. The shape of the electronic density of states, half metallicity and magnetism are explained in terms of a simplified tight-binding model, considering only the t2 g orbitals plus (i) the bi-dimensionality of the system, and (ii) strong electron correlations. Possible applications are discussed, from their eventual role in thermoelectric applications to the possible tuning of ferromagnetic properties of the 2DEG with the polarization of the dielectric. Work done in collaboration with P. García, M. Verissimo-Alves, D. I. Bilc, and Ph. Ghosez. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes.'' The authors thankfully acknowledge the computer resources, technical expertise and assistance provided by the BSC/RES.

Characterization of the electronic properties of YB{sub 12}, ZrB{sub 12}, and LuB{sub 12} using {sup 11}B NMR and first-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Jaeger, B [Institut fuer Physikalische Chemie, Universitaet Wien, Waehringer Strasse 42, 1090 Vienna (Austria); Paluch, S [Institute for Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wroclaw (Poland); Zogal, O J [Institute for Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wroclaw (Poland); Wolf, W [Materials Design s. a. r. l., 44, avenue F.-A. Bartholdi, 72000 Le Mans (France); Herzig, P [Institut fuer Physikalische Chemie, Universitaet Wien, Waehringer Strasse 42, 1090 Vienna (Austria); Filippov, V B [Institute for Problems of Materials Science, Academy of Sciences of Ukraine, 3 Krzhyzhanovsky street, 03680 Kiev, Ukraine (Ukraine); Shitsevalova, N [Institute for Problems of Materials Science, Academy of Sciences of Ukraine, 3 Krzhyzhanovsky street, 03680 Kiev, Ukraine (Ukraine); Paderno, Y [Institute for Problems of Materials Science, Academy of Sciences of Ukraine, 3 Krzhyzhanovsky street, 03680 Kiev, Ukraine (Ukraine)

2006-03-01

Three metallic dodecaborides, YB{sub 12}, ZrB{sub 12} and LuB{sub 12}, have been investigated by electric-field gradient (EFG) measurements at the boron sites using the {sup 11}B nuclear magnetic resonance (NMR) technique and by performing first-principles calculations. The NMR powder spectra reveal patterns typical for a completely asymmetric EFG tensor, i.e., an {eta} parameter close to unity. The absolute values of V{sub zz} (the largest component of the EFG) are determined from the spectra and they range between 11 x 10{sup 20} V m{sup -2} and 11.6 x 10{sup 20} V m{sup -2} with an uncertainty of 0.8 x 10{sup 20} V m{sup -2}, being in very good agreement with the first-principles results. In addition the electronic structure and chemical bonding are analysed from partial densities of states and electron densities.

First-principles investigation of mechanical and electronic properties of LaAg5 Laves phase under pressure

Institute of Scientific and Technical Information of China (English)

高恩强; 黄福祥; 陈志谦; 王兰兰; 张照超

2016-01-01

The effects of applied pressure on the structural, mechanical, and electronic properties of LaAg5 compound were investi-gated employing the first-principles method based on the density functional theory. The mechanical results demonstrated that bulk modulus, shear modulus and Young’s modulus presented the linearly increasing dependences on the external pressure; theB/G and Poisson’s ratio indicated that LaAg5 compound was a ductile material with central forces in interatomic under pressure from 0 to 40 GPa; the universal anisotropic index was performed to investigate the elastic anisotropic of LaAg5. Additionally, the pressure de-pendence of the density of states and Mulliken charge were also discussed. The bonding characterization in LaAg5 was composed of metallic, covalent and ionic. The metallic component was derived from free-electron transferring from Ag-s and Ag-d to Ag-p, and from La-s to La-d. The ionic component was due to the charge movement from La to Ag. The covalent was owing to Ag-p-La-d bonding hybridization and Ag-s-Ag-p in the Ag atomic chains. The covalent and ionic bonds were stronger under pressure but there was no significant change in metallic nature.

Environmental scan and evaluation of best practices for online systematic review resources.

Science.gov (United States)

Parker, Robin M N; Boulos, Leah M; Visintini, Sarah; Ritchie, Krista; Hayden, Jill

2018-04-01

Online training for systematic review methodology is an attractive option due to flexibility and limited availability of in-person instruction. Librarians often direct new reviewers to these online resources, so they should be knowledgeable about the variety of available resources. The objective for this project was to conduct an environmental scan of online systematic review training resources and evaluate those identified resources. The authors systematically searched for electronic learning resources pertaining to systematic review methods. After screening for inclusion, we collected data about characteristics of training resources and assigned scores in the domains of (1) content, (2) design, (3) interactivity, and (4) usability by applying a previously published evaluation rubric for online instruction modules. We described the characteristics and scores for each training resource and compared performance across the domains. Twenty training resources were evaluated. Average overall score of online instructional resources was 61%. Online courses (n=7) averaged 73%, web modules (n=5) 64%, and videos (n=8) 48%. The top 5 highest scoring resources were in course or web module format, featured high interactivity, and required a longer (>5hrs) time commitment from users. This study revealed that resources include appropriate content but are less likely to adhere to principles of online training design and interactivity. Awareness of these resources will allow librarians to make informed recommendations for training based on patrons' needs. Future online systematic review training resources should use established best practices for e-learning to provide high-quality resources, regardless of format or user time commitment.

First Principles Study of Electronic and Magnetic Structures in Double Perovskites

Science.gov (United States)

Ball, Molly

At present, electronic devices are reaching their storage and processing limit causing a major push to find materials that can be used in the next generation of devices. Double perovskites with A2BB'O 6 stoichiometry form one of the leading classes of materials currently being studied as a potential candidate because of their extremely wide range and tunability of functional properties, along with economic and highly scalable synthesis routes. Having a thorough understanding of their electronic and magnetic structure and their dependence on composition and local structure is the basis for targeted development of novel and optimized double perovskites. While the body of knowledge and rules within the field of materials chemistry has enabled many previous discoveries, recent developments within density functional theory (DFT) allow by now a rather realistic description of the electronic and magnetic properties of materials and especially identification of their origin from geometry and orbital structure. This thesis details computational work based on DFT within several collaborative studies to better understand the electronic and magnetic properties of double perovskites and related materials that show promise for future use in multifunctional devices. First, we will begin with a general introduction to the double perovskite structure, their properties, and the computational methods used to study them. In the next section, we will look at the case of the antiferromagnetic, insulating double perovskite Sr2CoOsO6, where measurements showed that the transition metal ions in the two sublattices undergo magnetic ordering independently of each other, indicating weak magnetic short-range coupling and a dominance of longer-range interactions, which has previously not been observed. Here, we performed DFT calculations to extract the exchange strengths between the ions and explain this unique dominance of the long-range interactions. Then, we will look at studies done on thin

The Electronic Properties of O-Doped Pure and Sulfur Vacancy-Defect Monolayer WS₂: A First-Principles Study.

Science.gov (United States)

Wang, Weidong; Bai, Liwen; Yang, Chenguang; Fan, Kangqi; Xie, Yong; Li, Minglin

2018-01-31

Based on the density functional theory (DFT), the electronic properties of O-doped pure and sulfur vacancy-defect monolayer WS₂ are investigated by using the first-principles method. For the O-doped pure monolayer WS₂, four sizes (2 × 2 × 1, 3 × 3 × 1, 4 × 4 × 1 and 5 × 5 × 1) of supercell are discussed to probe the effects of O doping concentration on the electronic structure. For the 2 × 2 × 1 supercell with 12.5% O doping concentration, the band gap of O-doped pure WS₂ is reduced by 8.9% displaying an indirect band gap. The band gaps in 3 × 3 × 1 and 4 × 4 × 1 supercells are both opened to some extent, respectively, for 5.55% and 3.13% O doping concentrations, while the band gap in 5 × 5 × 1 supercell with 2.0% O doping concentration is quite close to that of the pure monolayer WS₂. Then, two typical point defects, including sulfur single-vacancy (V S ) and sulfur divacancy (V 2S ), are introduced to probe the influences of O doping on the electronic properties of WS₂ monolayers. The observations from DFT calculations show that O doping can broaden the band gap of monolayer WS₂ with V S defect to a certain degree, but weaken the band gap of monolayer WS₂ with V 2S defect. Doping O element into either pure or sulfur vacancy-defect monolayer WS₂ cannot change their band gaps significantly, however, it still can be regarded as a potential method to slightly tune the electronic properties of monolayer WS₂.

Y-12 Sustainable Design Principles for Building Design and Construction

Energy Technology Data Exchange (ETDEWEB)

Jackson, J. G.

2008-11-01

B&W Y-12 is committed to modernizing the Y-12 complex to meet future needs with a sustainable and responsive infrastructure and to integrating sustainability principles and practices into Y-12 work (Y72-001, B&W Y-12 Environmental, Safety and Health Policy). This commitment to sustainability and specifically sustainable design of buildings is also incorporated into Presidential Executive Orders (EO), DOE Orders (DOE O), and goals. Sustainable building design is an approach to design, construct, and operate facilities in an efficient and environmentally sound manner that will produce a healthful, resource-efficient and productive working environment that is inherently protective of the environment. The DOE has established the following 5 Guiding Principles for High Performance Sustainable Building (HPSB), and has issued directives that require Y-12 to incorporate the principles and a number of supporting specific practices and techniques into building design, construction and renovation projects: (1) Employ Integrated Design Principles; (2) Optimize Energy Performance; (3) Protect and Conserve Water; (4) Enhance Indoor Environmental Quality; and (5) Reduce Environmental Impact of Materials. The purpose of this document is to present the required sustainable building principles, practices and techniques, summarize the key drivers for incorporating them into Y-12 projects, and present additional recommendations and resources that can be used to support sustainable buildings to enhance the environmental and economic performance of the Y-12 Complex.

Principles of modern radar systems

CERN Document Server

Carpentier, Michel H

1988-01-01

Introduction to random functions ; signal and noise : the ideal receiver ; performance of radar systems equipped with ideal receivers ; analysis of the operating principles of some types of radar ; behavior of real targets, fluctuation of targets ; angle measurement using radar ; data processing of radar information, radar coverage ; applications to electronic scanning antennas to radar ; introduction to Hilbert spaces.

Mechanical, electronic, and optical properties of β-B{sub 6}O. First-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Yang, Ruike; Ma, Shaowei; Wei, Qun [Xidian Univ., Shaanxi (China). School of Physics and Optoelectronic Engineering; Du, Zheng [National Supercomputing Center in Shenzhen, Shenzhen (China)

2017-07-01

The mechanical, electronic, and optical properties of β-B{sub 6}O are calculated by first-principles. The structural optimization and all properties are calculated by the method of generalized gradient approximation - Perdew, Burke and Ernzerhof (PBE). The hardness of β-B{sub 6}O is 39 GPa under a pressure of 0 GPa, which indicates that it belongs to a hard material. The band gap is indirect with a value of 1.836 eV, showing that β-B{sub 6}O is a semiconductor. The research of the electron localization function shows that the bonds of β-B{sub 6}O are covalent bonds, which can increase the stability of the compound. The phonon dispersion curves present the dynamical stability of β-B{sub 6}O under pressures of 0 and 50 GPa. The optical properties of β-B{sub 6}O are also calculated. In the energy range from 0 to 18 eV, β-B{sub 6}O presents high reflectivity; it has a strong absorption in the energy range from 3 to 18 eV. The refractive index results show that light propagates through the β-B{sub 6}O in a difficult manner in the energy range from 6.9 to 16.5 eV. In addition, the energy of the plasma frequency for β-B{sub 6}O is 16.6 eV and the peak value of the loss function is 13.6. These properties provide the basis for the development and application of β-B{sub 6}O.

A first principle calculation of anisotropic elastic, mechanical and electronic properties of TiB

Science.gov (United States)

Zhang, Junqin; Zhao, Bin; Ma, Huihui; Wei, Qun; Yang, Yintang

2018-04-01

The structural, mechanical and electronic properties of the NaCl-type structure TiB are theoretically calculated based on the first principles. The density of states of TiB shows obvious density peaks at -0.70eV. Furthermore, there exists a pseudogap at 0.71eV to the right of the Fermi level. The calculated structural and mechanical parameters (i.e., bulk modulus, shear modulus, Young's modulus, Poisson's ratio and universal elastic anisotropy index) were in good agreement both with the previously reported experimental values and theoretical results at zero pressure. The mechanical stability criterion proves that TiB at zero pressure is mechanistically stable and exhibits ductility. The universal anisotropic index and the 3D graphics of Young's modulus are also given in this paper, which indicates that TiB is anisotropy under zero pressure. Moreover, the effects of applied pressures on the structural, mechanical and anisotropic elastic of TiB were studied in the range from 0 to 100GPa. It was found that ductility and anisotropy of TiB were enhanced with the increase of pressure.

Anomalous doping effect in black phosphorene from first-principles calculations

OpenAIRE

Yu, Weiyang; Zhu, Zhili; Niu, Chun-Yao; Li, Chong; Cho, Jun-Hyung; Jia, Yu

2014-01-01

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find that the electronic properties of phosphorene are drastically modified by the number of valence electrons in dopant atoms. The dopants with even number of valence electrons enable the doped phosphorenes to have a metallic feature, while the dopants with odd...

Design and evaluation of an integrated safeguards system: principles

International Nuclear Information System (INIS)

Markin, J.T.; Coulter, C.A.; Gutmacher, R.G.; Whitty, W.J.

1984-07-01

An integrated safeguards system is defined as a collection of safeguards activities in which system components are coordinated to meet safeguards objectives efficiently within constraints imposed by safeguards resources, facility operations, potential adversaries, and regulatory requirements. This paper describes principles for designing and evaluating an integrated safeguards system that consists of four parts: (1) a problem definition phase that specifies resources and constraints composing the problem boundary values; (2) a system analysis/synthesis phase that describes how to select and integrate safeguards activities for efficient attainment of system objectives; (3) a system evaluation/optimization phase that defines measures of safeguards performance and develops methods for evaluating them; and (4) a decision-making phase that develops principles for selecting admissible designs and preference-ordering designs. 6 references, 4 figures, 5 tables

Resource interaction in relation to power: how startups strategize to cope with the challenges of mobilizing and leveraging resources in asymmetrical power relationships

NARCIS (Netherlands)

Oukes, Tamara; von Raesfeld Meijer, Ariane M.

