Structural reliability assessment capability in NESSUS

Science.gov (United States)

Millwater, H.; Wu, Y.-T.

1992-07-01

The principal capabilities of NESSUS (Numerical Evaluation of Stochastic Structures Under Stress), an advanced computer code developed for probabilistic structural response analysis, are reviewed, and its structural reliability assessed. The code combines flexible structural modeling tools with advanced probabilistic algorithms in order to compute probabilistic structural response and resistance, component reliability and risk, and system reliability and risk. An illustrative numerical example is presented.

Structural Optimization with Reliability Constraints

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Thoft-Christensen, Palle

1986-01-01

During the last 25 years considerable progress has been made in the fields of structural optimization and structural reliability theory. In classical deterministic structural optimization all variables are assumed to be deterministic. Due to the unpredictability of loads and strengths of actual......]. In this paper we consider only structures which can be modelled as systems of elasto-plastic elements, e.g. frame and truss structures. In section 2 a method to evaluate the reliability of such structural systems is presented. Based on a probabilistic point of view a modern structural optimization problem...... is formulated in section 3. The formulation is a natural extension of the commonly used formulations in determinstic structural optimization. The mathematical form of the optimization problem is briefly discussed. In section 4 two new optimization procedures especially designed for the reliability...

Materials and Reliability Handbook for Semiconductor Optical and Electron Devices

CERN Document Server

Pearton, Stephen

2013-01-01

Materials and Reliability Handbook for Semiconductor Optical and Electron Devices provides comprehensive coverage of reliability procedures and approaches for electron and photonic devices. These include lasers and high speed electronics used in cell phones, satellites, data transmission systems and displays. Lifetime predictions for compound semiconductor devices are notoriously inaccurate due to the absence of standard protocols. Manufacturers have relied on extrapolation back to room temperature of accelerated testing at elevated temperature. This technique fails for scaled, high current density devices. Device failure is driven by electric field or current mechanisms or low activation energy processes that are masked by other mechanisms at high temperature. The Handbook addresses reliability engineering for III-V devices, including materials and electrical characterization, reliability testing, and electronic characterization. These are used to develop new simulation technologies for device operation and ...

Transitioning to Physics-of-Failure as a Reliability Driver in Power Electronics

DEFF Research Database (Denmark)

Wang, Huai; Liserre, Marco; Blaabjerg, Frede

2014-01-01

Power electronics has progressively gained important status in power generation, distribution and consumption. With more than 70% of electricity processed through power electronics, recent research endeavors to improve the reliability of power electronic systems to comply with more stringent...... constraints on cost, safety and availability in various applications. This paper serves to give an overview of the major aspects of reliability in power electronics and to address the future trends in this multidisciplinary research direction. The ongoing paradigm shift in reliability research is presented...... first. Then the three major aspects of power electronics reliability are discussed, respectively, which cover from physics-of-failure analysis of critical power elec-tronic components, state-of-the-art design for reliability process and robustness validation, and intelligent control and condition...

Reliability of power electronic converter systems

CERN Document Server

Chung, Henry Shu-hung; Blaabjerg, Frede; Pecht, Michael

2016-01-01

This book outlines current research into the scientific modeling, experimentation, and remedial measures for advancing the reliability, availability, system robustness, and maintainability of Power Electronic Converter Systems (PECS) at different levels of complexity.

Reliability prediction system based on the failure rate model for electronic components

International Nuclear Information System (INIS)

Lee, Seung Woo; Lee, Hwa Ki

2008-01-01

Although many methodologies for predicting the reliability of electronic components have been developed, their reliability might be subjective according to a particular set of circumstances, and therefore it is not easy to quantify their reliability. Among the reliability prediction methods are the statistical analysis based method, the similarity analysis method based on an external failure rate database, and the method based on the physics-of-failure model. In this study, we developed a system by which the reliability of electronic components can be predicted by creating a system for the statistical analysis method of predicting reliability most easily. The failure rate models that were applied are MILHDBK- 217F N2, PRISM, and Telcordia (Bellcore), and these were compared with the general purpose system in order to validate the effectiveness of the developed system. Being able to predict the reliability of electronic components from the stage of design, the system that we have developed is expected to contribute to enhancing the reliability of electronic components

Reliability Based Optimization of Structural Systems

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

1987-01-01

The optimization problem to design structural systems such that the reliability is satisfactory during the whole lifetime of the structure is considered in this paper. Some of the quantities modelling the loads and the strength of the structure are modelled as random variables. The reliability...... is estimated using first. order reliability methods ( FORM ). The design problem is formulated as the optimization problem to minimize a given cost function such that the reliability of the single elements satisfies given requirements or such that the systems reliability satisfies a given requirement....... For these optimization problems it is described how a sensitivity analysis can be performed. Next, new optimization procedures to solve the optimization problems are presented. Two of these procedures solve the system reliability based optimization problem sequentially using quasi-analytical derivatives. Finally...

Reliability Based Ship Structural Design

DEFF Research Database (Denmark)

Dogliani, M.; Østergaard, C.; Parmentier, G.

1996-01-01

This paper deals with the development of different methods that allow the reliability-based design of ship structures to be transferred from the area of research to the systematic application in current design. It summarises the achievements of a three-year collaborative research project dealing...... with developments of models of load effects and of structural collapse adopted in reliability formulations which aim at calibrating partial safety factors for ship structural design. New probabilistic models of still-water load effects are developed both for tankers and for containerships. New results are presented...... structure of several tankers and containerships. The results of the reliability analysis were the basis for the definition of a target safety level which was used to asses the partial safety factors suitable for in a new design rules format to be adopted in modern ship structural design. Finally...

Dependent systems reliability estimation by structural reliability approach

DEFF Research Database (Denmark)

Kostandyan, Erik; Sørensen, John Dalsgaard

2014-01-01

Estimation of system reliability by classical system reliability methods generally assumes that the components are statistically independent, thus limiting its applicability in many practical situations. A method is proposed for estimation of the system reliability with dependent components, where...... the leading failure mechanism(s) is described by physics of failure model(s). The proposed method is based on structural reliability techniques and accounts for both statistical and failure effect correlations. It is assumed that failure of any component is due to increasing damage (fatigue phenomena...... identification. Application of the proposed method can be found in many real world systems....

Design for low-power and reliable flexible electronics

Science.gov (United States)

Huang, Tsung-Ching (Jim)

Flexible electronics are emerging as an alternative to conventional Si electronics for large-area low-cost applications such as e-paper, smart sensors, and disposable RFID tags. By utilizing inexpensive manufacturing methods such as ink-jet printing and roll-to-roll imprinting, flexible electronics can be made on low-cost plastics just like printing a newspaper. However, the key elements of exible electronics, thin-film transistors (TFTs), have slower operating speeds and less reliability than their Si electronics counterparts. Furthermore, depending on the material property, TFTs are usually mono-type -- either p- or n-type -- devices. Making air-stable complementary TFT circuits is very challenging and not applicable to most TFT technologies. Existing design methodologies for Si electronics, therefore, cannot be directly applied to exible electronics. Other inhibiting factors such as high supply voltage, large process variation, and lack of trustworthy device modeling also make designing larger-scale and robust TFT circuits a significant challenge. The major goal of this dissertation is to provide a viable solution for robust circuit design in exible electronics. I will first introduce a reliability simulation framework that can predict the degraded TFT circuits' performance under bias-stress. This framework has been validated using the amorphous-silicon (a-Si) TFT scan driver for TFT-LCD displays. To reuse the existing CMOS design ow for exible electronics, I propose a Pseudo-CMOS cell library that can make TFT circuits operable under low supply voltage and which has post-fabrication tunability for reliability and performance enhancement. This cell library has been validated using 2V self-assembly-monolayer (SAM) organic TFTs with a low-cost shadow-mask deposition process. I will also demonstrate a 3-bit 1.25KS/s Flash ADC in a-Si TFTs, which is based on the proposed Pseudo-CMOS cell library, and explore more possibilities in display, energy, and sensing

Reliability-based optimization of engineering structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

2008-01-01

The theoretical basis for reliability-based structural optimization within the framework of Bayesian statistical decision theory is briefly described. Reliability-based cost benefit problems are formulated and exemplitied with structural optimization. The basic reliability-based optimization...... problems are generalized to the following extensions: interactive optimization, inspection and repair costs, systematic reconstruction, re-assessment of existing structures. Illustrative examples are presented including a simple introductory example, a decision problem related to bridge re...

Power Electronic Packaging Design, Assembly Process, Reliability and Modeling

CERN Document Server

Liu, Yong

2012-01-01

Power Electronic Packaging presents an in-depth overview of power electronic packaging design, assembly,reliability and modeling. Since there is a drastic difference between IC fabrication and power electronic packaging, the book systematically introduces typical power electronic packaging design, assembly, reliability and failure analysis and material selection so readers can clearly understand each task's unique characteristics. Power electronic packaging is one of the fastest growing segments in the power electronic industry, due to the rapid growth of power integrated circuit (IC) fabrication, especially for applications like portable, consumer, home, computing and automotive electronics. This book also covers how advances in both semiconductor content and power advanced package design have helped cause advances in power device capability in recent years. The author extrapolates the most recent trends in the book's areas of focus to highlight where further improvement in materials and techniques can d...

Structural Reliability Analysis of Wind Turbines: A Review

Directory of Open Access Journals (Sweden)

Zhiyu Jiang

2017-12-01

Full Text Available The paper presents a detailed review of the state-of-the-art research activities on structural reliability analysis of wind turbines between the 1990s and 2017. We describe the reliability methods including the first- and second-order reliability methods and the simulation reliability methods and show the procedure for and application areas of structural reliability analysis of wind turbines. Further, we critically review the various structural reliability studies on rotor blades, bottom-fixed support structures, floating systems and mechanical and electrical components. Finally, future applications of structural reliability methods to wind turbine designs are discussed.

Structural Reliability of Wind Turbine Blades

DEFF Research Database (Denmark)

Dimitrov, Nikolay Krasimirov

turbine blades. The main purpose is to draw a clear picture of how reliability-based design of wind turbines can be done in practice. The objectives of the thesis are to create methodologies for efficient reliability assessment of composite materials and composite wind turbine blades, and to map...... the uncertainties in the processes, materials and external conditions that have an effect on the health of a composite structure. The study considers all stages in a reliability analysis, from defining models of structural components to obtaining the reliability index and calibration of partial safety factors...... by developing new models and standards or carrying out tests The following aspects are covered in detail: ⋅ The probabilistic aspects of ultimate strength of composite laminates are addressed. Laminated plates are considered as a general structural reliability system where each layer in a laminate is a separate...

Study of structural reliability of existing concrete structures

Science.gov (United States)

Druķis, P.; Gaile, L.; Valtere, K.; Pakrastiņš, L.; Goremikins, V.

2017-10-01

Structural reliability of buildings has become an important issue after the collapse of a shopping center in Riga 21.11.2013, caused the death of 54 people. The reliability of a building is the practice of designing, constructing, operating, maintaining and removing buildings in ways that ensure maintained health, ward suffered injuries or death due to use of the building. Evaluation and improvement of existing buildings is becoming more and more important. For a large part of existing buildings, the design life has been reached or will be reached in the near future. The structures of these buildings need to be reassessed in order to find out whether the safety requirements are met. The safety requirements provided by the Eurocodes are a starting point for the assessment of safety. However, it would be uneconomical to require all existing buildings and structures to comply fully with these new codes and corresponding safety levels, therefore the assessment of existing buildings differs with each design situation. This case study describes the simple and practical procedure of determination of minimal reliability index β of existing concrete structures designed by different codes than Eurocodes and allows to reassess the actual reliability level of different structural elements of existing buildings under design load.

On industrial application of structural reliability theory

International Nuclear Information System (INIS)

Thoft-Christensen, P.

1998-01-01

In this paper it is shown that modern structural reliability theory is being successfully applied to a number of different industries. This review of papers is in no way complete. In the literature there is a large number of similar applications and also application not touched on in this presentation. There has been some concern among scientists from this area that structural reliability theory is not being used by industry. It is probably correct that structural reliability theory is not being used by industry as much as it should be used. However, the work by the ESReDA Working Group clearly shows the vary wide application of structural reliability theory by many different industries. One must also have in mind that industry often is reluctant to publish data related to safety and reliability. (au)

On industrial application of structural reliability theory

Energy Technology Data Exchange (ETDEWEB)

Thoft-Christensen, P

1998-06-01

In this paper it is shown that modern structural reliability theory is being successfully applied to a number of different industries. This review of papers is in no way complete. In the literature there is a large number of similar applications and also application not touched on in this presentation. There has been some concern among scientists from this area that structural reliability theory is not being used by industry. It is probably correct that structural reliability theory is not being used by industry as much as it should be used. However, the work by the ESReDA Working Group clearly shows the vary wide application of structural reliability theory by many different industries. One must also have in mind that industry often is reluctant to publish data related to safety and reliability. (au) 32 refs.

Design for Reliability of Power Electronics in Renewable Energy Systems

DEFF Research Database (Denmark)

Ma, Ke; Yang, Yongheng; Wang, Huai

2014-01-01

Power electronics is the enabling technology for maximizing the power captured from renewable electrical generation, e.g., the wind and solar technology, and also for an efficient integration into the grid. Therefore, it is important that the power electronics are reliable and do not have too many...... failures during operation which otherwise will increase cost for operation, maintenance and reputation. Typically, power electronics in renewable electrical generation has to be designed for 20–30 years of operation, and in order to do that, it is crucial to know about the mission profile of the power...... electronics technology as well as to know how the power electronics technology is loaded in terms of temperature and other stressors relevant, to reliability. Hence, this chapter will show the basics of power electronics technology for renewable energy systems, describe the mission profile of the technology...

Reliability analysis and assessment of structural systems

International Nuclear Information System (INIS)

Yao, J.T.P.; Anderson, C.A.

1977-01-01

The study of structural reliability deals with the probability of having satisfactory performance of the structure under consideration within any specific time period. To pursue this study, it is necessary to apply available knowledge and methodology in structural analysis (including dynamics) and design, behavior of materials and structures, experimental mechanics, and the theory of probability and statistics. In addition, various severe loading phenomena such as strong motion earthquakes and wind storms are important considerations. For three decades now, much work has been done on reliability analysis of structures, and during this past decade, certain so-called 'Level I' reliability-based design codes have been proposed and are in various stages of implementation. These contributions will be critically reviewed and summarized in this paper. Because of the undesirable consequences resulting from the failure of nuclear structures, it is important and desirable to consider the structural reliability in the analysis and design of these structures. Moreover, after these nuclear structures are constructed, it is desirable for engineers to be able to assess the structural reliability periodically as well as immediately following the occurrence of severe loading conditions such as a strong-motion earthquake. During this past decade, increasing use has been made of techniques of system identification in structural engineering. On the basis of non-destructive test results, various methods have been developed to obtain an adequate mathematical model (such as the equations of motion with more realistic parameters) to represent the structural system

Structural systems reliability analysis

International Nuclear Information System (INIS)

Frangopol, D.

1975-01-01

For an exact evaluation of the reliability of a structure it appears necessary to determine the distribution densities of the loads and resistances and to calculate the correlation coefficients between loads and between resistances. These statistical characteristics can be obtained only on the basis of a long activity period. In case that such studies are missing the statistical properties formulated here give upper and lower bounds of the reliability. (orig./HP) [de

Structural dynamics of electronic and photonic systems

CERN Document Server

Suhir, Ephraim; Steinberg, David S

2011-01-01

The proposed book will offer comprehensive and versatile methodologies and recommendations on how to determine dynamic characteristics of typical micro- and opto-electronic structural elements (printed circuit boards, solder joints, heavy devices, etc.) and how to design a viable and reliable structure that would be able to withstand high-level dynamic loading. Particular attention will be given to portable devices and systems designed for operation in harsh environments (such as automotive, aerospace, military, etc.)  In-depth discussion from a mechanical engineer's viewpoint will be conducte

Adhesives technology for electronic applications materials, processing, reliability

CERN Document Server

Licari, James J

2011-01-01

Adhesives are widely used in the manufacture and assembly of electronic circuits and products. Generally, electronics design engineers and manufacturing engineers are not well versed in adhesives, while adhesion chemists have a limited knowledge of electronics. This book bridges these knowledge gaps and is useful to both groups. The book includes chapters covering types of adhesive, the chemistry on which they are based, and their properties, applications, processes, specifications, and reliability. Coverage of toxicity, environmental impacts and the regulatory framework make this book par

Design for Reliability of Power Electronic Systems

DEFF Research Database (Denmark)

Yang, Yongheng; Wang, Huai; Sangwongwanich, Ariya

2018-01-01

Power density, efficiency, cost, and reliability are the major challenges when designing a power electronic system. Latest advancements in power semiconductor devices (e.g., silicon carbide devices) and topological innovations have vital contributions to power density and efficiency. Nevertheless......, dedicated heat sink systems for thermal management are required to dissipate the power losses in power electronic systems; otherwise, the power devices will be heated up and eventually fail to operate. In addition, in many mission critical applications (e.g., marine systems), the operating condition (i...

Development in structural systems reliability theory

Energy Technology Data Exchange (ETDEWEB)

Murotsu, Y

1986-07-01

This paper is concerned with two topics on structural systems reliability theory. One covers automatic generation of failure mode equations, identifications of stochastically dominant failure modes, and reliability assessment of redundant structures. Reduced stiffness matrixes and equivalent nodal forces representing the failed elements are introduced for expressing the safety of the elements, using a matrix method. Dominant failure modes are systematically selected by a branch-and-bound technique and heuristic operations. The other discusses the various optimum design problems based on reliability concept. Those problems are interpreted through a solution to a multi-objective optimization problem.

Development in structural systems reliability theory

International Nuclear Information System (INIS)

Murotsu, Y.

1986-01-01

This paper is concerned with two topics on structural systems reliability theory. One covers automatic generation of failure mode equations, identifications of stochastically dominant failure modes, and reliability assessment of redundant structures. Reduced stiffness matrixes and equivalent nodal forces representing the failed elements are introduced for expressing the safety of the elements, using a matrix method. Dominant failure modes are systematically selected by a branch-and-bound technique and heuristic operations. The other discusses the various optimum design problems based on reliability concept. Those problems are interpreted through a solution to a multi-objective optimization problem. (orig.)

Electronic structure and optical properties of metal doped tetraphenylporphyrins

Science.gov (United States)

Shah, Esha V.; Roy, Debesh R.