2014-01-01

The resource interaction approach provides a set of basic principles concerning how resources interact at a network level. This paper further elaborates on the resource interaction approach by investigating the role of power in the technological development of a medical device over time. In the

First principles investigation of structural, electronic, elastic and thermal properties of rare-earth-doped titanate Ln2TiO5

Directory of Open Access Journals (Sweden)

Hui Niu

2012-09-01

Full Text Available Systematic first-principles calculations based on density functional theory were performed on a wide range of Ln2TiO5 compositions (Ln = La, Ce, Pr, Nd, Sm, Gd, Tb, Dy and Y in order to investigate their structural, elastic, electronic, and thermal properties. At low temperature, these compounds crystallize in orthorhombic structures with a Pnma symmetry, and the calculated equilibrium structural parameters agree well with experimental results. A complete set of elastic parameters including elastic constants, Hill's bulk moduli, Young's moduli, shear moduli and Poisson's ratio were calculated. All Ln2TiO5 are ductile in nature. Analysis of densities of states and charge densities and electron localization functions suggests that the oxide bonds are highly ionic with some degree of covalency in the Ti-O bonds. Thermal properties including the mean sound velocity, Debye temperature, and minimum thermal conductivity were obtained from the elastic constants.

Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study.

Science.gov (United States)

Azam, Mohd Asyadi; Alias, Farizul Muiz; Tack, Liew Weng; Seman, Raja Noor Amalina Raja; Taib, Mohamad Fariz Mohamad

2017-08-01

Carbon nanotubes (CNTs) have received enormous attention due to their fascinating properties to be used in various applications including electronics, sensing, energy storage and conversion. The first principles calculations within density functional theory (DFT) have been carried out in order to investigate the structural, electronic and optical properties of un-doped and doped CNT nanostructures. O 2 , CO 2 , and CH 3 OH have been chosen as gas molecules to study the adsorption properties based on zigzag (8,0) SWCNTs. The results demonstrate that the adsorption of O 2 , CO 2, and CH 3 OH gas molecules on pristine, Si-doped and B-doped SWCNTs are either physisorption or chemisorption. Moreover, the electronic properties indicating SWCNT shows significant improvement toward gas adsorption which provides the impact of selecting the best gas sensor materials towards detecting gas molecule. Therefore, these pristine, Si-, and B-doped SWCNTs can be considered to be very good potential candidates for sensing application. Copyright © 2017 Elsevier Inc. All rights reserved.

Directionality Theory and the Entropic Principle of Natural Selection

Directory of Open Access Journals (Sweden)

Lloyd A. Demetrius

2014-10-01

Full Text Available Darwinian fitness describes the capacity of an organism to appropriate resources from the environment and to convert these resources into net-offspring production. Studies of competition between related types indicate that fitness is analytically described by entropy, a statistical measure which is positively correlated with population stability, and describes the number of accessible pathways of energy flow between the individuals in the population. Directionality theory is a mathematical model of the evolutionary process based on the concept evolutionary entropy as the measure of fitness. The theory predicts that the changes which occur as a population evolves from one non-equilibrium steady state to another are described by the following directionality principle–fundamental theorem of evolution: (a an increase in evolutionary entropy when resource composition is diverse, and resource abundance constant; (b a decrease in evolutionary entropy when resource composition is singular, and resource abundance variable. Evolutionary entropy characterizes the dynamics of energy flow between the individual elements in various classes of biological networks: (a where the units are individuals parameterized by age, and their age-specific fecundity and mortality; where the units are metabolites, and the transitions are the biochemical reactions that convert substrates to products; (c where the units are social groups, and the forces are the cooperative and competitive interactions between the individual groups. % This article reviews the analytical basis of the evolutionary entropic principle, and describes applications of directionality theory to the study of evolutionary dynamics in two biological systems; (i social networks–the evolution of cooperation; (ii metabolic networks–the evolution of body size. Statistical thermodynamics is a mathematical model of macroscopic behavior in inanimate matter based on entropy, a statistical measure which

First-principles calculation of the structure and electronic properties of Fe-substituted Bi2Ti2O7

Science.gov (United States)

Huang, Jin-Dou; Zhang, Zhenyi; Lin, Feng; Dong, Bin

2017-12-01

We performed first-principles calculations to investigate the formation energy, geometry structure, and electronic property of Fe-doped Bi2Ti2O7 systems with different Fe doping content. The calculated formation energies indicate that the substitutional configurations of Fe-doping Bi2Ti2O7 are easy to obtain under O-rich growth condition, but their thermodynamic stability decreases with the increase of Fe content. The calculated spin-resolved density of states and band structures indicate that the introduction of Fe into Bi2Ti2O7 brings high spin polarization. The spin-down impurity levels in Fe x Bi2-x Ti2O7 and spin-up impurity levels in Fe x Bi2Ti2-x O7 systems locate in the bottom of conduction band and narrow the band gap significantly, thus leading to the absorption of visible light. Interestingly, the impurity states in Fe x Bi2-x Ti2O7 are the efficient separation center of photogenerated electron and hole, and less affected by Fe doping content, in comparison, the levels of impurity band in Fe x Bi2Ti2-x O7 systems are largely effected by the Fe doping content, and high Fe doping content is the key factor to improve the separating rate of photogenerated electron and hole.

Basic Principle of Advanced Oxidation Technology : Hybrid Technology Based on Ozone and Titania

International Nuclear Information System (INIS)

Widdi Usada; Agus Purwadi

2007-01-01

One of problems in health environment is organic liquid waste from many pollutant resources. Environmental friendly technology for degrading this waste is ozone which produced by plasma discharge technology, but its capability is limited. However, it is needed a new environmental friendly technology which has stronger capability. This new technology is so called advanced oxidation technology. Advanced oxidation technology is a hybrid of ozone, peroxide, UV light and photo catalyst. In this paper, it is introduced basic principle of hybrid of ozone and titania photo catalyst semiconductor. The capability of organic liquid degradation will be stronger because there is new radical which is produced by chemical reaction between electron-hole pair from photo catalyst titania and water or oxygen. This new radical then degrades this organic pollutant. This technology is used to degrade phenol. (author)

Using mobile electronic devices to deliver educational resources in developing countries.

Science.gov (United States)

Mazal, Jonathan Robert; Ludwig, Rebecca

2015-01-01

Developing countries have far fewer trained radiography professionals than developed countries, which exacerbates the limited access to imaging services. The lack of trained radiographers reflects, in part, limited availability of radiographer-specific educational resources. Historically, organizations that provided such resources in the developing world faced challenges related to the limited stock of current materials as well as expenses associated with shipping and delivery. Four mobile electronic devices (MEDs) were loaded with educational content (e-books, PDFs, and digital applications) spanning major radiography topics. The MEDs were distributed to 4 imaging departments in Ghana, India, Nepal, and Nigeria based on evidence of need for radiography-specific resources, as revealed by survey responses. A cost comparison of postal delivery vs digital delivery of educational content was performed. The effectiveness of delivering additional content via Wi-Fi transmission also was evaluated. Feedback was solicited on users' experience with the MEDs as a delivery tool for educational content. An initial average per e-book expense of $30.05, which included the cost of the device, was calculated for the MED delivery method compared with $15.56 for postal delivery of printed materials. The cost of the MED delivery method was reduced to an average of $10.05 for subsequent e-book deliveries. Additional content was successfully delivered via Wi-Fi transmission to all recipients during the 3-month follow-up period. Overall user feedback on the experience was positive, and ideas for enhancing the MED-based method were identified. Using MEDs to deliver radiography-specific educational content appears to be more cost effective than postal delivery of printed materials on a long-term basis. MEDs are more efficient for providing updates to educational materials. Customization of content to department needs, and using projector devices could enhance the usefulness of MEDs for

First-principle study of the electronic band structure and the effective mass of the ternary alloy GaxIn1-xP

Science.gov (United States)

Yang, H. Q.; Song, T. L.; Liang, X. X.; Zhao, G. J.

2015-01-01

In this work, the electronic band structure and the effective mass of the ternary alloy GaxIn1-xP are studied by the first principle calculations. The software QUANTUM ESPRESSO and the generalized gradient approximation (GGA) for the exchange correlations have been used in the calculations. We calculate the lattice parameter, band gap and effective mass of the ternary alloy GaxIn1-xP for the Ga composition x varying from 0.0 to 1.0 by the step of 0.125. The effect of the Ga composition on the lattice parameter and the electronic density of states are discussed. The results show that the lattice parameter varies with the composition almost linearly following the Vegard's law. A direct-to-indirect band-gap crossover is found to occur close to x = 0.7. The effective masses are also calculated at Γ(000) high symmetry point along the [100] direction. The results show that the band gap and the electron effective mass vary nonlinearly with composition x.

Evolutionary principles and their practical application.

Science.gov (United States)

Hendry, Andrew P; Kinnison, Michael T; Heino, Mikko; Day, Troy; Smith, Thomas B; Fitt, Gary; Bergstrom, Carl T; Oakeshott, John; Jørgensen, Peter S; Zalucki, Myron P; Gilchrist, George; Southerton, Simon; Sih, Andrew; Strauss, Sharon; Denison, Robert F; Carroll, Scott P

2011-03-01

Evolutionary principles are now routinely incorporated into medicine and agriculture. Examples include the design of treatments that slow the evolution of resistance by weeds, pests, and pathogens, and the design of breeding programs that maximize crop yield or quality. Evolutionary principles are also increasingly incorporated into conservation biology, natural resource management, and environmental science. Examples include the protection of small and isolated populations from inbreeding depression, the identification of key traits involved in adaptation to climate change, the design of harvesting regimes that minimize unwanted life-history evolution, and the setting of conservation priorities based on populations, species, or communities that harbor the greatest evolutionary diversity and potential. The adoption of evolutionary principles has proceeded somewhat independently in these different fields, even though the underlying fundamental concepts are the same. We explore these fundamental concepts under four main themes: variation, selection, connectivity, and eco-evolutionary dynamics. Within each theme, we present several key evolutionary principles and illustrate their use in addressing applied problems. We hope that the resulting primer of evolutionary concepts and their practical utility helps to advance a unified multidisciplinary field of applied evolutionary biology.

Rare earth monopnictides and monochalcogenides from first principles: towards an electronic phase diagram of strongly correlated materials

DEFF Research Database (Denmark)

Petit, Leon; Tyer, R.; Szotek, Z.

2010-01-01

calculated to within ~1.5% of the experimental values, and its ability to describe localization phenomena in solids, makes it a competitive atomistic simulation approach in the search for and design of new materials with specific physical properties and possible technological applications....... and exhibiting valency transitions brought about by a complex interplay between ligand chemistry and lanthanide contraction. The calculations exploit the combined effect of a first-principles methodology, which can adequately describe the dual character of electrons, itinerant versus localized, and high......-throughput computing made possible by the increasing available computational power. Our findings, including the predicted 'intermediate valent' compounds SmO and TmSe, are in excellent overall agreement with the available experimental data. The accuracy of the approach, proven e.g. through the lattice parameters...

Bioethics Consultations and Resources

OpenAIRE

Thomas, Jennie

2011-01-01

Making difficult healthcare decisions is often helped by consultation with a bioethics committee. This article reviews the main bioethics principles, when it is appropriate and how to call a bioethics consult, ethical concerns, and members of the consult team. Bioethics resources are included.

Success criteria for electronic medical record implementations in low-resource settings: a systematic review.

Science.gov (United States)

Fritz, Fleur; Tilahun, Binyam; Dugas, Martin

2015-03-01

Electronic medical record (EMR) systems have the potential of supporting clinical work by providing the right information at the right time to the right people and thus make efficient use of resources. This is especially important in low-resource settings where reliable data are also needed to support public health and local supporting organizations. In this systematic literature review, our objectives are to identify and collect literature about success criteria of EMR implementations in low-resource settings and to summarize them into recommendations. Our search strategy relied on PubMed queries and manual bibliography reviews. Studies were included if EMR implementations in low-resource settings were described. The extracted success criteria and measurements were summarized into 7 categories: ethical, financial, functionality, organizational, political, technical, and training. We collected 381 success criteria with 229 measurements from 47 articles out of 223 articles. Most papers were evaluations or lessons learned from African countries, published from 1999 to 2013. Almost half of the EMR systems served a specific disease area like human immunodeficiency virus (HIV). The majority of criteria that were reported dealt with the functionality, followed by organizational issues, and technical infrastructures. Sufficient training and skilled personnel were mentioned in roughly 10%. Political, ethical, and financial considerations did not play a predominant role. More evaluations based on reliable frameworks are needed. Highly reliable data handling methods, human resources and effective project management, as well as technical architecture and infrastructure are all key factors for successful EMR implementation. © The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

First-principles study of SnS electronic properties using LDA, PBE and HSE06 functionals

Science.gov (United States)

Ibragimova, R.; Ganchenkova, M.; Karazhanov, S.; Marstein, E. S.

2018-03-01

Recently, tin sulphide (SnS) has emerged as a promising alternative to conventional CIGS and CZTC for use in solar cells, possessing such properties as non-toxicity, low cost and production stability. SnS has a high theoretically predicted efficiency above 20%, but the experimentally achieved efficiency so far is as low as 4.36%. The reason for the low achieved efficiency is unclear. One of the powerful tools to get deeper insights about the nature of the problem is first-principles calculation approaches. That is why SnS has become an attractive subject for first-principles calculations recently. Previously calculated data, however, show a widespread of such fundamental value as the bandgap varying from 0.26 to 1.26 eV. In order to understand a reason for that, in this work, we concentrate on a systematic study of calculation parameters effects on the resulting electronic structure, with the particular attention paid to the influence of the exchange-correlation functional chosen for calculations. Several exchange-correlation functionals (LDA, PBE and HSE06) were considered. The systematic analysis has shown that the bandgap variation can result from a tensile/compressive hydrostatic pressure introduced by non-equilibrium lattice parameters used for the calculations. The study of the applicability of three functionals has shown that HSE06 gives the best match to both experimentally obtained bandgap and the XPS valence band spectra. LDA underestimates the bandgap but qualitatively reproduces experimentally measured valence DOS similar to that of HSE06 in contrast to PBE. PBE underestimates the bandgap and does not match to the measured XPS spectra.