2018-05-01

A density functional scrutiny on the structure, electronic and optical properties of metal doped tetraphenylporphyrins MTPP (M=Fe, Co, Ni) is performed. The structural stability of the molecules is evaluated based on the electronic parameters like HOMO-LUMO gap (HLG), chemical hardness (η) and binding energy of the central metal atom to the molecular frame etc. The computed UltraViolet-Visible (UV-Vis) optical absorption spectra for all the compounds are also compared. The molecular structures reported are the lowest energy configurations. The entire calculations are carried out with a widely reliable functional, viz. B3LYP with a popular basis set which includes a scaler relativistic effect, viz. LANL2DZ.

System reliability developments in structural engineering

International Nuclear Information System (INIS)

Moses, F.

1982-01-01

Two major limitations occur in present structural design code developments utilizing reliability theory. The notional system reliabilities may differ significantly from calibrated component reliabilities. Secondly, actual failures are often due to gross errors not reflected in most present code formats. A review is presented of system reliability methods and further new concepts are developed. The incremental load approach for identifying and expressing collapse modes is expanded by employing a strategy to identify and enumerate the significant structural collapse modes. It further isolates the importance of critical components in the system performance. Ductile and brittle component behavior and strength correlation is reflected in the system model and illustrated in several examples. Modal combinations for the system reliability are also reviewed. From these developments a system factor can be addended to component safety checking equations. Values may be derived from system behavior by substituting in a damage model which accounts for the response range from component failure to collapse. Other strategies are discussed which emphasize quality assurance during design and in-service inspection for components whose behavior is critical to the system reliability. (Auth.)

Reliability enhancement of portal frame structure by finite element synthesis

International Nuclear Information System (INIS)

Nakagiri, S.

1989-01-01

The stochastic finite element methods have been applied to the evaluation of structural response and reliability of uncertain structural systems. The structural reliability index of the advanced first-order second moment (AFOSM) method is a candidate of the measure of assessing structural safety and reliability. The reliability index can be evaluated when a baseline design of structures under interest is proposed and the covariance matrix of the probabilistic variables is acquired to represent uncertainties involved in the structure systems. The reliability index thus evaluated is not assured the largest one for the structure. There is left a possibility to enhance the structural reliability for the given covariance matrix by changing the baseline design. From such a viewpoint of structural optimization, some ideas have been proposed to maximize the reliability or to minimize the failure probability of uncertain structural systems. A method of changing the design is proposed to increase the reliability index from its baseline value to another desired value. The reliability index in this paper is calculated mainly by the method of Lagrange multiplier

System Reliability of Timber Structures with Ductile Behaviour

DEFF Research Database (Denmark)

Kirkegaard, Poul Henning; Sørensen, John Dalsgaard; Čizmar, Dean

2011-01-01

The present paper considers the evaluation of timber structures with the focus on robustness due to connection ductility. The robustness analysis is based on the structural reliability framework applied to a simplified mechanical system. The structural timber system is depicted as a parallel system....... An evaluation method of the ductile behaviour is introduced. For different ductile behaviours, the system reliability is estimated based on Monte Carlo simulation. A correlation between the strength of the structural elements is introduced. The results indicate that the reliability of a structural timber system...

Improvement of mechanical reliability by patterned silver/Indium-Tin-Oxide structure for flexible electronic devices

International Nuclear Information System (INIS)

Baek, Kyunghyun; Jang, Kyungsoo; Lee, Youn-Jung; Ryu, Kyungyul; Choi, Woojin; Kim, Doyoung; Yi, Junsin

2013-01-01

We report the effect of silver (Ag)-buffer layer Indium-Tin-Oxide (ITO) film on a polyethylene terephthalate substrate on the electrical, optical and reliable properties for transparent–flexible displays. The electrical and optical characteristics of an ITO-only film and an Ag-layer-inserted ITO film are measured and compared to assess the applicability of the triple layered structure in flexible displays. The sheet resistance, the resistivity and the light transmittance of the ITO-only film were 400 Ω/sq, 1.33 × 10 −3 Ω-cm and 99.2%, while those of the ITO film inserted with a 10 nm thick Ag layer were 165 Ω/sq, 4.78 × 10 −4 Ω-cm and about 97%, respectively. To evaluate the mechanical reliability of the different ITO films, bending tests were carried out. After the dynamic bending test of 900 cycles, the sheet resistance of the ITO film inserted with the Ag layer changed from 154 Ω/sq to 475 Ω/sq, about a 3-time increase but that of the ITO-only film changed from 400 Ω/sq to 61,986 Ω/sq, about 150-time increase. When the radius is changed from 25 mm to 20 mm in the static bending test, the sheet resistance of the ITO-only film changed from 400 to 678.3 linearly whereas that of the Ag-layer inserted ITO film changed a little from 154.4 to 154.9. These results show that Ag-layer inserted ITO film had better mechanical characteristics than the ITO-only film. - Highlights: ► Transparent flexible electrode fabricated on glass substrate. ► Electrode fabricated using vertically-patterned design on glass substrate. ► Optimization of the vertical patterns ► Application of the vertically-patterned electrode in transparent–flexible electronics

Recent advances in computational structural reliability analysis methods

Science.gov (United States)

Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

1993-10-01

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Design for Reliability of Power Electronics for Grid-Connected Photovoltaic Systems

DEFF Research Database (Denmark)

Yang, Yongheng; Sangwongwanich, Ariya; Blaabjerg, Frede

2016-01-01

Power electronics is the enabling technology for optimizing energy harvesting from renewable systems like Photovoltaic (PV) and wind power systems, and also for interfacing grid-friendly energy systems. Advancements in the power semiconductor technology (e.g., wide band-gap devices) have pushed...... the conversion efficiency of power electronics to above 98%, where however te reliability of power electronics is becoming of high concern. Therefore, it is important to design for reliable power electronic systems to lower the risks of many failures during operation; otherwise will increase the cost...... for maintenance and reputation, thus affecting the cost of PV energy. Today's PV power conversion applications require the power electronic systems with low failure rates during a service life of 20 years or even more. To achieve so, it is vital to know the main life-limiting factors of power electronic systems...

LDA+U and tight-binding electronic structure of InN nanowires

Science.gov (United States)

Molina-Sánchez, A.; García-Cristóbal, A.; Cantarero, A.; Terentjevs, A.; Cicero, G.

2010-10-01

In this paper we employ a combined ab initio and tight-binding approach to obtain the electronic and optical properties of hydrogenated Indium nitride (InN) nanowires. We first discuss InN band structure for the wurtzite structure calculated at the LDA+U level and use this information to extract the parameters needed for an empirical tight-binging implementation. These parameters are then employed to calculate the electronic and optical properties of InN nanowires in a diameter range that would not be affordable by ab initio techniques. The reliability of the large nanowires results is assessed by explicitly comparing the electronic structure of a small diameter wire studied both at LDA+U and tight-binding level.

Evaluation of structural reliability using simulation methods

Directory of Open Access Journals (Sweden)

Baballëku Markel

2015-01-01

Full Text Available Eurocode describes the 'index of reliability' as a measure of structural reliability, related to the 'probability of failure'. This paper is focused on the assessment of this index for a reinforced concrete bridge pier. It is rare to explicitly use reliability concepts for design of structures, but the problems of structural engineering are better known through them. Some of the main methods for the estimation of the probability of failure are the exact analytical integration, numerical integration, approximate analytical methods and simulation methods. Monte Carlo Simulation is used in this paper, because it offers a very good tool for the estimation of probability in multivariate functions. Complicated probability and statistics problems are solved through computer aided simulations of a large number of tests. The procedures of structural reliability assessment for the bridge pier and the comparison with the partial factor method of the Eurocodes have been demonstrated in this paper.

Structural hybrid reliability index and its convergent solving method based on random–fuzzy–interval reliability model

OpenAIRE

Hai An; Ling Zhou; Hui Sun

2016-01-01

Aiming to resolve the problems of a variety of uncertainty variables that coexist in the engineering structure reliability analysis, a new hybrid reliability index to evaluate structural hybrid reliability, based on the random–fuzzy–interval model, is proposed in this article. The convergent solving method is also presented. First, the truncated probability reliability model, the fuzzy random reliability model, and the non-probabilistic interval reliability model are introduced. Then, the new...

Reliability & availability of wind turbine electrical & electronic components

NARCIS (Netherlands)

Tavner, P.; Faulstich, S.; Hahn, B.; Bussel, van G.J.W.

2010-01-01

Recent analysis of European onshore wind turbine reliability data has shown that whilst wind turbine mechanical subassemblies tend to have relatively low failure rates but long downtimes, electrical and electronic subassemblies have relatively high failure rates and short downtimes. For onshore wind

A Survey on the Reliability of Power Electronics in Electro-Mobility Applications

DEFF Research Database (Denmark)

Gadalla, Brwene Salah Abdelkarim; Schaltz, Erik; Blaabjerg, Frede

2015-01-01

Reliability is an important issue in the field of power electronics since most of the electrical energy is today processed by power electronics. In most of the electro-mobility applications, e.g. electric and hybridelectric vehicles, power electronic are commonly used in very harsh environment...... and extending the service lifetime as well. Research within power electronics is of high interest as it has an important impact in the industry of the electro-mobility applications. According to the aforementioned explanations, this paper will provide an overview of the common factors (thermal cycles, power...... cycles, vibrations, voltage stress and current ripple stress) affecting the reliability of power electronics in electromobility applications. Also, the researchers perspective is summarized from 2001 to 2015....