Quantum electronics maser amplifiers and oscillators

CERN Document Server

Fain, V M; Sanders, J H

2013-01-01

Quantum Electronics, Volume 2: Maser Amplifiers and Oscillators deals with the experimental and theoretical aspects of maser amplifiers and oscillators which are based on the principles of quantum electronics. It shows how the concepts and equations used in quantum electronics follow from the basic principles of theoretical physics.Comprised of three chapters, this volume begins with a discussion on the elements of the theory of quantum oscillators and amplifiers working in the microwave region, along with the practical achievements in this field. Attention is paid to two-level paramagnetic ma

Structural, electronic and optical properties of silver delafossite oxides: A first-principles study with hybrid functional

International Nuclear Information System (INIS)

Kumar, Mukesh; Persson, Clas

2013-01-01

Ternary delafossite compounds are potential materials for optoelectronic devices. Employing a first-principles method, we calculate the structural, electronic, and optical properties of the silver based compounds AgMO 2 (M=Al, Ga or In), which crystallize in delafossite structure. Our calculations show that these AgMO 2 oxides have indirect band gaps and the gap energies are in the region of 1.6–3.0 eV whereas, the lowest direct band gap energies are estimated in the range of 2.6–4.3 eV. Furthermore, we find that AgMO 2 compounds exhibit a strong anisotropy for the dielectric function and absorption spectra. The absorption onset for these compounds occurs well above the band gap energies. Overall, we show that the hybrid functional improves the lattice parameters and band gap energies and the calculated values are in good agreement with the experimental values

First-principles molecular dynamics for metals

International Nuclear Information System (INIS)

Fernando, G.W.; Qian, G.; Weinert, M.; Davenport, J.W.

1989-01-01

A Car-Parrinello-type first-principles molecular-dynamics approach capable of treating the partial occupancy of electronic states that occurs at the Fermi level in a metal is presented. The algorithms used to study metals are both simple and computationally efficient. We also discuss the connection between ordinary electronic-structure calculations and molecular-dynamics simulations as well as the role of Brillouin-zone sampling. This extension should be useful not only for metallic solids but also for solids that become metals in their liquid and/or amorphous phases

First Principles Study of Electron Tunneling through Ice

KAUST Repository

Cucinotta, Clotilde S.; Rungger, Ivan; Sanvito, Stefano

2012-01-01

With the aim of understanding electrochemical scanning tunnel microscopy experiments in an aqueous environment, we investigate electron transport through ice in the coherent limit. This is done by using the nonequilibrium Greens functions method, implemented within density functional theory, in the self-interaction corrected local density approximation. In particular, we explore different ice structures and different Au electrode surface orientations. By comparing the decay coefficient for different thicknesses to the ice complex band structure, we find that the electron transport occurs via tunneling with almost one-dimensional character. The slow decay of the current with the ice thickness is largely due to the small effective mass of the conduction electrons. Furthermore, we find that the calculated tunneling decay coefficients at the Fermi energy are not sensitive to the structural details of the junctions and are at the upper end of the experimental range for liquid water. This suggests that linear response transport measurements are not capable of distinguishing between different ordered ice structures. However, we also demonstrate that a finite bias measurement may be capable of sorting polar from nonpolar interfaces due to the asymmetry of the current-voltage curves for polar interfaces. © 2012 American Chemical Society.

First Principles Study of Electron Tunneling through Ice

KAUST Repository

Cucinotta, Clotilde S.

2012-10-25

With the aim of understanding electrochemical scanning tunnel microscopy experiments in an aqueous environment, we investigate electron transport through ice in the coherent limit. This is done by using the nonequilibrium Greens functions method, implemented within density functional theory, in the self-interaction corrected local density approximation. In particular, we explore different ice structures and different Au electrode surface orientations. By comparing the decay coefficient for different thicknesses to the ice complex band structure, we find that the electron transport occurs via tunneling with almost one-dimensional character. The slow decay of the current with the ice thickness is largely due to the small effective mass of the conduction electrons. Furthermore, we find that the calculated tunneling decay coefficients at the Fermi energy are not sensitive to the structural details of the junctions and are at the upper end of the experimental range for liquid water. This suggests that linear response transport measurements are not capable of distinguishing between different ordered ice structures. However, we also demonstrate that a finite bias measurement may be capable of sorting polar from nonpolar interfaces due to the asymmetry of the current-voltage curves for polar interfaces. © 2012 American Chemical Society.

FEL-principles, techniques and its progress

International Nuclear Information System (INIS)

Zhao Xiaofeng; Yang Fujia

1992-01-01

The basic principles of free electron laser (FEL) and its operation modes are presented. The state of the art is described for accelerator technology and laser systems. Some comparisons are made between FEL and conventional laser with regard to power capability, short-wavelength operation, and tunability. The application prospects of FEL are discussed

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry.

Science.gov (United States)

Nakata, Maho; Shimazaki, Tomomi

2017-06-26

Large-scale molecular databases play an essential role in the investigation of various subjects such as the development of organic materials, in silico drug design, and data-driven studies with machine learning. We have developed a large-scale quantum chemistry database based on first-principles methods. Our database currently contains the ground-state electronic structures of 3 million molecules based on density functional theory (DFT) at the B3LYP/6-31G* level, and we successively calculated 10 low-lying excited states of over 2 million molecules via time-dependent DFT with the B3LYP functional and the 6-31+G* basis set. To select the molecules calculated in our project, we referred to the PubChem Project, which was used as the source of the molecular structures in short strings using the InChI and SMILES representations. Accordingly, we have named our quantum chemistry database project "PubChemQC" ( http://pubchemqc.riken.jp/ ) and placed it in the public domain. In this paper, we show the fundamental features of the PubChemQC database and discuss the techniques used to construct the data set for large-scale quantum chemistry calculations. We also present a machine learning approach to predict the electronic structure of molecules as an example to demonstrate the suitability of the large-scale quantum chemistry database.

The Principle of the Micro-Electronic Neural Bridge and a Prototype System Design.

Science.gov (United States)

Huang, Zong-Hao; Wang, Zhi-Gong; Lu, Xiao-Ying; Li, Wen-Yuan; Zhou, Yu-Xuan; Shen, Xiao-Yan; Zhao, Xin-Tai

2016-01-01

The micro-electronic neural bridge (MENB) aims to rebuild lost motor function of paralyzed humans by routing movement-related signals from the brain, around the damage part in the spinal cord, to the external effectors. This study focused on the prototype system design of the MENB, including the principle of the MENB, the neural signal detecting circuit and the functional electrical stimulation (FES) circuit design, and the spike detecting and sorting algorithm. In this study, we developed a novel improved amplitude threshold spike detecting method based on variable forward difference threshold for both training and bridging phase. The discrete wavelet transform (DWT), a new level feature coefficient selection method based on Lilliefors test, and the k-means clustering method based on Mahalanobis distance were used for spike sorting. A real-time online spike detecting and sorting algorithm based on DWT and Euclidean distance was also implemented for the bridging phase. Tested by the data sets available at Caltech, in the training phase, the average sensitivity, specificity, and clustering accuracies are 99.43%, 97.83%, and 95.45%, respectively. Validated by the three-fold cross-validation method, the average sensitivity, specificity, and classification accuracy are 99.43%, 97.70%, and 96.46%, respectively.

The simplicity principle in perception and cognition.

Science.gov (United States)

Feldman, Jacob

2016-09-01

The simplicity principle, traditionally referred to as Occam's razor, is the idea that simpler explanations of observations should be preferred to more complex ones. In recent decades the principle has been clarified via the incorporation of modern notions of computation and probability, allowing a more precise understanding of how exactly complexity minimization facilitates inference. The simplicity principle has found many applications in modern cognitive science, in contexts as diverse as perception, categorization, reasoning, and neuroscience. In all these areas, the common idea is that the mind seeks the simplest available interpretation of observations- or, more precisely, that it balances a bias toward simplicity with a somewhat opposed constraint to choose models consistent with perceptual or cognitive observations. This brief tutorial surveys some of the uses of the simplicity principle across cognitive science, emphasizing how complexity minimization in a number of forms has been incorporated into probabilistic models of inference. WIREs Cogn Sci 2016, 7:330-340. doi: 10.1002/wcs.1406 For further resources related to this article, please visit the WIREs website. © 2016 Wiley Periodicals, Inc.

First-principles calculations of the electronic structure and optical properties of K1−xNaxTaO3 (x=0, 0.25, 0.5, 0.75, 1)

International Nuclear Information System (INIS)

Zhao, Na; Wang, Yue-Hua; Wang, Qing-Xi; Hu, Wen-Jing

2012-01-01

The first-principles calculations are performed to investigate the cubic phase composite K 1−x Na x TaO 3 (x=0, 0.25, 0.5, 0.75, 1), by using density functional theory (DFT) with the full potential linearized augmented plane wave (FP-LAPW) method. The energy band structures, density of states (DOS), electron density and optical properties are obtained. The results show that Na ion plays an important role in K 1−x Na x TaO 3 . With the content of Na ion increasing, the changes of lattice parameters, energy gaps, bond lengths and optical properties of K 1−x Na x TaO 3 are regular. Moreover, the dependence of ferroelectric photocatalysis on both optical properties and internal electronic structure are analyzed in detail. It is proposed that the doped materials are promising photocatalytic materials. - Graphical abstract: The density of states (DOS) of K 1−x Na x TaO 3 (x=0.5). Highlights: ► The first-principles calculations are performed, by using DFT with FP-LAPW method. ► The changes of internal electronic structure and optical property of doped materials are regular. ► The dependence of ferroelectric photocatalysis on optical properties is analyzed. ► The dependence of ferroelectric photocatalysis on internal electronic structure is analyzed. ► The doped materials are promising photocatalytic materials.

Structural, mechanical and electronic properties of OsTM and TMOs{sub 2} (TM = Ti, Zr and Hf): First-principles calculations

Energy Technology Data Exchange (ETDEWEB)

Liu, Qi-Jun, E-mail: qijunliu@home.swjtu.edu.cn [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Zhang, Ning-Chao; Liu, Fu-Sheng [Bond and Band Engineering Group, Institute of High Temperature and High Pressure Physics, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Liu, Zheng-Tang [State Key Laboratory of Solidification Processing, School of Materials Science and Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi 710072 (China)

2014-03-15

Highlights: • OsTM and TMOs{sub 2} compounds have no superhard character. • These compounds are mechanically stable and behave in ductile manner. • OsTM has a mixture of covalent-ionic and metallic character. -- Abstract: The first-principles calculations have been performed to study the structural, elastic, mechanical and electronic properties of cubic OsTM (TM = Ti, Zr, and Hf) and hexagonal TMOs{sub 2} compounds. The calculated structural parameters are in good agreement with the available experimental data. To the best of our knowledge, the elastic constants of OsTM and TMOs{sub 2} compounds have been obtained for the first time. The calculated elastic and mechanical properties show that these compounds have no superhard character. These compounds are mechanically stable and behave in ductile manner. The electronic band structures and densities of states of OsTM and TMOs{sub 2} compounds have been analysed. OsTM has a mixture of covalent-ionic and metallic character, and TMOs{sub 2} has strong metallic nature.

First principles study of the electronic properties and band gap modulation of two-dimensional phosphorene monolayer: Effect of strain engineering

Science.gov (United States)

Phuc, Huynh V.; Hieu, Nguyen N.; Ilyasov, Victor V.; Phuong, Le T. T.; Nguyen, Chuong V.

2018-06-01

The effect of strain on the structural and electronic properties of monolayer phosphorene is studied by using first-principle calculations based on the density functional theory. The intra- and inter-bond length and bond angle for monolayer phosphorene is also evaluated. The intra- and inter-bond length and the bond angle for phosphorene show an opposite tendency under different directions of the applied strain. At the equilibrium state, monolayer phosphorene is a semiconductor with a direct band gap at the Γ-point of 0.91 eV. A direct-indirect band gap transition is found in monolayer phosphorene when both the compression and tensile strain are simultaneously applied along both zigzag and armchair directions. Under the applied compression strain, a semiconductor-metal transition for monolayer phosphorene is observed at -13% and -10% along armchair and zigzag direction, respectively. The direct-indirect and phase transition will largely constrain application of monolayer phosphorene to electronic and optical devices.

Principles of Mobile Communication

CERN Document Server

Stüber, Gordon L

2012-01-01

This mathematically rigorous overview of physical layer wireless communications is now in a third, fully revised and updated edition. Along with coverage of basic principles sufficient for novice students, the volume includes plenty of finer details that will satisfy the requirements of graduate students aiming to research the topic in depth. It also has a role as a handy reference for wireless engineers. The content stresses core principles that are applicable to a broad range of wireless standards. Beginning with a survey of the field that introduces an array of issues relevant to wireless communications and which traces the historical development of today’s accepted wireless standards, the book moves on to cover all the relevant discrete subjects, from radio propagation to error probability performance and cellular radio resource management. A valuable appendix provides a succinct and focused tutorial on probability and random processes, concepts widely used throughout the book. This new edition, revised...

Principles of mobile communication

CERN Document Server

Stüber, Gordon L

2017-01-01

This mathematically rigorous overview of physical layer wireless communications is now in a 4th, fully revised and updated edition. The new edition features new content on 4G cellular systems, 5G cellular outlook, bandpass signals and systems, and polarization, among many other topics, in addition to a new chapters on channel assignment techniques. Along with coverage of fundamentals and basic principles sufficient for novice students, the volume includes finer details that satisfy the requirements of graduate students aiming to conduct in-depth research. The book begins with a survey of the field, introducing issues relevant to wireless communications. The book moves on to cover relevant discrete subjects, from radio propagation, to error probability performance, and cellular radio resource management. An appendix provides a tutorial on probability and random processes. The content stresses core principles that are applicable to a broad range of wireless standards. New examples are provided throughout the bo...

Spin-polarized scanning electron microscopy

International Nuclear Information System (INIS)

Kohashi, Teruo

2014-01-01

Spin-Polarized Scanning Electron Microscopy (Spin SEM) is one way for observing magnetic domain structures taking advantage of the spin polarization of the secondary electrons emitted from a ferromagnetic sample. This principle brings us several excellent capabilities such as high-spatial resolution better than 10 nm, and analysis of magnetization direction in three dimensions. In this paper, the principle and the structure of the spin SEM is briefly introduced, and some examples of the spin SEM measurements are shown. (author)

The structural, elastic, electronic properties and Debye temperature of Ni3Mo under pressure from first-principles

International Nuclear Information System (INIS)

Qi, Lei; Jin, Yuchun; Zhao, Yuhong; Yang, Xiaomin; Zhao, Hui; Han, Peide

2015-01-01

Highlights: • Structural, elastic, electronic properties and Debye temperature under pressure. • Higher hardness of Ni 3 Mo compound may be obtained when pressure increases. • Proper pressure can improve the ductility but excess pressure was just the opposite. • Ni 3 Mo compound has no structural phase transformation under pressure up to 30 GPa. • Debye temperatures increase with increasing pressure. - Abstract: With the help of first principles method based on density functional theory, the structural, elastic, electronic properties and Debye temperature of Ni 3 Mo binary compound under pressure are investigated. Our calculated structural parameters are in good agreement with experimental and previous theoretical results. The obtained elastic constants show that Ni 3 Mo compound is mechanically stable. Elastic properties such as bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio υ are calculated by the Voigt–Reuss–Hill method. The results of B/G under various pressures show that proper pressure can improve the ductility of Ni 3 Mo but excess pressure will make the ductility decrease. In addition, the density of states as a function of pressure is analyzed. The Debye temperature Θ D calculated from elastic constants increases along with the pressure

First-Principle Predictions of Electronic Properties and Half-Metallic Ferromagnetism in Vanadium-Doped Rock-Salt SrO

Science.gov (United States)

Berber, Mohamed; Doumi, Bendouma; Mokaddem, Allel; Mogulkoc, Yesim; Sayede, Adlane; Tadjer, Abdelkader

2018-01-01

We have used first-principle methods of density functional theory within the full potential linearized augmented plane wave scheme to investigate the electronic and magnetic properties of cubic rock-salt, SrO, doped with vanadium (V) impurity as Sr1- x V x O at various concentrations, x = 0.25, 0.5, and 0.75. We have found that the ferromagnetic state arrangement of Sr1- x V x O is more stable compared to the anti-ferromagnetic state configuration. The electronic structures have a half-metallic (HM) ferromagnetic (F) behavior for Sr0.75V0.25O and Sr0.5V0.5O. This feature results from the metallic and semiconducting natures of majority-spin and minority-spin bands, respectively. The HMF gap decreases with the increasing concentration of vanadium atoms due to the broadening of 3 d (V) levels in the gap, and hence the Sr0.25V0.75O becomes metallic ferromagnetic. The Sr0.75V0.25O revealed a large HM gap with spin polarization of 100%. The Sr1- x V x O compound at low concentrations seems a better candidate to explore the half-metallicity for practical spintronics applications.

First–principle calculation of the elastic, band structure, electronic states, and optical properties of Cu–doped ZnS nanolayers

Energy Technology Data Exchange (ETDEWEB)

Lahiji, Mohammadreza Askaripour, E-mail: m.a.lahijiii@gmail.com [Department of applied mathematics, Astaneh Ashrafieh Branch, Islamic Azad University, Astaneh Ashrafieh (Iran, Islamic Republic of); Ziabari, Ali Abdolahzadeh, E-mail: ali.abd.ziabari@gmail.com [Nano Research Lab, Lahijan Branch, Islamic Azad University, P.O. Box: 1616, Lahijan (Iran, Islamic Republic of)

2016-11-15

The structural, elastic, electronic, and optical properties of undoped and Cu–doped ZnS nanostructured layers have been studied in the zincblende (ZB) phase, by first–principle approach. Density functional theory (DFT) has been employed to calculate the fundamental properties of the layers using full–potential linearized augmented plane–wave (FPLAPW) method. Mechanical analysis revealed that the bulk modulus increases with the increase of Cu content. Cu doping was found to reduce the band gap value of the material. In addition, DOS effective mass of the electrons and heavy holes was evaluated. Adding Cu caused the decrement/increment of transmission/reflectance of nanolayers in the UV–vis region. The substitution by Cu increased the intensity of the peaks, and a slight red shift was observed in the absorption peak. Moreover, the static dielectric constant, and static refractive index increased with Cu content. The optical conductivity also followed a similar trend to that of the dielectric constants. Energy loss function of the modeled compounds was also evaluated. All calculated parameters were compared with the available experimental and other theoretical results.

First principles examination of electronic structure and optical features of 4H-GaN1-xPx polytype alloys

Science.gov (United States)

Laref, A.; Hussain, Z.; Laref, S.; Yang, J. T.; Xiong, Y. C.; Luo, S. J.

2018-04-01

By using first-principles calculations, we compute the electronic band structures and typical aspects of the optical spectra of hexagonally structured GaN1-xPx alloys. Although a type III-V semiconductor, GaP commonly possesses a zinc-blende structure with an indirect band gap; as such, it may additionally form hexagonal polytypes under specific growth conditions. The electronic structures and optical properties are calculated by combining a non-nitride III-V semiconductor and a nitride III-V semiconductor, as GaP and GaN crystallizing in a 4H polytype, with the N composition ranging between x = 0-1. For all studied materials, the energy gap is found to be direct. The optical properties of the hexagonal materials may illustrate the strong polarization dependence owing to the crystalline anisotropy. This investigation for GaN1-xPx alloys is anticipated to supply paramount information for applications in the visible/ultraviolet spectral regions. At a specific concentration, x, these alloys would be exclusively appealing candidates for solar-cell applications.

Application of electronic learning tools for training of specialists in the field of information technologies for enterprises of mineral resources sector

Directory of Open Access Journals (Sweden)

Е. В. Катунцов

2017-08-01

Full Text Available The article shows the advantages of using modern electronic learning tools in the training of specialists for the mineral and raw materials complex and considers the basic principles of organizing training using these tools. The experience of using electronic learning tools using foreign teaching materials and involving foreign professors is described. A special attention is given to the electronic learning environment of the Cisco Networking Academy – Cisco NetAcad. The experience of teaching at the Networking Academy of the Saint-Petersburg Mining University is described. Details are given to modern virtual environments for laboratory work, such as Cisco Packet Tracer, GNS3 and Emulated Virtual Environment. The experience of using electronic learning technologies at the University of Economics of Bratislava is considered. It actively cooperates with a number of universities of other countries, such as the University of International Business (Almaty, the Eurasian National University named after LN Gumilyov (Astana and the Institute of Social and Humanitarian Knowledge (Kazan.

Electronic, optical, infrared, and elastic properties of KCdCO3F from first principles

Science.gov (United States)

Huang, Xue-Qian; Xue, Han-Yu; Zhang, Can; Pang, Dong-Dong; Lv, Zhen-Long; Duan, Man-Yi

2018-05-01

KCdCO3F is a newly synthesized promising ultraviolet nonlinear optical crystal, but its structure is disputed and its fundamental properties have not been well studied. Here our first-principles study indicates that the structure with the space group P 6 bar c2 is energetically more stable than the P 6 bar m2 phase. We systematically investigated its electronic, optical, vibrational, infrared, and elastic properties. The results reveal that KCdCO3F is a direct-band-gap insulator with rather flat bands below the Fermi level. Analyses of its partial density of states revealed that the top (bottom) of its valence (conduction) band is formed by the O 2p (Cd 5s) orbital. It is a negative uniaxial crystal with ionic-covalent nature. Both infrared-active and Raman-active modes exist at its Brillouin zone center, and ions contribute more to its static dielectric constants. Its optical spectra in the visual and infrared ranges were studied, and their origins were revealed. Calculations indicate that KCdCO3F is mechanically stable but anisotropic since it is more vulnerable to shear stress and is easy to cleave along the c axis.

"Essential Principles of Economics:" A Hypermedia Textbook.

Science.gov (United States)

McCain, Roger A.

2000-01-01

Discusses an electronic textbook called "Essential Principles of Economics." Explains that economic concepts are found by following links from the table of contents, while each chapter includes both expository information and interactive material including online multiple-choice drill questions. States that the textbook is a "work…

First principles study of structural, electronic and optical properties of KCl crystal

International Nuclear Information System (INIS)

Chen, Z.J.; Xiao, H.Y.; Zu, X.T.

2006-01-01

The structural, electronic and optical properties of KCl crystal in B1, B2, B3 and T1 structures have been systematically studied using first-principle pseudopotential calculations. In addition, pressure-induced phase transition has also been investigated. It was found that when the pressure is below 2.8 GPa, the B1 structure is the most stable. Above 2.8 GPa KCl crystal will undergo a structural phase transition from the relatively open NaCl structure into the more dense CsCl atomic arrangement. Our results also suggested that at about 1.2 GPa structural phase transition from B3 to T1 will occur. When the pressure arrives at 39.9 GPa, the phase transition will occur from B2 to T1. In addition, we found KCl Crystal has indirect band gap in B2 structure and direct band gap in B1, B3 and T1 structures. The band gap value is the smallest in the T1 structure and is the largest in the B1 and B3 structures. Our calculations are found to be in good agreement with available experimental and theoretical results. The dielectric function and energy loss function of KCl crystal in four structures (B1, B2, B3 and T1) have been calculated as well as the anisotropy of the optical properties of KCl crystal in T1 structure

First-principle calculations on the structural and electronic properties of hard C{sub 11}N{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Li, Dongxu, E-mail: lidongxu@hqu.edu.cn [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Shi, Jiancheng; Lai, Mengling; Li, Rongkai [College of Materials Science and Engineering, Huaqiao University, Xiamen 361021 (China); Yu, Dongli [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

2014-09-15

A graphite-like C{sub 11}N{sub 4} model was built by stacking graphene and a C{sub 3}N{sub 4} triazine layer and simulated by first principle calculations, which transfers to a diamond-like structure under high pressure. The structural, mechanical, and electronic properties of both materials were calculated. The elastic constants of both materials satisfy the Born-criterion. Furthermore, no imaginary frequencies were observed in phonon calculations. The diamond-like C{sub 11}N{sub 4} is semiconducting and consists of polyhedral and hollow C–N cages. The Vickers hardness of diamond-like C{sub 11}N{sub 4} was calculated to be 58 GPa. The phase transformation from graphite-like to diamond-like C{sub 11}N{sub 4} is proposed to occur at approximately 27.2 GPa based on the pressure-dependent enthalpy.

Adaptive capacity and community-based natural resource management.

Science.gov (United States)

Armitage, Derek

2005-06-01

Why do some community-based natural resource management strategies perform better than others? Commons theorists have approached this question by developing institutional design principles to address collective choice situations, while other analysts have critiqued the underlying assumptions of community-based resource management. However, efforts to enhance community-based natural resource management performance also require an analysis of exogenous and endogenous variables that influence how social actors not only act collectively but do so in ways that respond to changing circumstances, foster learning, and build capacity for management adaptation. Drawing on examples from northern Canada and Southeast Asia, this article examines the relationship among adaptive capacity, community-based resource management performance, and the socio-institutional determinants of collective action, such as technical, financial, and legal constraints, and complex issues of politics, scale, knowledge, community and culture. An emphasis on adaptive capacity responds to a conceptual weakness in community-based natural resource management and highlights an emerging research and policy discourse that builds upon static design principles and the contested concepts in current management practice.

Electronic and magnetic properties of SmCrSb3 and GdCrSb3: A first principles study

International Nuclear Information System (INIS)

Sandeep; Ghimire, M.P.; Thapa, R.K.

2011-01-01

The density of states (DOS) and the magnetic moments of SmCrSb 3 and GdCrSb 3 have been studied by first principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). For the exchange-correlation potential, the local-spin density approximations with correlation energy (LSDA+U) method have been used. Total and partial DOS have been computed using the WIEN2k code. DOS result shows the exchange-splittings of Cr-3d and rare-earth (R) 4f states electrons, which are responsible for the ground state ferromagnetic (FM) behavior of the systems. The FM behavior of these systems is strongly influenced by the average number of Cr-3d and Sm (Gd) 4f-electrons. The effective moment of SmCrSb 3 is found to be 7.07 μ B while for GdCrSb 3 it is 8.27 μ B . The Cr atom plays a significant role on the magnetic properties due to the hybridization between Cr-3d and Sb-5p states. - Highlights: → DOS and the magnetic moments of SmCrSb 3 and GdCrSb 3 are studied by full-FP-LAPW method. → Exchange splitting of eg and t2g of Cr-3d states and the rare-earth 4f state electrons are responsible for ground state ferromagnetism. → Rare-earth magnetic moments are greater than Cr moment indicating presence of 4f states.

Electronic theodolite intersection systems

OpenAIRE

Bingley, R. M.

1990-01-01

The development of electronic surveying instruments, such as electronic theodolites, and concurrent advances in computer technology, has revolutionised engineering surveying; one of the more recent examples being the introduction of Electronic Theodolite Intersection Systems (ETISs). An ETIS consists of two or more electronic theodolites and a computer, with peripheral hardware and suitable software. The theoretical principles on which they are based have been known for a long time, but ...

Principles and Practices of Bar and Beverage Management - The Drinks Handbook

OpenAIRE

Murphy, James Peter

2013-01-01

Murphy, J. (2013) The Principles and Practices of Bar and Beverage Management - The Drinks Handbook, Goodfellows Publishing Ltd, Oxford, England. The Principles and Practices of Bar and Beverage Management - The Drinks Handbook is an authoritative resource and comprehensive training guide, essential for all students, bartenders, sommeliers, mixologists, waiters and food and beverage practitioners the world over. Written and configured in an accessible and user-friendly style, packed with ...

First-principles investigation of Cr-doped Fe2B: Structural, mechanical, electronic and magnetic properties

Science.gov (United States)

Wei, Xiang; Chen, Zhiguo; Zhong, Jue; Wang, Li; Wang, Yipeng; Shu, Zhongliang

2018-06-01

The structural, mechanical, electronic and magnetic properties of Fe8-xCrxB4 (x = 0, 0.25, 0.5, 1, 2, 3, 4, 5, 6, 7 and 8) have been investigated by first-principles calculation. It was found that the calculated structural parameters are well consistent with available experimental data. Moreover, all studied compounds are thermodynamically stable phases. On the whole, the moduli of the compounds firstly increase and then decrease with the increase of Cr concentration, whereas the variation of hardness exhibits more fluctuations. All Cr-doped Fe2B have better ductility than Fe2B except Fe2Cr6B4 and Fe5Cr3B4. Interestingly, Fe4Cr4B4 is of not only the slightly larger hardness, but also much better ductility than Fe2B. As the Cr concentration is lower than 20 wt%, the hardness of Cr-doped Fe2B slightly decreases with increasing Cr, whereas the sharply increased hardness of (Fe, Cr)2B in Fe-B alloys or boriding layer should be attributed to the multiple alloying effects resulting from Cr and the other alloying elements. The electronic structures revealed that the Fe-B and/or Cr-B bonds are mainly responsible for their mechanical properties, and the M-N (M = Fe or Cr, N = Fe or Cr) bonds in 〈2 2 0〉 and 〈1 1 3〉 orientations show covalent character. Additionally, the magnetic moments (Ms) of the compounds do not monotonically decrease with increasing Cr.