Quality assurance and reliability in the Japanese electronics industry

Science.gov (United States)

Pecht, Michael; Boulton, William R.

1995-02-01

Quality and reliability are two attributes required for all Japanese products, although the JTEC panel found these attributes to be secondary to customer cost requirements. While our Japanese hosts gave presentations on the challenges of technology, cost, and miniaturization, quality and reliability were infrequently the focus of our discussions. Quality and reliability were assumed to be sufficient to meet customer needs. Fujitsu's slogan, 'quality built-in, with cost and performance as prime consideration,' illustrates this point. Sony's definition of a next-generation product is 'one that is going to be half the size and half the price at the same performance of the existing one'. Quality and reliability are so integral to Japan's electronics industry that they need no new emphasis.

Integrated Reliability-Based Optimal Design of Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Thoft-Christensen, Palle

1987-01-01

In conventional optimal design of structural systems the weight or the initial cost of the structure is usually used as objective function. Further, the constraints require that the stresses and/or strains at some critical points have to be less than some given values. Finally, all variables......-based optimal design is discussed. Next, an optimal inspection and repair strategy for existing structural systems is presented. An optimization problem is formulated , where the objective is to minimize the expected total future cost of inspection and repair subject to the constraint that the reliability...... value. The reliability can be measured from an element and/or a systems point of view. A number of methods to solve reliability-based optimization problems has been suggested, see e.g. Frangopol [I]. Murotsu et al. (2], Thoft-Christensen & Sørensen (3] and Sørensen (4). For structures where...

Risk-based Optimization and Reliability Levels of Coastal Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Burcharth, H. F.

Identification of optimum reliability levels for coastal structures is considered. A class of breakwaters is considered where no human injuries can be expected in cases of failure. The optimum reliability level is identified by minimizing the total costs over the service life of the structure, in...... on the minimumcost reliability levels is investigated for different values of the real rate of interest, the service lifetime, the downtime costs due to malfunction and the decommission costs.......Identification of optimum reliability levels for coastal structures is considered. A class of breakwaters is considered where no human injuries can be expected in cases of failure. The optimum reliability level is identified by minimizing the total costs over the service life of the structure...

Risk-based Optimization and Reliability Levels of Coastal Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Burcharth, Hans F.

2005-01-01

 Identification of optimum reliability levels for coastal structures is considered. A class of breakwaters is considered where no human injuries can be expected in cases of failure. The optimum reliability level is identified by minimizing the total costs over the service life of the structure, i...... on the minimumcost reliability levels is investigated for different values of the real rate of interest, the service lifetime, the downtime costs due to malfunction and the decommission costs....... Identification of optimum reliability levels for coastal structures is considered. A class of breakwaters is considered where no human injuries can be expected in cases of failure. The optimum reliability level is identified by minimizing the total costs over the service life of the structure...

Structural reliability analysis based on the cokriging technique

International Nuclear Information System (INIS)

Zhao Wei; Wang Wei; Dai Hongzhe; Xue Guofeng

2010-01-01

Approximation methods are widely used in structural reliability analysis because they are simple to create and provide explicit functional relationships between the responses and variables in stead of the implicit limit state function. Recently, the kriging method which is a semi-parameter interpolation technique that can be used for deterministic optimization and structural reliability has gained popularity. However, to fully exploit the kriging method, especially in high-dimensional problems, a large number of sample points should be generated to fill the design space and this can be very expensive and even impractical in practical engineering analysis. Therefore, in this paper, a new method-the cokriging method, which is an extension of kriging, is proposed to calculate the structural reliability. cokriging approximation incorporates secondary information such as the values of the gradients of the function being approximated. This paper explores the use of the cokriging method for structural reliability problems by comparing it with the Kriging method based on some numerical examples. The results indicate that the cokriging procedure described in this work can generate approximation models to improve on the accuracy and efficiency for structural reliability problems and is a viable alternative to the kriging.

Reliability based structural design

NARCIS (Netherlands)

Vrouwenvelder, A.C.W.M.

2014-01-01

According to ISO 2394, structures shall be designed, constructed and maintained in such a way that they are suited for their use during the design working life in an economic way. To fulfil this requirement one needs insight into the risk and reliability under expected and non-expected actions. A

Reliability assessment of nuclear structural systems

International Nuclear Information System (INIS)

Reich, M.; Hwang, H.

1983-01-01

Reliability assessment of nuclear structural systems has been receiving more emphasis over the last few years. This paper deals with the recent progress made by the Structural Analysis Division of Brookhaven National Laboratory (BNL), in the development of a probability-based reliability analysis methodology for safety evaluation of reactor containments and other seismic category I structures. An important feature of this methodology is the incorporation of finite element analysis and random vibration theory. By utilizing this method, it is possible to evaluate the safety of nuclear structures under various static and dynamic loads in terms of limit state probability. Progress in other related areas, such as the establishment of probabilistic characteristics for various loads and structural resistance, are also described. Results of an application of the methodology to a realistic reinforced concrete containment subjected to dead and live loads, accidental internal pressures and earthquake ground accelerations are presented

Interactive Reliability-Based Optimization of Structural Systems

DEFF Research Database (Denmark)

Pedersen, Claus

In order to introduce the basic concepts within the field of reliability-based structural optimization problems, this chapter is devoted to a brief outline of the basic theories. Therefore, this chapter is of a more formal nature and used as a basis for the remaining parts of the thesis. In section...... 2.2 a general non-linear optimization problem and corresponding terminology are presented whereupon optimality conditions and the standard form of an iterative optimization algorithm are outlined. Subsequently, the special properties and characteristics concerning structural optimization problems...... are treated in section 2.3. With respect to the reliability evalutation, the basic theory behind a reliability analysis and estimation of probability of failure by the First-Order Reliability Method (FORM) and the iterative Rackwitz-Fiessler (RF) algorithm are considered in section 2.5 in which...

Reliability-Based Optimization of Structural Elements

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

In this paper structural elements from an optimization point of view are considered, i.e. only the geometry of a structural element is optimized. Reliability modelling of the structural element is discussed both from an element point of view and from a system point of view. The optimization...

Reliability considerations of electronics components for the deep underwater muon and neutrino detection system

International Nuclear Information System (INIS)

Leskovar, B.

1980-02-01

The reliability of some electronics components for the Deep Underwater Muon and Neutrino Detection (DUMAND) System is discussed. An introductory overview of engineering concepts and technique for reliability assessment is given. Component reliability is discussed in the contest of major factors causing failures, particularly with respect to physical and chemical causes, process technology and testing, and screening procedures. Failure rates are presented for discrete devices and for integrated circuits as well as for basic electronics components. Furthermore, the military reliability specifications and standards for semiconductor devices are reviewed

Evaluation criteria of structural steel reliability

International Nuclear Information System (INIS)

Zav'yalov, A.S.

1980-01-01

Different low-carbon and medium-carbon structural steels are investigated. It is stated that steel reliability evaluation criteria depend on the fracture mode, steel suffering from the brittle fracture under the influence of the stresses (despite their great variety) arising in articles during the production and operation. Fibrous steel fracture at the given temperature and article thickness says about its high ductility and toughness and brittle fractures are impossible. Brittle fractures take place in case of a crystalline and mixed fracture with a predominant crystalline component. Evaluation methods of article and sample steel structural strength differing greatly from real articles in a thickness (diameter) or used at temperatures higher than possible operation temperatures cannot be reliability evaluation criteria because at a great thickness (diameter) and lower operation temperatures steel fracture and its strain mode can change resulting in a sharp reliability degradation

Reliability analysis of prestressed concrete containment structures

International Nuclear Information System (INIS)

Jiang, J.; Zhao, Y.; Sun, J.

1993-01-01

The reliability analysis of prestressed concrete containment structures subjected to combinations of static and dynamic loads with consideration of uncertainties of structural and load parameters is presented. Limit state probabilities for given parameters are calculated using the procedure developed at BNL, while that with consideration of parameter uncertainties are calculated by a fast integration for time variant structural reliability. The limit state surface of the prestressed concrete containment is constructed directly incorporating the prestress. The sensitivities of the Choleskey decomposition matrix and the natural vibration character are calculated by simplified procedures. (author)

Modeling of humidity-related reliability in enclosures with electronics

DEFF Research Database (Denmark)

Hygum, Morten Arnfeldt; Popok, Vladimir

2015-01-01

Reliability of electronics that operate outdoor is strongly affected by environmental factors such as temperature and humidity. Fluctuations of these parameters can lead to water condensation inside enclosures. Therefore, modelling of humidity distribution in a container with air and freely exposed...

Analysis of time-dependent reliability of degenerated reinforced concrete structure

Directory of Open Access Journals (Sweden)

Zhang Hongping

2016-07-01

Full Text Available Durability deterioration of structure is a highly random process. The maintenance of degenerated structure involves the calculation of the reliability of time-dependent structure. This study introduced reinforced concrete structure resistance decrease model and related statistical parameters of uncertainty, analyzed resistance decrease rules of corroded bending element of reinforced concrete structure, and finally calculated timedependent reliability of the corroded bending element of reinforced concrete structure, aiming to provide a specific theoretical basis for the application of time-dependent reliability theory.

Techniques for increasing the reliability of accelerator control system electronics

International Nuclear Information System (INIS)

Utterback, J.