Application of economic principles in healthcare priority setting.

Science.gov (United States)

Bate, Angela; Mitton, Craig

2006-06-01

In healthcare, resources are often insufficient to meet all claims on them. In this respect, resources are considered scarce and have to be managed by prioritizing between competing claims. Economics as a discipline explicitly addresses this reality by acknowledging resource scarcity. However, the extent to which economics actually influences such prioritizing decisions in healthcare is unclear. The purpose of this paper is to review the use of economics in priority setting decision making. We outline the key principles of economics as they apply to priority setting and review the methods reported in the literature with respect to these. We find that these methods, even economic methods (e.g., those typically used in conducting economic evaluations such as cost-effectiveness analyses) do not tend to explicitly incorporate economic principles. We argue therefore that these methods, when applied to the context of priority setting, are not sufficient and that what is required is a broader framework that can incorporate the output from economic methods yet also be pragmatically applicable. We then go on to present an alternative approach - namely program budgeting and marginal analysis. Finally, we put forward our case for using program budgeting and marginal analysis in priority setting practice and set out some future research challenges.

Pacific Canada's Rockfish Conservation Areas: using Ostrom's design principles to assess management effectiveness

Directory of Open Access Journals (Sweden)

Darienne Lancaster

2015-09-01

Full Text Available International declines in marine biodiversity have lead to the creation of marine protected areas and fishery reserve systems. In Canada, 164 Rockfish Conservation Areas (RCAs were implemented between 2003 and 2007 and now cover 4847.2 km² of ocean. These reserves were created in response to widespread concern from fishers and nongovernmental organizations about inshore rockfish (genus Sebastes population declines. We used the design principles for effective common-pool resource management systems, originally developed by Elinor Ostrom, to assess the social and ecological effectiveness of these conservation areas more than 10 years after their initial implementation. We assessed the relative presence or absence of each design principle within current RCA management. We found that 2 of the 11 design principles were moderately present in the recreational fishery. All other design principles were lacking for the recreational sector. We found that 2 design principles were fully present and 5 were moderately present in the commercial sector. Four design principles were lacking in the commercial sector. Based on this analysis, we highlight 4 main areas for management improvement: (1 create an education and outreach campaign to explain RCA rules, regulations, boundaries, and the need for marine conservation; (2 increase monitoring of users and resources to discourage noncompliance and gather the necessary data to create social buy-in for marine conservation; (3 encourage informal nested governance through stakeholder organizations for education and self-regulation (e.g. fisher to fisher; and (4 most importantly, create a formal, decadal RCA review process to gather stakeholder input and make amendments to regulations and RCA boundaries. This information can be used to inform spatial management systems both in Canada and internationally. This analysis also contributes to a growing literature on effectively scaling up small-scale management techniques

Electronic Human Resources Management (e-HRM Adoption Studies: Past and Future Research

Directory of Open Access Journals (Sweden)

Winarto Winarto

2018-05-01

Full Text Available Electronic human resource management (e-HRM systems become more widely used by profit and non-profit organization. However, the field currently lacks sound theoretical frameworks that can be useful in addressing a key issue concerning the implementation of e-HRM systems, in particular to obtain a better understanding of the factors influencing the adoption of e-HRM systems. The objective of this paper is to provide a foundation towards the development of a theoretical framework for the implementation of e-HRM systems and develop a conceptual model that would reflect the nature of e-HRM systems’ adoption through systematic literature review. Adopting Crossan and Apaydin’s procedure of systematic review, this paper investigated 21 empirical papers of electronics human resources management, then categorized them into 4 characteristics which influence the adoption; System and technology characteristics; Organizational characteristics; User/individual characteristics, and Environmental and contextual characteristics. Finally, the e-HRM adoption research framework is drawn and based on the framework; avenues for future research are discussed.   Bahasa Indonesia Abstrak: Manajemen sumber daya manusia elektronik (selanjutnya disebut dengan e-HRM semakin banyak digunakan oleh organisasi profit dan nonprofit. Namun, bidang dan topik ini belum memiliki kerangka teori yang mapan, yang dapat digunakan untuk menganalisis isu-isu terkait penerapan e-HRM, terutama mengenai faktor-faktor yang mempengaruhi adopsi sistem e-HRM. Tujuan penelitian ini adalah untuk memberikan landasan bagi pengembangan kerangka teoritis untuk implementasi sistem e-HRM dan mengembangkan model konseptual yang akan menggambarkan adopsi sistem e-HRM melalui tinjauan literatur sistematis. Mengadopsi prosedur dan metode Crossan dan Apaydin untuk melakukan telaah literatur secara sistematis, paper ini menyelidiki 21 publikasi empiris manajemen sumber daya manusia elektronik dari 2

Starting electronics

CERN Document Server

Brindley, Keith

2005-01-01

Starting Electronics is unrivalled as a highly practical introduction for hobbyists, students and technicians. Keith Brindley introduces readers to the functions of the main component types, their uses, and the basic principles of building and designing electronic circuits. Breadboard layouts make this very much a ready-to-run book for the experimenter; and the use of multimeter, but not oscilloscopes, puts this practical exploration of electronics within reach of every home enthusiast's pocket. The third edition has kept the simplicity and clarity of the original. New material

Bias changing molecule–lead couple and inducing low bias negative differential resistance for electrons acceptor predicted by first-principles study

International Nuclear Information System (INIS)

Min, Y.; Fang, J.H.; Zhong, C.G.; Dong, Z.C.; Zhao, Z.Y.; Zhou, P.X.; Yao, K.L.

2015-01-01

A first-principles study of the transport properties of 3,13-dimercaptononacene–6,21-dione molecule sandwiched between two gold leads is reported. The strong effect of negative differential resistance with large peak-to-valley ratio of 710% is present under low bias. We found that bias can change molecule–lead couple and induce low bias negative differential resistance for electrons acceptor, which may promise the potential applications in molecular devices with low-power dissipation in the future. - Highlights: • Acceptor is constructed to negative differential resistor (NDR). • NDR effect is present under low bias. • Bias change molecule–lead couple and induce NDR effect

Principlism, medical individualism, and health promotion in resource-poor countries: can autonomy-based bioethics promote social justice and population health?

Science.gov (United States)

Azétsop, Jacquineau; Rennie, Stuart

2010-01-18

Through its adoption of the biomedical model of disease which promotes medical individualism and its reliance on the individual-based anthropology, mainstream bioethics has predominantly focused on respect for autonomy in the clinical setting and respect for person in the research site, emphasizing self-determination and freedom of choice. However, the emphasis on the individual has often led to moral vacuum, exaggeration of human agency, and a thin (liberal?) conception of justice. Applied to resource-poor countries and communities within developed countries, autonomy-based bioethics fails to address the root causes of diseases and public health crises with which individuals or communities are confronted. A sociological explanation of disease causation is needed to broaden principles of biomedical ethics and provides a renewed understanding of disease, freedom, medical practice, patient-physician relationship, risk and benefit of research and treatment, research priorities, and health policy.

Phasor power electronics

CERN Document Server

Rim, Chun T

2016-01-01

This book presents a comprehensive introduction to the principles of power electronics, focusing on the switched transformer concept and phasor transformation techniques as employed in the analysis and design of power electronic circuits. Phasor transformations, as introduced in this book, make the time-varying nature of a switching converter simple and easy to handle, transforming it into an equivalent time-invariant circuit. The book starts with an introduction to the philosophy and fundamental principles of power electronics. The switched transformer concept, which is applicable to any switching converter, is introduced, and it is shown how DC-DC converters analyses are then so straightforward that very little equational manipulation is needed. Then the phasor transformation techniques are comprehensively explained over three parts. Single phase and multi-phase AC systems are dealt with through the single phase phasor transformation and circuit DQ transformation, respectively. A general unified phasor tran...

Climatic architecture: Situation, principles, establishment of technical policies

International Nuclear Information System (INIS)

Brejon, P.

1994-01-01

Climatic architecture, despite the efforts of its protagonists, remains nearly marginal. Nevertheless, environmental awareness is gaining ground, whether through concern for the depletion of natural resources, for global warming or for CO 2 emissions. It is only by establishing technical policies, making an effort in terms of training and research and distributing knowledge to all those in the business that the principles of climatic architecture will actually be applied in the field. Resources are available to make climatic architecture a fundamental concern in the design of environmentally friendly buildings. (author). 6 refs, 3 tabs

Proof on principle experiments of laser wakefield acceleration

International Nuclear Information System (INIS)

Nakajima, K.; Kawakubo, T.; Nakanishi, H.

1994-01-01

The principle of laser wakefield particle acceleration has been tested by the Nd:glass laser system providing a short pulse with a power of 10 TW and a duration of 1 ps. Electrons accelerated up to 18 MeV/c have been observed by injecting 1 MeV/c electrons emitted from a solid target by an intense laser impact. The accelerating field gradient of 30 GeV/m is inferred. (author)

First-principles study of structure, electronic properties and stability of tungsten adsorption on TiC(111) surface with disordered vacancies

Science.gov (United States)

Ilyasov, Victor V.; Pham, Khang D.; Zhdanova, Tatiana P.; Phuc, Huynh V.; Hieu, Nguyen N.; Nguyen, Chuong V.

2017-12-01

In this paper, we systematically investigate the atomic structure, electronic and thermodynamic properties of adsorbed W atoms on the polar Ti-terminated TixCy (111) surface with different configurations of adsorptions using first principle calculations. The bond length, adsorption energy, and formation energy for different reconstructions of the atomic structure of the W/TixCy (111) systems were established. The effect of the tungsten coverage on the electronic structure and the adsorption mechanism of tungsten atom on the TixCy (111) are also investigated. We also suggest the possible mechanisms of W nucleation on the TixCy (111) surface. The effective charges on W atoms and nearest-neighbor atoms in the examined reconstructions were identified. Additionally, we have established the charge transfer from titanium atom to tungsten and carbon atoms which determine by the reconstruction of the local atomic and electronic structures. Our calculations showed that the charge transfer correlates with the electronegativity of tungsten and nearest-neighbor atoms. We also determined the effective charge per atom of titanium, carbon atoms, and neighboring adsorbed tungsten atom in different binding configurations. We found that, with reduction of the lattice symmetry associated with titanium and carbon vacancies, the adsorption energy increases by 1.2 times in the binding site A of W/TixCy systems.

Disordered crystals from first principles I: Quantifying the configuration space

Science.gov (United States)

Kühne, Thomas D.; Prodan, Emil

2018-04-01

This work represents the first chapter of a project on the foundations of first-principle calculations of the electron transport in crystals at finite temperatures. We are interested in the range of temperatures, where most electronic components operate, that is, room temperature and above. The aim is a predictive first-principle formalism that combines ab-initio molecular dynamics and a finite-temperature Kubo-formula for homogeneous thermodynamic phases. The input for this formula is the ergodic dynamical system (Ω , G , dP) defining the thermodynamic crystalline phase, where Ω is the configuration space for the atomic degrees of freedom, G is the space group acting on Ω and dP is the ergodic Gibbs measure relative to the G-action. The present work develops an algorithmic method for quantifying (Ω , G , dP) from first principles. Using the silicon crystal as a working example, we find the Gibbs measure to be extremely well characterized by a multivariate normal distribution, which can be quantified using a small number of parameters. The latter are computed at various temperatures and communicated in the form of a table. Using this table, one can generate large and accurate thermally-disordered atomic configurations to serve, for example, as input for subsequent simulations of the electronic degrees of freedom.

Synchrotron radiation, a powerful tool in research and technological development. Basic principles

International Nuclear Information System (INIS)

Jimenez M, J.

2001-01-01

The basic principles of synchrotron radiation emission in electron accelerators are presented. The main characteristics of synchrotron radiation, together with the physical principles that describe its interaction with different materials are also discussed. Different areas in which the development of synchrotron radiation has made a major impact are given. (Author)

Reducing Uncertainty: Implementation of Heisenberg Principle to Measure Company Performance

Directory of Open Access Journals (Sweden)

Anna Svirina

2015-08-01

Full Text Available The paper addresses the problem of uncertainty reduction in estimation of future company performance, which is a result of wide range of enterprise's intangible assets probable efficiency. To reduce this problem, the paper suggests to use quantum economy principles, i.e. implementation of Heisenberg principle to measure efficiency and potential of intangible assets of the company. It is proposed that for intangibles it is not possible to estimate both potential and efficiency at a certain time point. To provide a proof for these thesis, the data on resources potential and efficiency from mid-Russian companies was evaluated within deterministic approach, which did not allow to evaluate probability of achieving certain resource efficiency, and quantum approach, which allowed to estimate the central point around which the probable efficiency of resources in concentrated. Visualization of these approaches was performed by means of LabView software. It was proven that for tangible assets performance estimation a deterministic approach should be used; while for intangible assets the quantum approach allows better quality of future performance prediction. On the basis of these findings we proposed the holistic approach towards estimation of company resource efficiency in order to reduce uncertainty in modeling company performance.

A new classification of geological resources

International Nuclear Information System (INIS)

Mata Perello, Josep M; Mata Lleonart, Roger; Vintro Sanchez, Carla

2011-01-01

The traditional definition of the geological resource term excludes all those elements or processes of the physical environment that show a scientific, didactic, or cultural interest, but do not offer, in principle, an economic potential. The so called cultural geo-resources have traditionally not been included within a classification that puts them in the same hierarchical and semantic ranking than the rest of the resources, and there has been no attempt to define a classification of these resources under a more didactic and modern perspective. Hence, in order to catalogue all those geological elements that show a cultural, patrimonial, scientific, or didactic interest as a resource, this paper proposes a new classification in which geo-resources stand in the same hierarchical and semantic ranking than the rest of the resources traditionally catalogued as such.

Improving Electronic Resources through Holistic Budgeting

Science.gov (United States)

Kusik, James P.; Vargas, Mark A.

2009-01-01

To establish a more direct link between its collections and the educational goals of Saint Xavier University, the Byrne Memorial Library has adopted a "holistic" approach to collection development. This article examines how traditional budget practices influenced the library's selection of resources and describes how holistic collection…

Nevada Test Site Resource Management Plan

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-12-01

The Nevada Test Site (NTS) Resource Management Plan (RMP) describes the NTS Stewardship Mission and how its accomplishment will preserve the resources of the ecoregion while accomplishing the objectives of the mission. The NTS Stewardship Mission is to manage the land and facilities at the NTS as a unique and valuable national resource. The RMP has defined goals for twelve resource areas based on the principles of ecosystem management. These goals were established using an interdisciplinary team of DOE/NV resource specialists with input from surrounding land managers, private parties, and representatives of Native American governments. The overall goal of the RMP is to facilitate improved NTS land use management decisions within the Great Basin and Mojave Desert ecoregions.

Marketing resources management in conditions of domestic enterprises’ innovative development

OpenAIRE

E.A. Belovodskaya; Ya.A. Kovalenko

2013-01-01

The aim of the article. In the article the urgency of differentiation of concepts marketing potential and marketing resource is examined. The appropriateness of marketing resources allocation into a separate part of the resource base of innovation-directed enterprises is defined. Theoretical bases of marketing resources management for innovation-oriented enterprise are investigated. The author's approach to classification of marketing resources and formation of principles of their management ...

The electronic properties of phosphorus-doped GaN nanowires from first-principle calculations

International Nuclear Information System (INIS)

Fu, Nannan; Li, Enling; Cui, Zhen; Ma, Deming; Wang, Wei; Zhang, Yulong; Song, Sha; Lin, Jie

2014-01-01

Highlights: • The P impurities tend to enrich at the surface of GaN nanowires. • The lattice parameters of GaN nanowires are changed by the P impurity. • Donor impurity level appears when the P impurity substitutes for the Ga atom. • The band gap decreases slightly when the P impurity substitutes for the N atom. - Abstract: The electronic properties of phosphorus-doped unsaturated and saturated gallium nitride (GaN) nanowires have been investigated from first-principles using the ultrasoft pseudopotential method. The results of these calculations indicate that the P impurities are enriched at the surface of gallium nitride nanowires, and that the structural symmetry of GaN nanowires is broken due to changes in the lattice parameters. When the P impurity substitutes for the Ga atom, the width of band gap increases at the Γ point, a donor impurity level appears in the band gap, and the P impurity and adjacent N atoms exists covalent interaction. Moreover, when the P impurity substitutes for the N atom, the width of the band gap decreases slightly at the Γ point, there is no obvious impurity level in the band gap, and P–Ga covalent bonds are formed, including those composed of ionic bonds. These conclusions indicate that the incorporation of P impurities can improve the field emission performance of GaN nanowires, which is consistent with the experimental results

The electronic properties of phosphorus-doped GaN nanowires from first-principle calculations

Energy Technology Data Exchange (ETDEWEB)

Fu, Nannan; Li, Enling, E-mail: Lienling@xaut.edu.cn; Cui, Zhen; Ma, Deming; Wang, Wei; Zhang, Yulong; Song, Sha; Lin, Jie

2014-05-01

Highlights: • The P impurities tend to enrich at the surface of GaN nanowires. • The lattice parameters of GaN nanowires are changed by the P impurity. • Donor impurity level appears when the P impurity substitutes for the Ga atom. • The band gap decreases slightly when the P impurity substitutes for the N atom. - Abstract: The electronic properties of phosphorus-doped unsaturated and saturated gallium nitride (GaN) nanowires have been investigated from first-principles using the ultrasoft pseudopotential method. The results of these calculations indicate that the P impurities are enriched at the surface of gallium nitride nanowires, and that the structural symmetry of GaN nanowires is broken due to changes in the lattice parameters. When the P impurity substitutes for the Ga atom, the width of band gap increases at the Γ point, a donor impurity level appears in the band gap, and the P impurity and adjacent N atoms exists covalent interaction. Moreover, when the P impurity substitutes for the N atom, the width of the band gap decreases slightly at the Γ point, there is no obvious impurity level in the band gap, and P–Ga covalent bonds are formed, including those composed of ionic bonds. These conclusions indicate that the incorporation of P impurities can improve the field emission performance of GaN nanowires, which is consistent with the experimental results.

INTERNATIONAL LABOUR LAW PRINCIPLES AS GUIDELINES TO FOSTEREMPLOYMENT RELATIONS

Directory of Open Access Journals (Sweden)

Aniko Noemi TURI

2017-06-01

Full Text Available Contemporary human resource management practices often ignore very important values of international labour law; however there is a wide floor for improvements in this area. In this sense the main guidelines are arising from the legal acts of the International organizations. The social responsibility, professional ethics and management are categories which have the intense relation with the legal system. Some historically developed degree of social responsibility and professional ethics may be considered as an important resource of values which are the starting point for building the legal system and also international regulations. The international labour law principles are significant elements in employment relations. The paper represents how the principles of the international labour law can positively influence managerial strategies through the social dialogue. Social dialogue provides a communication platform between social partners and by that it is actually creating a socio-economic and social development. Furthermore social dialogue is a key instrument in planning social development, harmonizing different interests, prevent and resolve disputes between the management and labour. International law shows many ways how to strengthen the principle of ethics in the employment relations. The values, arising from the existing international legal documents may be the significant guideline for the development of “good practices of managers”.

Clinician‐selected Electronic Information Resources do not Guarantee Accuracy in Answering Primary Care Physicians’ Information Needs. A review of: McKibbon, K. Ann, and Douglas B. Fridsma. “Effectiveness of Clinician‐selected Electronic Information Resources for Answering Primary Care Physicians’ Information Needs.” Journal of the American Medical Informatics Association 13.6 (2006: 653‐9.

Directory of Open Access Journals (Sweden)

Martha Ingrid Preddie

2008-03-01

Full Text Available Objective – To determine if electronic information resources selected by primary care physicians improve their ability to answer simulated clinical questions.Design – An observational study utilizing hour‐long interviews and think‐aloud protocols.Setting – The offices and clinics of primary care physicians in Canada and the United States.Subjects – Twenty‐five primary care physicians of whom 4 were women, 17 were from Canada, 22 were family physicians,and 24 were board certified.Methods – Participants provided responses to 23 multiple‐choice questions. Each physician then chose two questions and looked for the answers utilizing information resources of their own choice. The search processes, chosen resources and search times were noted. These were analyzed along with data on the accuracy of the answers and certainties related to the answer to each clinical question prior to the search.Main results – Twenty‐three physicians sought answers to 46 simulated clinical questions. Utilizing only electronic information resources, physicians spent a mean of 13.0 (SD 5.5 minutes searching for answers to the questions, an average of 7.3(SD 4.0 minutes for the first question and 5.8 (SD 2.2 minutes to answer the second question. On average, 1.8 resources were utilized per question. Resources that summarized information, such as the Cochrane Database of Systematic Reviews, UpToDate and Clinical Evidence, were favored 39.2% of the time, MEDLINE (Ovid and PubMed 35.7%, and Internet resources including Google 22.6%. Almost 50% of the search and retrieval strategies were keyword‐based, while MeSH, subheadings and limiting were used less frequently. On average, before searching physicians answered 10 of 23 (43.5% questions accurately. For questions that were searched using clinician‐selected electronic resources, 18 (39.1% of the 46 answers were accurate before searching, while 19 (42.1% were accurate after searching. The difference of

PRINCIPLE OF THE ELECTRONIC EDUCATIONAL ENVIRONMENT SECURITY IN THE PROFESSIONAL TRAINING OF UNIVERSITY STUDENTS

Directory of Open Access Journals (Sweden)

Valery G. Tylets

2017-12-01

Full Text Available The article considers the problem of professional training of students in e-learning environment in accordance with the principle of security. The authors offer the essay technology of multiple difficulty levels. In the article the description of each level of technology proves its conformity to the positions of principle of security. The main methods of measurement performance were made by expert assessment and subjective scaling. The analysis of results of approbation of essay technology of multiple difficulty levels in the experimental sample showed an increase of objective and subjective indicators. Positive methodological and personal effects of the introduction of technology into the process of university education were identified, corresponding to the positions of principle of security. Methodical recommendations of application of technology were formulated.

Human Resource Management: Some Vital Considerations

OpenAIRE

Mishra, SK

2007-01-01

The paper discusses how and why the theories of neo-classical economics are inadequate to provide a framework to human resource management and therefore must give way to dynamic gradual optimization procedure based on the principles of bounded rationality and satisficing behaviour in dealing with the problems of an adaptive complex system of business organization. It also widens the scope of human resource management to include crowd-sourcing.

The influence of hydrostatic pressure on the electronic structure and optical properties of tin dioxide: A first-principle study

International Nuclear Information System (INIS)

Cai Lugang; Liu Famin; Zhang Dian; Zhong Wenwu

2013-01-01

The evolutions of electronic structure and optical properties of SnO 2 under hydrostatic pressure are studied theoretically using first-principle calculations. The calculation results show that the energy band gap of SnO 2 expands with increasing pressure, and the relationship between them can be fitted well by a second order polynomial expression. The complex dielectric functions are calculated and it is found that its imaginary part moves to higher photon energy levels with increasing pressure; meanwhile the static dielectric function constant decreases correspondingly. The dependences of other optical properties, such as the reflectivity spectra and loss function, on the hydrostatic pressure are also calculated and obtained, and the relationships between the optical properties and hydrostatic pressure are discussed and analyzed.

Review of material recovery from used electric and electronic equipment-alternative options for resource conservation.

Science.gov (United States)

Friege, Henning

2012-09-01

For waste from electric and electronic equipment, the WEEE Directive stipulates the separate collection of electric and electronic waste. As to new electric and electronic devices, the Restriction of Hazardous Substances (RoHS) Directive bans the use of certain chemicals dangerous for man and environment. From the implementation of the WEEE directive, many unsolved problems have been documented: poor collection success, emission of dangerous substances during collection and recycling, irretrievable loss of valuable metals among others. As to RoHS, data from the literature show a satisfying success. The problems identified in the process can be reduced to some basic dilemmas at the borders between waste management, product policy and chemical safety. The objectives of the WEEE Directive and the specific targets for use and recycling of appliances are not consistent. There is no focus on scarce resources. Extended producer responsibility is not sufficient to guarantee sustainable waste management. Waste management reaches its limits due to problems of implementation but also due to physical laws. A holistic approach is necessary looking at all branch points and sinks in the stream of used products and waste from electric and electronic equipment. This may be done with respect to the general rules for sustainable management of material streams covering the three dimensions of sustainable policy. The relationships between the players in the field of electric and electronic devices have to be taken into account. Most of the problems identified in the implementation process will not be solved by the current amendment of the WEEE Directive.

First principles calculations of structural, electronic and thermal ...

Indian Academy of Sciences (India)

Administrator

2013-07-28

Jul 28, 2013 ... The structural, electronic and thermal properties of lead chalcogenides PbS, PbSe and BeTe using .... results for all the systems are presented in table 1, along ... as interatomic bonding, equations of state and phonon spectra.

Charting a Course through CORAL: Texas A&M University Libraries' Experience Implementing an Open-Source Electronic Resources Management System

Science.gov (United States)

Hartnett, Eric; Beh, Eugenia; Resnick, Taryn; Ugaz, Ana; Tabacaru, Simona

2013-01-01

In 2010, after two previous unsuccessful attempts at electronic resources management system (ERMS) implementation, Texas A&M University (TAMU) Libraries set out once again to find an ERMS that would fit its needs. After surveying the field, TAMU Libraries selected the University of Notre Dame Hesburgh Libraries-developed, open-source ERMS,…

Thermodynamics and elastic properties of Ir from first-principle calculations

International Nuclear Information System (INIS)

Li Qiang; Huang Duohui; Cao Qilong; Wang Fanhou

2013-01-01

Within the framework of the quasiharmonic approximation, the thermodynamics and elastic properties, including phonon dispersion curves, equation of state, linear thermal expansion coefficient and temperature-dependent entropy, enthalpy, heat capacity, elastic constants, bulk modulus, shear modulus, Young's modulus of Ir have been studied using first-principles projector-augmented wave method. The results revealed that the predicted phonon dispersion curves of Ir are in agreement with the experimental measurements by neutron diffractions. Considering the thermal electronic contribution to Helmholtz free energy, the calculated entropy, enthalpy, heat capacity and linear thermal expansion co- efficient from the first-principle are consistent well with the experimental data. At 2600 K, the electronic heat capacity accounts for 17% of the total heat capacity at constant pressure, thus the thermal electronic contribution to Helmholtz free energy is very important. The predicted elastic constants, bulk modulus, shear modulus and Young's modulus at room temperature are also in agreement with the available measurements and increase with the increasing temperature. (authors)

Efficient and Effective Change Principles in Active Videogames.

Science.gov (United States)

Straker, Leon M; Fenner, Ashley A; Howie, Erin K; Feltz, Deborah L; Gray, Cindy M; Lu, Amy Shirong; Mueller, Florian Floyd; Simons, Monique; Barnett, Lisa M

2015-02-01

Active videogames have the potential to enhance population levels of physical activity but have not been successful in achieving this aim to date. This article considers a range of principles that may be important to the design of effective and efficient active videogames from diverse discipline areas, including behavioral sciences (health behavior change, motor learning, and serious games), business production (marketing and sales), and technology engineering and design (human-computer interaction/ergonomics and flow). Both direct and indirect pathways to impact on population levels of habitual physical activity are proposed, along with the concept of a game use lifecycle. Examples of current active and sedentary electronic games are used to understand how such principles may be applied. Furthermore, limitations of the current usage of theoretical principles are discussed. A suggested list of principles for best practice in active videogame design is proposed along with suggested research ideas to inform practice to enhance physical activity.

Efficient and Effective Change Principles in Active Videogames

Science.gov (United States)

Fenner, Ashley A.; Howie, Erin K.; Feltz, Deborah L.; Gray, Cindy M.; Lu, Amy Shirong; Mueller, Florian “Floyd”; Simons, Monique; Barnett, Lisa M.