1993-09-01

As the physical size of modern accelerators becomes larger and larger, the number of required control system circuit boards increases, and the probability of one of those circuit boards failing while in service also increases. In order to do physics, the experimenters need the accelerator to provide beam reliably with as little down time as possible. With the advent of colliding beams physics, reliability becomes even more important due to the fact that a control system failure can cause the loss of painstakingly produced antiprotons. These facts prove the importance of keeping reliability in mind when designing and maintaining accelerator control system electronics

Fuse Modeling for Reliability Study of Power Electronic Circuits

DEFF Research Database (Denmark)

Bahman, Amir Sajjad; Iannuzzo, Francesco; Blaabjerg, Frede

2017-01-01

This paper describes a comprehensive modeling approach on reliability of fuses used in power electronic circuits. When fuses are subjected to current pulses, cyclic temperature stress is introduced to the fuse element and will wear out the component. Furthermore, the fuse may be used in a large......, and rated voltage/current are opposed to shift in time to effect early breaking during the normal operation of the circuit. Therefore, in such cases, a reliable protection required for the other circuit components will not be achieved. The thermo-mechanical models, fatigue analysis and thermo...

Estimation of structural reliability under combined loads

International Nuclear Information System (INIS)

Shinozuka, M.; Kako, T.; Hwang, H.; Brown, P.; Reich, M.

1983-01-01

For the overall safety evaluation of seismic category I structures subjected to various load combinations, a quantitative measure of the structural reliability in terms of a limit state probability can be conveniently used. For this purpose, the reliability analysis method for dynamic loads, which has recently been developed by the authors, was combined with the existing standard reliability analysis procedure for static and quasi-static loads. The significant parameters that enter into the analysis are: the rate at which each load (dead load, accidental internal pressure, earthquake, etc.) will occur, its duration and intensity. All these parameters are basically random variables for most of the loads to be considered. For dynamic loads, the overall intensity is usually characterized not only by their dynamic components but also by their static components. The structure considered in the present paper is a reinforced concrete containment structure subjected to various static and dynamic loads such as dead loads, accidental pressure, earthquake acceleration, etc. Computations are performed to evaluate the limit state probabilities under each load combination separately and also under all possible combinations of such loads

Some aspects of the interaction between systems- and structural reliability

International Nuclear Information System (INIS)

Schueller, G.K.; Schmitt, W.

1979-01-01

The purpose of this paper is to study the interaction between systems- and structural reliability analysis with reference to the design of structural components of LWR. Presently the evaluation of systems reliability is carried out apart from structural reliability analysis. Moreover, two basically different methodologies are used for analysis. While in systems analysis the simplified binary approach is still generally accepted, in structural reliability one has to resort to more sophisticated procedures to obtain realistic results. The interactive effect may be illustrated as follows: For example, the integrity of the primary circuit interacts with the integrity of the containment structure. This means that the probability of occurrence of the pipe rupture which may cause a LOCA and consequently leads to a build-up of temperature and pressure within the containment affects directly its structural reliability. The piping system, particularly the primary piping, in turn interacts with the protective system, which is part of the safety system. This piping structure is also subjected to various operational loading conditions. In a numerical example dealing with leakage probabilities of pipes it is shown how methods of structural reliability may be used to gain more insight in the estimation of failure rates of system components. (orig.)

Structural hybrid reliability index and its convergent solving method based on random–fuzzy–interval reliability model

Directory of Open Access Journals (Sweden)

Hai An

2016-08-01

Full Text Available Aiming to resolve the problems of a variety of uncertainty variables that coexist in the engineering structure reliability analysis, a new hybrid reliability index to evaluate structural hybrid reliability, based on the random–fuzzy–interval model, is proposed in this article. The convergent solving method is also presented. First, the truncated probability reliability model, the fuzzy random reliability model, and the non-probabilistic interval reliability model are introduced. Then, the new hybrid reliability index definition is presented based on the random–fuzzy–interval model. Furthermore, the calculation flowchart of the hybrid reliability index is presented and it is solved using the modified limit-step length iterative algorithm, which ensures convergence. And the validity of convergent algorithm for the hybrid reliability model is verified through the calculation examples in literature. In the end, a numerical example is demonstrated to show that the hybrid reliability index is applicable for the wear reliability assessment of mechanisms, where truncated random variables, fuzzy random variables, and interval variables coexist. The demonstration also shows the good convergence of the iterative algorithm proposed in this article.

Stochastic Finite Elements in Reliability-Based Structural Optimization

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Engelund, S.

Application of stochastic finite elements in structural optimization is considered. It is shown how stochastic fields modelling e.g. the modulus of elasticity can be discretized in stochastic variables and how a sensitivity analysis of the reliability of a structural system with respect to optimi......Application of stochastic finite elements in structural optimization is considered. It is shown how stochastic fields modelling e.g. the modulus of elasticity can be discretized in stochastic variables and how a sensitivity analysis of the reliability of a structural system with respect...

Studies in the electronic structure of matter

International Nuclear Information System (INIS)

Swarts, C.A.

1979-01-01

Chapter I: Here the results of various theories for the angular distribution of electrons photoemitted from the outermost p-shell of rare gas atoms are compared. The theories compared are (I) the local density theories of Slater (X/sub α/) and of Hohenberg, Kohn and Sham, (II) the pseudopotential method, (III) Hartree-Fock theory as evaluated by Kennedy and Manson, and (IV) Amusia's Random Phase Approximation with Exchange (RPAE). It is shown that the local density theories, although simple, generally fail to produce reliable cross section; the more complicated Hartree-Fock method is no more reliable; the a priori RPAE method is most reliable, but tedious; and the phenomenological pseudopotential method offers a good combination of reliability and simplicity. The muffin-tin approximation, widely used in molecular and condensed matter physics, is examined and found to be adequate. Chapter II: Extended Hueckel theory is applied to GaAs, GaP and to the nitrogen isoelectronic trap in GaAs and GaP. The computed perfect crystal band structures are found to be in reasonable agreement with those computed with empirical pseudopotentials. Nitrogen impurity levels in GaAs and GaP are calculated using a cluster model. Chapter III: By means of model calculations for an independent electron metal, we obtain exact lineshapes for the photon absorption, emission and photoemission spectra of deep core states. We find in each case an X-ray edge anomaly as pedicted by Nozieres and De Dominicis. Sumrules are used as a general check on the calculations and to explain the deviations of the exact theory from the exciton theory away from threshold

Reliability analysis of grid connected small wind turbine power electronics

International Nuclear Information System (INIS)

Arifujjaman, Md.; Iqbal, M.T.; Quaicoe, J.E.

2009-01-01

Grid connection of small permanent magnet generator (PMG) based wind turbines requires a power conditioning system comprising a bridge rectifier, a dc-dc converter and a grid-tie inverter. This work presents a reliability analysis and an identification of the least reliable component of the power conditioning system of such grid connection arrangements. Reliability of the configuration is analyzed for the worst case scenario of maximum conversion losses at a particular wind speed. The analysis reveals that the reliability of the power conditioning system of such PMG based wind turbines is fairly low and it reduces to 84% of initial value within one year. The investigation is further enhanced by identifying the least reliable component within the power conditioning system and found that the inverter has the dominant effect on the system reliability, while the dc-dc converter has the least significant effect. The reliability analysis demonstrates that a permanent magnet generator based wind energy conversion system is not the best option from the point of view of power conditioning system reliability. The analysis also reveals that new research is required to determine a robust power electronics configuration for small wind turbine conversion systems.

System Reliability of Timber Structures

DEFF Research Database (Denmark)

Kirkegaard, Poul Henning; Sørensen, John Dalsgaard

2010-01-01

elements, alternate load path(s) etc. in the structural design. In general these characteristics can have a positive influence on system reliability of a structure however, in Eurocodes ductility is only awarded for concrete and steel structures but not for timber structures. It is well......-know that structural systems can redistribute internal forces due to ductility of a connection, i.e. some additional loads can be carried by the structure. The same effect is also possible for reinforced concrete structures and structures of steel. However, for timber structures codes do not award that ductility......For reduction of the risk of collapse in the event of loss of structural element(s), a structural engineer may take necessary steps to design a collapse-resistant structure that is insensitive to accidental circumstances e.g. by incorporating characteristics like redundancy, ties, ductility, key...

Reliability data bank in electronics: ITALTEL experience over 10 years of operation

International Nuclear Information System (INIS)

Turconi, G.

1986-01-01

The purpose of this paper is to show the Italtel Reliability Data Bank experience in electronics after ten years from data bank creation. Technological evolution on systems and equipment have originated a reliability data bank evolution in order to maintain and improve its performances. This paper will describe the concepts employed to design the today data bank features enabling it to be an important Company tool for reliability activities. (orig.)

On the NPP structural reliability

International Nuclear Information System (INIS)

Klemin, A.I.; Polyakov, E.F.

1980-01-01

Reviewed are the main statements peculiarities and possibilities of the first branch guiding technical material (GTM) ''The methods of calculation of structural reliability of NPP and its systems at the stage of projecting''. It is stated, that in GTM presented are recomendations on the calculation of reliability of such specific systems, as the system of the reactor control and protection the system of measuring instruments and automatics and safe systems. GTM are based on analytical methods of modern theory of realibility with the Use of metodology of minimal cross sections of complex systems. It is stressed, that the calculations on the proposed methods permit to calculate a wide complex of reliability parameters, reflecting separately or together prorerties of NPP dependability and maintainability. For NPP, operating by a variable schedule of leading, aditionally considered are parameters, characterizing reliability with account of the proposed regime of power change, i.e. taking into account failures, caused by decrease of the obtained power lower, than the reguired or increase of the required power higher, than the obtained

Reliability assessment of Indian Point Unit 3 containment structure

International Nuclear Information System (INIS)

Kawakami, J.; Hwang, H.; Chang, M.T.; Reich, M.