2015-01-01

Abstract Active videogames have the potential to enhance population levels of physical activity but have not been successful in achieving this aim to date. This article considers a range of principles that may be important to the design of effective and efficient active videogames from diverse discipline areas, including behavioral sciences (health behavior change, motor learning, and serious games), business production (marketing and sales), and technology engineering and design (human–computer interaction/ergonomics and flow). Both direct and indirect pathways to impact on population levels of habitual physical activity are proposed, along with the concept of a game use lifecycle. Examples of current active and sedentary electronic games are used to understand how such principles may be applied. Furthermore, limitations of the current usage of theoretical principles are discussed. A suggested list of principles for best practice in active videogame design is proposed along with suggested research ideas to inform practice to enhance physical activity. PMID:26181680

First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO4 by sulfur surface modification

International Nuclear Information System (INIS)

Xu, Guigui; Zhong, Kehua; Zhang, Jian-Min; Huang, Zhigao

2014-01-01

We present a first-principles calculation for the electronic and Li-ion diffusion properties of the LiFePO 4 (010) surface modified by sulfur. The calculated formation energy indicates that the sulfur adsorption on the (010) surface of the LiFePO 4 is energetically favored. Sulfur is found to form Fe-S bond with iron. A much narrower band gap (0.67 eV) of the sulfur surface-modified LiFePO 4 [S-LiFePO 4 (010)] is obtained, indicating the better electronic conductive properties. By the nudged elastic band method, our calculations show that the activation energy of Li ions diffusion along the one-dimensional channel on the surface can be effectively reduced by sulfur surface modification. In addition, the surface diffusion coefficient of S-LiFePO 4 (010) is estimated to be about 10 −11 (cm 2 /s) at room temperature, which implies that sulfur modification will give rise to a higher Li ion carrier mobility and enhanced electrochemical performance

First Principles Calculations of Electronic Excitations in 2D Materials

DEFF Research Database (Denmark)

Rasmussen, Filip Anselm

electronic transport, optical and chemical properties. On the other hand it has shown to be a great starting point for a systematic pertubation theory approach to obtain the so-called quasiparticle spectrum. In the GW approximation one considers the considers the potential from a charged excitation...... as if it is being screened by the electrons in the material. This method has been very successful for calculating quasiparticle energies of bulk materials but results have been more varying for 2D materials. The reason is that the 2D confined electrons are less able to screen the added charge and some...

First-principles calculations of structural, elastic, and electronic properties of trigonal ZnSnO{sub 3} under pressure

Energy Technology Data Exchange (ETDEWEB)

Liu, Qi-Jun, E-mail: qijunliu@home.swjtu.edu.cn [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China); Qin, Han; Jiao, Zhen; Liu, Fu-Sheng [School of Physical Science and Technology, Southwest Jiaotong University, Key Laboratory of Advanced Technologies of Materials, Ministry of Education of China, Chengdu 610031 (China); Bond and Band Engineering Group, Sichuan Provincial Key Laboratory (for Universities) of High Pressure Science and Technology, Southwest Jiaotong University, Chengdu 610031 (China); Liu, Zheng-Tang [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072 (China)

2016-09-01

First-principles calculations of the structural, elastic, mechanical and electronic properties of ilmenite-type ZnSnO{sub 3} under pressure have been investigated in the present paper. Our calculated lattice constants at zero pressure are in agreement with the published theoretical and experimental data. The elastic constants at zero and high pressure have been obtained, which are used to discuss the mechanical stability of ilmenite-type ZnSnO{sub 3}. The mechanical properties such as bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio under pressure have been studied. Electronic properties show that ilmenite-type ZnSnO{sub 3} is shown to be a direct bandgap of 1.063 (GGA-PW91)/3.977 (PBE0) eV. The bandgap increases with the increasing pressure. Moreover, the partial density of states has been analyzed to explain the increased bandgap. - Highlights: • Physical properties of ilmenite-type ZnSnO{sub 3} under pressure have been investigated. • Ilmenite-type ZnSnO{sub 3} behaves in a ductile manner. • Ilmenite-type ZnSnO{sub 3} is a direct bandgap compound with 3.977 eV. • Bandgap of Ilmenite-type ZnSnO{sub 3} increases with the increasing pressure.

An Evaluation of a Human Machine Interface based on Attentional-resources Effectiveness

International Nuclear Information System (INIS)

Ha, Jun Su; Seong, Poong Hyun

2008-01-01

Measures of attentional-resource effectiveness during monitoring and detection tasks in nuclear power plants (NPPs) have been developed based on cost-benefit principle and validated with experimental studies. The underlying principle of the measures is that information sources should be selectively attended according to their informational importance. One of two measures is Fixation to Importance Ratio (FIR) which represents attentional-resources (eye fixations) spent on an information source compared to importance of the information source

Observation on optimal transition from conventional energy with resource constraints to advanced energy with virtually unlimited resource

International Nuclear Information System (INIS)

Suzuki, Atsuyuki

1980-01-01

The paper is aimed at making a theoretical analysis on optimal shift from finite energy resources like presently used oil toward advanced energy sources like nuclear and solar. First, the value of conventional energy as a finite resource is derived based on the variational principle. Second, a simplified model on macroeconomy is used to obtain and optimal relationship between energy production and consumption and thereby the optimality on energy price is provided. Third, the meaning of research and development of advanced energy is shown by taking into account resource constraints and technological progress. Finally, an optimal timing of the shift from conventional to advanced energies is determined by making use of the maximum principle. The methematical model employed there is much simplified but can be used to conclude that in order to make an optimal shift some policy-oriented decision must be made prior to when an economically competitive condition comes and that, even with that decision made, some recession of energy demand is inevitable during the transitional phase. (author)

Employing the Precautionary Principle to Evaluate the Use of E-Cigarettes

Directory of Open Access Journals (Sweden)

Ashley M Bush

2016-02-01

Full Text Available Electronic cigarettes have emerged onto the public market as an alternative to tobacco cigarettes; however, science is inconclusive as electronic cigarettes have not been thoroughly investigated, including their short- and long-term risks and benefits.1,2 The question arises of whether electronic cigarettes will become the future tobacco crisis. This paper connects the Precautionary Principle to the use of electronic cigarettes in an effort to guide decision-makers in the prevention of adverse health outcomes and societal costs.

Principles in selecting human capital measurements and metrics

Directory of Open Access Journals (Sweden)

Pharny D. Chrysler-Fox

2014-09-01

Research purpose: The study explored principles in selecting human capital measurements,drawing on the views and recommendations of human resource management professionals,all experts in human capital measurement. Motivation for the study: The motivation was to advance the understanding of selectingappropriate and strategic valid measurements, in order for human resource practitioners tocontribute to creating value and driving strategic change. Research design, approach and method: A qualitative approach, with purposively selectedcases from a selected panel of human capital measurement experts, generated a datasetthrough unstructured interviews, which were analysed thematically. Main findings: Nineteen themes were found. They represent a process that considers thecentrality of the business strategy and a systemic integration across multiple value chains inthe organisation through business partnering, in order to select measurements and generatemanagement level-appropriate information. Practical/managerial implications: Measurement practitioners, in partnership withmanagement from other functions, should integrate the business strategy across multiplevalue chains in order to select measurements. Analytics becomes critical in discoveringrelationships and formulating hypotheses to understand value creation. Higher educationinstitutions should produce graduates able to deal with systems thinking and to operatewithin complexity. Contribution: This study identified principles to select measurements and metrics. Noticeableis the move away from the interrelated scorecard perspectives to a systemic view of theorganisation in order to understand value creation. In addition, the findings may help toposition the human resource management function as a strategic asset.

Designing a model of electronic human resource management’s implementation at the Ministry of Communications and Information Technology

Directory of Open Access Journals (Sweden)

Mirali Seyednaghavi

2017-06-01

Full Text Available : In the first phase of this study a model for electronic human resource management in government agencies based on new public services was explored by using software MAXQDA, then in the second phase, relationship between the elements of the theory were tested using software Smart PLS2. So the aim of this study is to design a model of electronic human resource management’s implementation at the Ministry of Communications and Information Technology. In this regard, according to Strauss and Corbin’s structured plan, five hypotheses were tested. Quantitative data analysis indicates that the pressures of the policies and global perspectives cause to move toward e-HRM. Among the contextual conditions macro structural mechanisms, considerations of actors, governance considerations have a significant impact on the strategy of new public services and therefore lead to the consequences of its implementation in public organizations. The findings suggest that e-HRM does not have a positive and meaningful impact on new public services, and in our country, although the recent political developments have somehow removed the gap between public policy makers, administrators, and the public, but there is still a long way to go.

Effects of intrinsic defects on the electronic structure and magnetic properties of CoFe{sub 2}O{sub 4}: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

Huang, Y.L.; Fan, W.B. [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Hou, Y.H., E-mail: hyhhyl@163.com [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Guo, K.X. [School of Materials Science and Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Ouyang, Y.F. [Department of Physics, Guangxi University, Nanning 530004 (China); Liu, Z.W. [School of Materials Science and Engineering, South China University of Technology, Guangzhou 510640 (China)

2017-05-01

The cobalt ferrite (CoFe{sub 2}O{sub 4}) with spinel structure has achieved a great interest as a very important magnetic material which has covered a wide range of applications. The formation condition and energy of possible intrinsic point defects have been investigated by the first-principles calculations, and the effects of the intrinsic point defects on the electronic and magnetic properties of CoFe{sub 2}O{sub 4} have been analyzed. It is found that the growth conditions have a great effect on the formation energy of intrinsic point defects, and each point defect with its fully ionized state is the most stable for the intrinsic point defects with various charge states. In an oxygen rich environment, the cation vacancies are easy to form shallow acceptors, which is conducive to the strength of the p-type conductivity. While in the metal rich environment, the oxygen vacancies tend to form donors which lead to the n-type conductivity. There exists extra levels in the band gap when point defects are present, resulting in a reduction of the band gap. The net magnetic moment depends highly on the defects. - Highlights: • The intrinsic defects in CoFe{sub 2}O{sub 4} were investigated by first-principles calculation. • The effects of intrinsic defects on the electronic structures and magnetic properties of CoFe{sub 2}O{sub 4} were analyzed.

On the superposition principle in interference experiments.

Science.gov (United States)

Sinha, Aninda; H Vijay, Aravind; Sinha, Urbasi

2015-05-14

The superposition principle is usually incorrectly applied in interference experiments. This has recently been investigated through numerics based on Finite Difference Time Domain (FDTD) methods as well as the Feynman path integral formalism. In the current work, we have derived an analytic formula for the Sorkin parameter which can be used to determine the deviation from the application of the principle. We have found excellent agreement between the analytic distribution and those that have been earlier estimated by numerical integration as well as resource intensive FDTD simulations. The analytic handle would be useful for comparing theory with future experiments. It is applicable both to physics based on classical wave equations as well as the non-relativistic Schrödinger equation.

The Resource Control Debate: Enthroning Parasitism or Instituting ...

African Journals Online (AJOL)

... dominated (and still dominates) political power in Nigeria.The paper argues that there is nothing fundamentally wrong with the principle of “Resource Control” which is basically a product of the weird brand of federal system in Nigeria (I choose to call it “unitary federalism”). The conclude that the “Resource Control” debate ...

Detection principles of biological and chemical FET sensors.

Science.gov (United States)

Kaisti, Matti

2017-12-15

The seminal importance of detecting ions and molecules for point-of-care tests has driven the search for more sensitive, specific, and robust sensors. Electronic detection holds promise for future miniaturized in-situ applications and can be integrated into existing electronic manufacturing processes and technology. The resulting small devices will be inherently well suited for multiplexed and parallel detection. In this review, different field-effect transistor (FET) structures and detection principles are discussed, including label-free and indirect detection mechanisms. The fundamental detection principle governing every potentiometric sensor is introduced, and different state-of-the-art FET sensor structures are reviewed. This is followed by an analysis of electrolyte interfaces and their influence on sensor operation. Finally, the fundamentals of different detection mechanisms are reviewed and some detection schemes are discussed. In the conclusion, current commercial efforts are briefly considered. Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

The Heisenberg Uncertainty Principle Demonstrated with An Electron Diffraction Experiment

Science.gov (United States)

Matteucci, Giorgio; Ferrari, Loris; Migliori, Andrea

2010-01-01

An experiment analogous to the classical diffraction of light from a circular aperture has been realized with electrons. The results are used to introduce undergraduate students to the wave behaviour of electrons. The diffraction fringes produced by the circular aperture are compared to those predicted by quantum mechanics and are exploited to…

Unified description of inelastic propensity rules for electron transport through nanoscale junctions

DEFF Research Database (Denmark)

Paulsson, Magnus; Frederiksen, Thomas; Ueba, Hiromu

2008-01-01

We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmetries in play, and hence to obtain the so-called propensity rules for the st......We present a method to analyze the results of first-principles based calculations of electronic currents including inelastic electron-phonon effects. This method allows us to determine the electronic and vibrational symmetries in play, and hence to obtain the so-called propensity rules...... for the studied systems. We show that only a few scattering states-namely those belonging to the most transmitting eigenchannels-need to be considered for a complete description of the electron transport. We apply the method on first-principles calculations of four different systems and obtain the propensity...

Principles and indicators of green living families in Thai context

Directory of Open Access Journals (Sweden)

Tamkarn Yuranun

2016-01-01

Full Text Available Green Living has been practiced in everyday life which is accepted worldwide. However, there is no concrete academic principles for Green Living. The understanding of Green Living is rather abstract. This study focuses on the academic principles and indicators of the Green Living Families in Thailand. The results from the studies will be used for further research.This qualitative study aims at proposing the principles and indicators of the Green Living Families in the Thai context. The research methodologies include the analysis and synthesis of various documents both from Thailand and foreign countries, interviews and observation of five Green Living Families. The results show that the principles consist of 1 production for one’s own consumption within the family 2 economical use of resources and 3 sharing with others and the society. The essential indicators comprise of 1 Knowledge, 2 Practice, and 3 Attitude on Green Living.

Structural electronic and mechanical properties of YM2 (M=Mn, Fe, Co) laves phase compounds: First principle calculations analyzed with datamining approach

Science.gov (United States)

Saidi, F.; Sebaa, N.; Mahmoudi, A.; Aourag, H.; Merad, G.; Dergal, M.

2018-06-01

We performed first-principle calculations to investigate structural, phase stability, electronic and mechanical properties for the Laves phases YM2 (M = Mn, Fe, Co) with C15, C14 and C36 structures. We used the density functional theory within the framework of both pseudo-potentials and plane wave basis using VASP (Vienna Ab Initio Software Package). The calculated equilibrium structural parameters are in accordance with available theoretical values. Mechanical properties were calculated, discussed, and analyzed with data mining approach in terms of structure stability. The results reveal that YCo2 is harder than YFe2 and YMn2.

First principles study of structural, electronic and magnetic properties of SnGe n (0, ±1) ( n = 1–17) clusters

Science.gov (United States)

Djaadi, Soumaia; Eddine Aiadi, Kamal; Mahtout, Sofiane

2018-04-01

The structures, relative stability and magnetic properties of pure Ge n +1, neutral cationic and anionic SnGe n (n = 1–17) clusters have been investigated by using the first principles density functional theory implemented in SIESTA packages. We find that with the increasing of cluster size, the Ge n +1 and SnGe n (0, ±1) clusters tend to adopt compact structures. It has been also found that the Sn atom occupied a peripheral position for SnGe n clusters when n 12. The structural and electronic properties such as optimized geometries, fragmentation energy, binding energy per atom, HOMO–LUMO gaps and second-order differences in energy of the pure Ge n +1 and SnGe n clusters in their ground state are calculated and analyzed. All isomers of neutral SnGe n clusters are generally nonmagnetic except for n = 1 and 4, where the total spin magnetic moments is 2μ b. The total (DOS) and partial density of states of these clusters have been calculated to understand the origin of peculiar magnetic properties. The cluster size dependence of vertical ionization potentials, vertical electronic affinities, chemical hardness, adiabatic electron affinities and adiabatic ionization potentials have been calculated and discussed.

Textile-Based Electronic Components for Energy Applications: Principles, Problems, and Perspective.

Science.gov (United States)

Kaushik, Vishakha; Lee, Jaehong; Hong, Juree; Lee, Seulah; Lee, Sanggeun; Seo, Jungmok; Mahata, Chandreswar; Lee, Taeyoon

2015-09-07

Textile-based electronic components have gained interest in the fields of science and technology. Recent developments in nanotechnology have enabled the integration of electronic components into textiles while retaining desirable characteristics such as flexibility, strength, and conductivity. Various materials were investigated in detail to obtain current conductive textile technology, and the integration of electronic components into these textiles shows great promise for common everyday applications. The harvest and storage of energy in textile electronics is a challenge that requires further attention in order to enable complete adoption of this technology in practical implementations. This review focuses on the various conductive textiles, their methods of preparation, and textile-based electronic components. We also focus on fabrication and the function of textile-based energy harvesting and storage devices, discuss their fundamental limitations, and suggest new areas of study.

Textile-Based Electronic Components for Energy Applications: Principles, Problems, and Perspective

Directory of Open Access Journals (Sweden)

Vishakha Kaushik

2015-09-01

Full Text Available Textile-based electronic components have gained interest in the fields of science and technology. Recent developments in nanotechnology have enabled the integration of electronic components into textiles while retaining desirable characteristics such as flexibility, strength, and conductivity. Various materials were investigated in detail to obtain current conductive textile technology, and the integration of electronic components into these textiles shows great promise for common everyday applications. The harvest and storage of energy in textile electronics is a challenge that requires further attention in order to enable complete adoption of this technology in practical implementations. This review focuses on the various conductive textiles, their methods of preparation, and textile-based electronic components. We also focus on fabrication and the function of textile-based energy harvesting and storage devices, discuss their fundamental limitations, and suggest new areas of study.

The module of methodical support in system of electronic educational resources as the innovative element of the modern maintenance of formation

Directory of Open Access Journals (Sweden)

Ольга Николаевна Крылова

2009-06-01

Full Text Available The article introduces some results of research, which were devoted to evaluation of tearches' mobility to introduce innovations in the contents of education. The author considers innovative potential of modules of the methodical support for system of electronic educational resources.

Resource allocation on the frontlines of public health preparedness and response: report of a summit on legal and ethical issues.

Science.gov (United States)

Barnett, Daniel J; Taylor, Holly A; Hodge, James G; Links, Jonathan M

2009-01-01

In the face of all-hazards preparedness challenges, local and state health department personnel have to date lacked a discrete set of legally and ethically informed public health principles to guide the distribution of scarce resources in crisis settings. To help address this gap, we convened a Summit of academic and practice experts to develop a set of principles for legally and ethically sound public health resource triage decision-making in emergencies. The invitation-only Summit, held in Washington, D.C., on June 29, 2006, assembled 20 experts from a combination of academic institutions and nonacademic leadership, policy, and practice settings. The Summit featured a tabletop exercise designed to highlight resource scarcity challenges in a public health infectious disease emergency. This exercise served as a springboard for Summit participants' subsequent identification of 10 public health emergency resource allocation principles through an iterative process. The final product of the Summit was a set of 10 principles to guide allocation decisions involving scarce resources in public health emergencies. The principles are grouped into three categories: obligations to community; balancing personal autonomy and community well-being/benefit; and good preparedness practice. The 10 Summit-derived principles represent an attempt to link law, ethics, and real-world public health emergency resource allocation practices, and can serve as a useful starting framework to guide further systematic approaches and future research on addressing public health resource scarcity in an all-hazards context.

Principles of optimizing animal production from rangeland

International Nuclear Information System (INIS)

Stubbendieck, J.; Waller, S.S.

1983-01-01

Increasing world population is one of the dominant factors escalating demands for the world's natural resources. Range and forage resources, which are used primarily for food and fibre, could be more efficiently used if management techniques were improved. The principles of managing forage resources are directly associated with both the growth and development of plants and the actions and needs of the grazing animal. An understanding of the effects of environmental factors and herbage removal (frequency, intensity and season of defoliation) on growth and regrowth of plants is the first step towards optimizing animal productivity from rangelands. Most potential changes will fit into three categories: (1) increase the quantity of forage, (2) improve the quality of forage, and (3) improve use of forage. The principles of grazing management can be separated into four intricately related categories: (1) proper degree of grazing, (2) proper season of grazing, (3) proper kind of livestock, and (4) proper distribution of grazing. Grazing management is affected by the manner in which both improvements and manipulation of vegetation affect forage yield and quality. The adaptation and application of existing knowledge to individual locations will be one step towards optimizing animal production from rangeland. Some of the problems may be solved through better dissemination of present knowledge through existing educational programmes, while others will require expanded programmes of information dissemination. A third group of problems may also be solved with present technology, but the solutions are not currently economical. Some of the problems will be solved only through expanded research. These research efforts need to be directed towards grazing or browsing animals, plant resources and the interaction between plants and animals. Application of nuclear techniques will be an integral part of this research. (author)

First-principles study of structural, electronic, linear and nonlinear optical properties of Ga{2}PSb ternary chalcopyrite

Science.gov (United States)

Ouahrani, T.; Reshak, A. H.; de La Roza, A. Otero; Mebrouki, M.; Luaña, V.; Khenata, R.; Amrani, B.

2009-12-01

We report results from first-principles density functional calculations using the full-potential linear augmented plane wave (FP-LAPW) method. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA) were used for the exchange-correlation energy of the structural, electronic, linear and nonlinear optical properties of the chalcopyrite Ga2PSb compound. The valence band maximum (VBM) is located at the Γv point, and the conduction band minimum (CBM) is located at the Γc point, resulting in a direct band gap of about 0.365 eV for GGA and 0.83 eV for EV-GGA. In comparison with the experimental one (1.2 eV) we found that EV-GGA calculation gives energy gap in reasonable agreement with the experiment. The spin orbit coupling has marginal influence on the optical properties. The ground state quantities such as lattice parameters (a, c and u), bulk modules B and its pressure derivative B^primeare evaluated.

Ethics and Information Technology: Some Principles To Guide Students.

Science.gov (United States)

Bodi, Sonia

1998-01-01

Discusses the ethical challenges of information technology, particularly electronic indexes and the Internet; considers principles to guide students; and discusses possible librarian responses. Topics include Kant's categorical imperative, ownership, right to privacy, social responsibility, self-respect, plagiarism and copyrights, and three…

First-principles calculations of electronic and optical properties of aluminum-doped β-Ga2O3 with intrinsic defects

Directory of Open Access Journals (Sweden)

Xiaofan Ma

Full Text Available In this manuscript, the effects of intrinsic defects on the electronic and optical properties of aluminum-doped β-Ga2O3 are investigated with first-principles calculations. Four types of defect complexes have been considered: AlGa2O3VO (Al-doped β-Ga2O3 with O vacancy, AlGa2O3VGa (Al-doped β-Ga2O3 with Ga vacancy, AlGa2O3Gai (Al-doped β-Ga2O3 with Ga interstitial and AlGa2O3Oi (Al-doped β-Ga2O3 with O interstitial. The calculation results show that the incorporation of Al into β-Ga2O3 leads to the tendency of forming O interstitial defects. And the bandgap of AlGa2O3 is 4.975 eV, which is a little larger than that of intrinsic β-Ga2O3. When O vacancies exist, a defect energy level is introduced to the forbidden band as a deep donor level, while no defective energy levels occur in the forbidden band with O interstitials. After Al-doped, a slightly blue-shift appears in the intrinsic absorption edge, and an additional absorption peak occurs with O vacancy located in 3.69 eV. Keywords: First-principle calculation, Intrinsic defects, Bandgap, Absorption peak

Principles of cooperation across systems: from human sharing to multicellularity and cancer.

Science.gov (United States)

Aktipis, Athena

2016-01-01

From cells to societies, several general principles arise again and again that facilitate cooperation and suppress conflict. In this study, I describe three general principles of cooperation and how they operate across systems including human sharing, cooperation in animal and insect societies and the massively large-scale cooperation that occurs in our multicellular bodies. The first principle is that of Walk Away: that cooperation is enhanced when individuals can leave uncooperative partners. The second principle is that resource sharing is often based on the need of the recipient (i.e., need-based transfers) rather than on strict account-keeping. And the last principle is that effective scaling up of cooperation requires increasingly sophisticated and costly cheater suppression mechanisms. By comparing how these principles operate across systems, we can better understand the constraints on cooperation. This can facilitate the discovery of novel ways to enhance cooperation and suppress cheating in its many forms, from social exploitation to cancer.

Searches for the Violation of Pauli Exclusion Principle at LNGS in VIP(-2) experiment

CERN Document Server

Shi, H; Bertolucci, S; Berucci, C; Bragadireanu, A M; Cargnelli, M; Clozza, A; Curceanu, C; De Paolis, L; Di Matteo, S; d'Uffizi, A; Egger, J P; Guaraldo, C; Iliescu, M; Ishiwatari, T; Marton, J; Laubenstein, M; Milotti, E; Pietreanu, D; Piscicchia, K; Ponta, T; Vidal, A.Romero; Sbardella, E; Scordo, A; Sirghi, D L; Sirghi, F; Sperandio, L; Vazquez Doce, O; Widmann, E; Zmeskal, J

2016-01-01

The VIP (Violation of Pauli exclusion principle) experiment and its follow-up experiment VIP-2 at the Laboratori Nazionali del Gran Sasso (LNGS) search for X-rays from Cu atomic states that are prohibited by the Pauli Exclusion Principle (PEP). The candidate events, if they exist, will originate from the transition of a $2p$ orbit electron to the ground state which is already occupied by two electrons. The present limit on the probability for PEP violation for electron is 4.7 $\\times10^{-29}$ set by the VIP experiment. With upgraded detectors for high precision X-ray spectroscopy, the VIP-2 experiment will improve the sensitivity by two orders of magnitude.

Electronic Structure and Transport in Solids from First Principles

Science.gov (United States)

Mustafa, Jamal Ibrahim

The focus of this dissertation is the determination of the electronic structure and trans- port properties of solids. We first review some of the theory and computational methodology used in the calculation of electronic structure and materials properties. Throughout the dissertation, we make extensive use of state-of-the-art software packages that implement density functional theory, density functional perturbation theory, and the GW approximation, in addition to specialized methods for interpolating matrix elements for extremely accurate results. The first application of the computational framework introduced is the determination of band offsets in semiconductor heterojunctions using a theory of quantum dipoles at the interface. This method is applied to the case of heterojunction formed between a new metastable phase of silicon, with a rhombohedral structure, and cubic silicon. Next, we introduce a novel method for the construction of localized Wannier functions, which we have named the optimized projection functions method (OPFM). We illustrate the method on a variety of systems and find that it can reliably construct localized Wannier functions with minimal user intervention. We further develop the OPFM to investigate a class of materials called topological insulators, which are insulating in the bulk but have conductive surface states. These properties are a result of a nontrivial topology in their band structure, which has interesting effects on the character of the Wannier functions. In the last sections of the main text, the noble metals are studied in great detail, including their electronic properties and carrier dynamics. In particular, we investigate, the Fermi surface properties of the noble metals, specifically electron-phonon scattering lifetimes, and subsequently the transport properties determined by carriers on the Fermi surface. To achieve this, a novel sampling technique is developed, with wide applicability to transport calculations

Undulators and free-electron lasers

CERN Document Server

Luchini, P

1990-01-01

This book is a reference text for all those working in free-electron laser research as well as being a learning aid for physicists and graduate students who wish an introduction to this field. Only a basic understanding of relativistic mechanics and electromagnetism is presupposed. After an overview of early developments and general principles of operation, the different models that can be used to describe free-electron lasers are presented, organized according to their range of applicability. The relevent conceptual and mathematical constructs are built up from first principles with attention to obtaining the practically important results in a simple but rigorous way. Interaction of the undulator with the driving electron accelerator and the laser cavity and design of undulator magnets are treated and an overview is given of some typical experiments.

Impact of Electronic Resources and Usage in Academic Libraries in Ghana: Evidence from Koforidua Polytechnic & All Nations University College, Ghana

Science.gov (United States)

Akussah, Maxwell; Asante, Edward; Adu-Sarkodee, Rosemary

2015-01-01

The study investigates the relationship between impact of electronic resources and its usage in academic libraries in Ghana: evidence from Koforidua Polytechnic & All Nations University College, Ghana. The study was a quantitative approach using questionnaire to gather data and information. A valid response rate of 58.5% was assumed. SPSS…

Microfluidic CODES: a scalable multiplexed electronic sensor for orthogonal detection of particles in microfluidic channels.

Science.gov (United States)

Liu, Ruxiu; Wang, Ningquan; Kamili, Farhan; Sarioglu, A Fatih

2016-04-21