1984-01-01

In the current design criteria, the load combinations specified for design of concrete containment structures are in the deterministic formats. However, by applying the probability-based reliability method developed by BNL to the concrete containment structures designed according to the criteria, it is possible to evaluate the reliability levels implied in the current design criteria. For this purpose, the reliability analysis is applied to the Indian Point Unit No. 3 containment. The details of the containment structure such as the geometries and the rebar arrangements, etc., are taken from the working drawings and the final safety analysis reports. Three kinds of loads are considered in the reliability analysis. They are, dead load (D), accidental pressure due to a large LOCA (P), and earthquake ground acceleration (E). Reliability analysis of the containment subjected to all combinations of loads is performed. Results are presented in this report

Structural reliability of atomic power plant

International Nuclear Information System (INIS)

Klemin, A.I.; Polyakov, E.F.

1980-01-01

In 1978 the first specialized technical manual ''Technique of Calculating the Structural Reliability of an Atomic Power Plant and Its Systems in the Design Stage'' was developed. The present article contains information about the main characteristics and capabilities of the manual. The manual gives recommendations concerning the calculations of the reliability of such specific systems as the reactor control and safety system, the system of instrumentation and automatic control, and safety systems. 2 refs

Reliability evaluation of containments including soil-structure interaction

International Nuclear Information System (INIS)

Pires, J.; Hwang, H.; Reich, M.

1985-12-01

Soil-structure interaction effects on the reliability assessment of containment structures are examined. The probability-based method for reliability evaluation of nuclear structures developed at Brookhaven National Laboratory is extended to include soil-structure interaction effects. In this method, reliability of structures is expressed in terms of limit state probabilities. Furthermore, random vibration theory is utilized to calculate limit state probabilities under random seismic loads. Earthquake ground motion is modeled by a segment of a zero-mean, stationary, filtered Gaussian white noise random process, represented by its power spectrum. All possible seismic hazards at a site, represented by a hazard curve, are also included in the analysis. The soil-foundation system is represented by a rigid surface foundation on an elastic halfspace. Random and other uncertainties in the strength properties of the structure, in the stiffness and internal damping of the soil, are also included in the analysis. Finally, a realistic reinforced concrete containment is analyzed to demonstrate the application of the method. For this containment, the soil-structure interaction effects on; (1) limit state probabilities, (2) structural fragility curves, (3) floor response spectra with probabilistic content, and (4) correlation coefficients for total acceleration response at specified structural locations, are examined in detail. 25 refs., 21 figs., 12 tabs

Reliability and Robustness Evaluation of Timber Structures

DEFF Research Database (Denmark)

Cizmar, Dean; Sørensen, John Dalsgaard; Kirkegaard, Poul Henning

In the last few decades there have been intensely research concerning reliability of timber structures. This is primarily because there is an increased focus on society on sustainability and environmental aspects. Modern timber as a building material is also being competitive compared to concrete...... and steel. However, reliability models applied to timber were always related to individual components but not the systems. as any real structure is a complex system, system behaviour must be of a particular interest. In the chapter 1 of this document an overview of stochastic models for strength and loads...... (deterministic, probabilistic and risk based approaches) of the robustness are given. Chapter 3 deals more detailed with the robustness of timber structures....

Efficiency evaluation of an electronic equipment: availability,reliability and maintenance

International Nuclear Information System (INIS)

Guyot, C.

1966-01-01

This concept of efficiency often called ''system effectiveness'', is presented and analyzed in terms of reliability and maintenance. It allows to define the availability factor of an electronic equipment. A procedure of evaluation is proposed. (A.L.B.)

Reliability of structural systems subject to fatigue

International Nuclear Information System (INIS)

Rackwitz, R.

1984-01-01

Concepts and computational procedures for the reliability calculation of structural systems subject to fatigue are outlined. Systems are dealt with by approximately computing componential times to first failure. So-called first-order reliability methods are then used to formulate dependencies between componential failures and to evaluate the system failure probability. (Author) [pt

Structural Reliability Methods for Wind Power Converter System Component Reliability Assessment

DEFF Research Database (Denmark)

Kostandyan, Erik; Sørensen, John Dalsgaard

2012-01-01

Wind power converter systems are essential subsystems in both off-shore and on-shore wind turbines. It is the main interface between generator and grid connection. This system is affected by numerous stresses where the main contributors might be defined as vibration and temperature loadings....... The temperature variations induce time-varying stresses and thereby fatigue loads. A probabilistic model is used to model fatigue failure for an electrical component in the power converter system. This model is based on a linear damage accumulation and physics of failure approaches, where a failure criterion...... is defined by the threshold model. The attention is focused on crack propagation in solder joints of electrical components due to the temperature loadings. Structural Reliability approaches are used to incorporate model, physical and statistical uncertainties. Reliability estimation by means of structural...

Review of Industrial Applications of Structural Reliability Theory

DEFF Research Database (Denmark)

Thoft-Christensen, Palle

For the last two decades we have seen an increasing interest in applying structural reliability theory to many different industries. However, the number of real practical applications is much smaller than what one would expect.......For the last two decades we have seen an increasing interest in applying structural reliability theory to many different industries. However, the number of real practical applications is much smaller than what one would expect....

Optimal Structural Reliability of Offshore Wind Turbines

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Tarp-Johansen, N.J.

2005-01-01

The main failure modes of modern large wind turbines are fatigue failure of wings, hub, shaft and main tower, local buckling of main tower, and failure of the foundation. This paper considers reliability-based optimal design of wind turbines. Compared to onshore wind turbines and building...... structures, humans spent little time in the vicinity of offshore wind turbines and the probability of human injury during storm conditions is small. Further environmental pollution will also in general be small in case of failure. One could therefore argue that the reliability level of offshore wind turbines...... can be lower than for onshore wind turbines and other civil engineering structures and can be assessed by reliability-based cost-optimization. Specifically this paper considers the main tower and foundation. Both fatigue and ultimate strength failure modes are included. Different formulations...

Stochastic Finite Elements in Reliability-Based Structural Optimization

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Engelund, S.

1995-01-01

Application of stochastic finite elements in structural optimization is considered. It is shown how stochastic fields modelling e.g. the modulus of elasticity can be discretized in stochastic variables and how a sensitivity analysis of the reliability of a structural system with respect to optimi......Application of stochastic finite elements in structural optimization is considered. It is shown how stochastic fields modelling e.g. the modulus of elasticity can be discretized in stochastic variables and how a sensitivity analysis of the reliability of a structural system with respect...... to optimization variables can be performed. A computer implementation is described and an illustrative example is given....

Assessment of structural reliability of precast concrete buildings

Directory of Open Access Journals (Sweden)

Koyankin Alexandr

2018-01-01

Full Text Available Precast housing construction is currently being under rapid development, however, reliability of building structures made from precast reinforced concrete cannot be assessed rationally due to insufficient research data on that subject. In this regard, experimental and numerical studies were conducted to assess structural reliability of precast buildings as described in the given paper. Experimental studies of full-scale and model samples were conducted; numerical studies were held based on finite element models using “Lira” software. The objects under study included fragment of flooring of a building under construction, full-size fragment of flooring, full-scale models of precast cross-beams-to-columns joints and joints between hollow-core floor slabs and precast and cast-in-place cross-beams. Conducted research enabled to perform an objective assessment of structural reliability of precast buildings.

Reliability of Capacitors for DC-Link Applications in Power Electronic Converters

DEFF Research Database (Denmark)

Wang, Huai; Blaabjerg, Frede

2014-01-01

DC-link capacitors are an important part in the majority of power electronic converters which contribute to cost, size and failure rate on a considerable scale. From capacitor users' viewpoint, this paper presents a review on the improvement of reliability of dc link in power electronic converters...... from two aspects: 1) reliability-oriented dc-link design solutions; 2) conditioning monitoring of dc-link capacitors during operation. Failure mechanisms, failure modes and lifetime models of capacitors suitable for the applications are also discussed as a basis to understand the physics......-of-failure. This review serves to provide a clear picture of the state-of-the-art research in this area and to identify the corresponding challenges and future research directions for capacitors and their dc-link applications....

Analysis of NPP protection structure reliability under impact of a falling aircraft

International Nuclear Information System (INIS)

Shul'man, G.S.

1996-01-01

Methodology for evaluation of NPP protection structure reliability by impact of aircraft fall down is considered. The methodology is base on the probabilistic analysis of all potential events. The problem is solved in three stages: determination of loads on structural units, calculation of local reliability of protection structures by assigned loads and estimation of the structure reliability. The methodology proposed may be applied at the NPP design stage and by determination of reliability of already available structures

Future of structural reliability methodology in nuclear power plant technology

Energy Technology Data Exchange (ETDEWEB)

Schueeller, G I [Technische Univ. Muenchen (Germany, F.R.); Kafka, P [Gesellschaft fuer Reaktorsicherheit m.b.H. (GRS), Garching (Germany, F.R.)

1978-10-01

This paper presents the authors' personal view as to which areas of structural reliability in nuclear power plant design need most urgently to be advanced. Aspects of simulation modeling, design rules, codification and specification of reliability, system analysis, probabilistic structural dynamics, rare events and particularly the interaction of systems and structural reliability are discussed. As an example, some considerations of the interaction effects between the protective systems and the pressure vessel are stated. The paper concludes with recommendation for further research.

The electronic structures of solids

CERN Document Server

Coles, B R

2013-01-01

The Electronic Structures of Solids aims to provide students of solid state physics with the essential concepts they will need in considering properties of solids that depend on their electronic structures and idea of the electronic character of particular materials and groups of materials. The book first discusses the electronic structure of atoms, including hydrogen atom and many-electron atom. The text also underscores bonding between atoms and electrons in metals. Discussions focus on bonding energies and structures in the solid elements, eigenstates of free-electron gas, and electrical co

Reliability-Based Design of Coastal Structures

DEFF Research Database (Denmark)

Burcharth, H. F.

1997-01-01

The objective of this paper is to introduce the application of reliability theory for conceptual design and evaluation of coastal structures. It is without the scope to discuss the validity and quality of the various design formulae available for coastal structures. The contents of the paper is a....... Proceedings Conference of Port and Coastal Engineering in developing countries. Rio de Janeiro, Brazil, 1995....

Reliability assessment of aging structures subjected to gradual and shock deteriorations

International Nuclear Information System (INIS)

Wang, Cao; Zhang, Hao; Li, Quanwang

2017-01-01

Civil structures and infrastructure facilities are susceptible to deterioration posed by the effects of natural hazards and aggressive environmental conditions. These factors may increase the risk of service interruption of infrastructures, and should be taken into account when assessing the structural reliability during an infrastructure's service life. Modeling the resistance deterioration process reasonably is the basis for structural reliability analysis. In this paper, a novel model is developed for describing the deterioration of aging structures. The deterioration is a combination of two stochastic processes: the gradual deterioration posed by environmental effects and the shock deterioration caused by severe load attacks. The dependency of the deterioration magnitude on the load intensity is considered. The Gaussian copula function is employed to help construct the joint distribution of correlated random variables. Semi-analytical methods are developed to assess the structural failure time and the number of significant load events (shocks) to failure. Illustrative examples are presented to demonstrate the applicability of the proposed model in structural reliability analysis. Parametric studies are performed to investigate the role of deterioration-load correlation in structural reliability. - Highlights: • A new resistance deterioration model for aging structures is proposed. • Time-dependent reliability analysis methods incorporating the proposed deterioration model are developed. • Parametric studies are performed to investigate the role of deterioration-load correlation in structural reliability.

Electronic device for endosurgical skills training (EDEST): study of reliability.

Science.gov (United States)

Pagador, J B; Uson, J; Sánchez, M A; Moyano, J L; Moreno, J; Bustos, P; Mateos, J; Sánchez-Margallo, F M

2011-05-01

Minimally Invasive Surgery procedures are commonly used in many surgical practices, but surgeons need specific training models and devices due to its difficulty and complexity. In this paper, an innovative electronic device for endosurgical skills training (EDEST) is presented. A study on reliability for this device was performed. Different electronic components were used to compose this new training device. The EDEST was focused on two basic laparoscopic tasks: triangulation and coordination manoeuvres. A configuration and statistical software was developed to complement the functionality of the device. A calibration method was used to assure the proper work of the device. A total of 35 subjects (8 experts and 27 novices) were used to check the reliability of the system using the MTBF analysis. Configuration values for triangulation and coordination exercises were calculated as 0.5 s limit threshold and 800-11,000 lux range of light intensity, respectively. Zero errors in 1,050 executions (0%) for triangulation and 21 errors in 5,670 executions (0.37%) for coordination were obtained. A MTBF of 2.97 h was obtained. The results show that the reliability of the EDEST device is acceptable when used under previously defined light conditions. These results along with previous work could demonstrate that the EDEST device can help surgeons during first training stages.

A parallel orbital-updating based plane-wave basis method for electronic structure calculations

International Nuclear Information System (INIS)

Pan, Yan; Dai, Xiaoying; Gironcoli, Stefano de; Gong, Xin-Gao; Rignanese, Gian-Marco; Zhou, Aihui

2017-01-01

Highlights: • Propose three parallel orbital-updating based plane-wave basis methods for electronic structure calculations. • These new methods can avoid the generating of large scale eigenvalue problems and then reduce the computational cost. • These new methods allow for two-level parallelization which is particularly interesting for large scale parallelization. • Numerical experiments show that these new methods are reliable and efficient for large scale calculations on modern supercomputers. - Abstract: Motivated by the recently proposed parallel orbital-updating approach in real space method , we propose a parallel orbital-updating based plane-wave basis method for electronic structure calculations, for solving the corresponding eigenvalue problems. In addition, we propose two new modified parallel orbital-updating methods. Compared to the traditional plane-wave methods, our methods allow for two-level parallelization, which is particularly interesting for large scale parallelization. Numerical experiments show that these new methods are more reliable and efficient for large scale calculations on modern supercomputers.

Implosion lessons from national security, high reliability spacecraft, electronics, and the forces which changed them

CERN Document Server

Temple, L Parker

2012-01-01

Implosion is a focused study of the history and uses of high-reliability, solid-state electronics, military standards, and space systems that support our national security and defense. This book is unique in combining the interdependent evolution of and interrelationships among military standards, solid-state electronics, and very high-reliability space systems. Starting with a brief description of the physics that enabled the development of the first transistor, Implosion covers the need for standardizing military electronics, which began during World War II and continu

Junction Temperature Control for More Reliable Power Electronics

DEFF Research Database (Denmark)

Andresen, Markus; Ma, Ke; Buticchi, Giampaolo

2018-01-01

The thermal stress of power electronic components is one of the most important causes of their failure. Proper thermal management plays an important role for more reliable and cost-effective energy conversion. As one of the most vulnerable and expensive components, power semiconductor components ...... the desired cost-benefit tradeoff. This paper analyzes also the many open questions of this research area. Among them, it is worth highlighting that a verification of the actual lifetime extension is still missing....

Non-destructive Reliability Evaluation of Electronic Device by ESPI

International Nuclear Information System (INIS)

Yoon, Sung Un; Kim, Koung Suk; Kang, Ki Soo; Jo, Seon Hyung

2001-01-01

This paper propose electronic speckle pattern interferometry(ESPI) for reliability evaluation of electronic device. Especially, vibration problem in a fan of air conditioner, motor of washing machine and etc. is important factor to design the devices. But, it is difficult to apply previous method, accelerometer to the devices with complex geometry. ESPI, non-contact measurement technique applies a commercial fan of air conditioner to vibration analysis. Vibration mode shapes, natural frequency and the range of the frequency are decided and compared with that of FEM analysis. In mechanical deign of new product, ESPI adds weak point of previous method to supply effective design information

Extented second moment algebra as an efficient tool in structural reliability

International Nuclear Information System (INIS)

Ditlevsen, O.

1982-01-01

During the seventies, second moment structural reliability analysis was extensively discussed with respect to philosophy and method. One recent clarification into a consistent formalism is represented by the extended second moment reliability theory with the generalized reliability index as its measure of safety. Its methods of formal failure probability calculations are useful independent of the opinion that one may adopt about the philosophy of the second moment reliability formalism. After an introduction of the historical development of the philosphy the paper gives a short introductory review of the extended second moment structural reliability theory. (orig.)

Reliability of high power electron accelerators for radiation processing

Energy Technology Data Exchange (ETDEWEB)

Zimek, Z. [Department of Radiation Chemistry and Technology, Institute of Nuclear Chemistry and Technology, Warsaw (Poland)

2011-07-01

Accelerators applied for radiation processing are installed in industrial facilities where accelerator availability coefficient should be at the level of 95% to fulfill requirements according to industry standards. Usually the exploitation of electron accelerator reviles the number of short and few long lasting failures. Some technical shortages can be overcome by practical implementation the experience gained in accelerator technology development by different accelerator manufactures. The reliability/availability of high power accelerators for application in flue gas treatment process must be dramatically improved to meet industrial standards. Support of accelerator technology dedicated for environment protection should be provided by governmental and international institutions to overcome accelerator reliability/availability problem and high risk and low direct profit in this particular application. (author)

Reliability of high power electron accelerators for radiation processing

International Nuclear Information System (INIS)

Zimek, Z.

2011-01-01

Accelerators applied for radiation processing are installed in industrial facilities where accelerator availability coefficient should be at the level of 95% to fulfill requirements according to industry standards. Usually the exploitation of electron accelerator reviles the number of short and few long lasting failures. Some technical shortages can be overcome by practical implementation the experience gained in accelerator technology development by different accelerator manufactures. The reliability/availability of high power accelerators for application in flue gas treatment process must be dramatically improved to meet industrial standards. Support of accelerator technology dedicated for environment protection should be provided by governmental and international institutions to overcome accelerator reliability/availability problem and high risk and low direct profit in this particular application. (author)

Climatic Reliability of Electronics: Early Prediction and Control of Contamination and humidity effects

DEFF Research Database (Denmark)

Verdingovas, Vadimas

were to a significant extent guided by the climatic reliability issues the electronic companies are currently facing. The research in this thesis is focused on the synergistic effects of process related contamination, humidity, potential bias, and PCBA design related aspects, while various tests...... assuming parasitic circuit due to water layer formation on the PCBA surface. The chapters 2-5 review the factors influencing the climatic reliability of electronics namely humidity interaction with materials and ionic contamination on the PCBA surface, common types and sources of ionic contamination...... in electronics, the test methods and techniques, and failure mechanisms related to climate and contamination. Chapter 6 summarizes the materials and experimental methods employed in this thesis. The results of various investigations are presented as individual research papers as published or in the draft form...

The effect of corrosion on the structural reliability of steel offshore structures

International Nuclear Information System (INIS)

Melchers, Robert E.

2005-01-01

This paper considers essential theoretical concepts and data requirements for engineering structural reliability assessment suitable for the estimation of the safety and reliability of corroding ships, offshore structures and pipelines. Such infrastructure operates in a harsh environment. Allowance must be made for structural deterioration since protective measures such as paint coatings, galvanizing or cathodic protection may be ineffective. Reliability analysis requires accurate engineering models for the description and prediction of material corrosion loss and for the maximum depth of pitting. New probability-based models for both these forms of corrosion have been proposed recently and calibrated against a wide range of data. The effects of water velocity and of water pollution are reviewed and compared with recently reported field data for a corrosion at an offshore oil platform. The data interpreted according to the model show good correlation when allowance is made for the season of first immersion and the adverse effects of seawater velocity and of water pollution. An example is given to illustrate the application of reliability analysis to a pipeline subject to pitting corrosion. An important outcome is that good quality estimation of the longer-term probability of loss of structural integrity requires good modelling of the longer-term corrosion behaviour. This is usually associated with anaerobic corrosion. As a result, it cannot be extrapolated from data for short-term corrosion as this is associated with aerobic corrosion conditions

The effect of corrosion on the structural reliability of steel offshore structures

Energy Technology Data Exchange (ETDEWEB)

Melchers, Robert E. [Centre for Infrastructure Performance and Reliability, Department of Civil, Surveying and Environmental Engineering, School of Engineering, University of Newcastle, University Drive, Callaghan NSW 2300 (Australia)]. E-mail: rob.melchers@newcastle.edu.au

2005-10-01

This paper considers essential theoretical concepts and data requirements for engineering structural reliability assessment suitable for the estimation of the safety and reliability of corroding ships, offshore structures and pipelines. Such infrastructure operates in a harsh environment. Allowance must be made for structural deterioration since protective measures such as paint coatings, galvanizing or cathodic protection may be ineffective. Reliability analysis requires accurate engineering models for the description and prediction of material corrosion loss and for the maximum depth of pitting. New probability-based models for both these forms of corrosion have been proposed recently and calibrated against a wide range of data. The effects of water velocity and of water pollution are reviewed and compared with recently reported field data for a corrosion at an offshore oil platform. The data interpreted according to the model show good correlation when allowance is made for the season of first immersion and the adverse effects of seawater velocity and of water pollution. An example is given to illustrate the application of reliability analysis to a pipeline subject to pitting corrosion. An important outcome is that good quality estimation of the longer-term probability of loss of structural integrity requires good modelling of the longer-term corrosion behaviour. This is usually associated with anaerobic corrosion. As a result, it cannot be extrapolated from data for short-term corrosion as this is associated with aerobic corrosion conditions.

Selected Methods For Increases Reliability The Of Electronic Systems Security

Directory of Open Access Journals (Sweden)

Paś Jacek

2015-11-01

Full Text Available The article presents the issues related to the different methods to increase the reliability of electronic security systems (ESS for example, a fire alarm system (SSP. Reliability of the SSP in the descriptive sense is a property preservation capacity to implement the preset function (e.g. protection: fire airport, the port, logistics base, etc., at a certain time and under certain conditions, e.g. Environmental, despite the possible non-compliance by a specific subset of elements this system. Analyzing the available literature on the ESS-SSP is not available studies on methods to increase the reliability (several works similar topics but moving with respect to the burglary and robbery (Intrusion. Based on the analysis of the set of all paths in the system suitability of the SSP for the scenario mentioned elements fire events (device critical because of security.

Reliability of containment and safety-related structures

International Nuclear Information System (INIS)

Nessim, M.A.

1995-09-01

A research program on Reliability of Containment and Safety-related Structures has been developed and is described in this document. This program is designed to support AECB's regulatory activities aimed at ensuring the safety of these structures. These activities include evaluating submissions by operators and requesting special assessments when necessary. The results of the proposed research will also be useful in revising and enhancing the CSA design standards for containment and safety-related structures. The process of developing the research program started with an information collection and review phase. The sources of information included C-FER's previous work in the area, various recent research publications, regulatory documents and relevant design standards, and a detailed discussion with AECB staff. The second step was to outline the process of reliability evaluation, and identify the required models and parameters. Comparison between the required and available information was used to identify gaps in the state-of-the-art, and the research program was designed to fill these gaps. The program is organized in four major topics, namely: development of an approach for reliability analysis; compilation and development of the required analysis tools; application to specific problems related to design, assessment, maintenance and testing of structures; and testing and validation. It is suggested that the program should be supported by an on-going process of communication and consultation between AECB staff and industry experts. This will lend credibility to the results and facilitate their future application. (author). 1 fig

Contribution to high voltage matrix switches reliability

International Nuclear Information System (INIS)

Lausenaz, Yvan

2000-01-01

Nowadays, power electronic equipment requirements are important, concerning performances, quality and reliability. On the other hand, costs have to be reduced in order to satisfy the market rules. To provide cheap, reliability and performances, many standard components with mass production are developed. But the construction of specific products must be considered following these two different points: in one band you can produce specific components, with delay, over-cost problems and eventuality quality and reliability problems, in the other and you can use standard components in a adapted topologies. The CEA of Pierrelatte has adopted this last technique of power electronic conception for the development of these high voltage pulsed power converters. The technique consists in using standard components and to associate them in series and in parallel. The matrix constitutes high voltage macro-switch where electrical parameters are distributed between the synchronized components. This study deals with the reliability of these structures. It brings up the high reliability aspect of MOSFETs matrix associations. Thanks to several homemade test facilities, we obtained lots of data concerning the components we use. The understanding of defects propagation mechanisms in matrix structures has allowed us to put forwards the necessity of robust drive system, adapted clamping voltage protection, and careful geometrical construction. All these reliability considerations in matrix associations have notably allowed the construction of a new matrix structure regrouping all solutions insuring reliability. Reliable and robust, this product has already reaches the industrial stage. (author) [fr

Reliability based Robustness of Timber Structures through NDT Data Updating

DEFF Research Database (Denmark)

Sousa, Hélder S.; Sørensen, John Dalsgaard; Kirkegaard, Poul Henning

2011-01-01

This work presents a framework for reliability-based assessment of timber structures / members using data gathered from non-destructive test results. These results are used for modeling an update of the mechanical characteristics of timber, using Bayesian methods. Results gathered from ultrasound...... of the structure, thus, being possible to evaluate reliability based in time dependent factors, as well to categorize that structure in terms of robustness. For exemplification of the underlined concepts, three different types of structures are studied....

Thermal Management and Reliability of Automotive Power Electronics and Electric Machines

Energy Technology Data Exchange (ETDEWEB)

Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bennion, Kevin S [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Cousineau, Justine E [National Renewable Energy Laboratory (NREL), Golden, CO (United States); DeVoto, Douglas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Feng, Xuhui [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Kekelia, Bidzina [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Kozak, Joseph P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Major, Joshua [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moreno, Gilberto [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Paret, Paul P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Tomerlin, Jeff J [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

2018-02-09

Low-cost, high-performance thermal management technologies are helping meet aggressive power density, specific power, cost, and reliability targets for power electronics and electric machines. The National Renewable Energy Laboratory is working closely with numerous industry and research partners to help influence development of components that meet aggressive performance and cost targets through development and characterization of cooling technologies, and thermal characterization and improvements of passive stack materials and interfaces. Thermomechanical reliability and lifetime estimation models are important enablers for industry in cost-and time-effective design.

Analysis of performance reliability of electrical and electronic equipment of car-tractor

Directory of Open Access Journals (Sweden)

Kravchenko О.Р.

2016-08-01

Full Text Available The analysis of the operational reliability of electrical and electronic equipment of vehicles, trucks Mercedes-Benz Actros 1844 LS and Volvo FH 1242, conducting international cargo transportation is performed. It is established that the equipment is reliable, which meets modern requirements, but where there is a violation of the resolution. The reason for repair work is constructive and operational factors. Distribution of efficiency and overall performance of operational reliability is retrieved. Items with more bounce are found. Common factors of violation of efficiency cars, trucks in operation, are largely different stages in warranty runs are obtained.

Compilation of the calculation elements of the electronic equipments reliability

International Nuclear Information System (INIS)

Lefevre, R.; D'Harcourt, A.; Dupuy, G.

1968-01-01

The aim of this work is to allow the practical execution of the estimated calculation of the electronic devices reliability and to standardize the source and the approach of the calculations while giving a systematic character to their execution mode. The systematic character of the calculations allows a comparison of the reliability of different materials and a rapid control of the calculations validity; at last, it brings out the use conditions of all the components of a set. A reliability calculation made according to the method described here reveals: -components badly used -the relative influence on the reliability of the set, of a component or a components group taking into account of the number, of the characteristics and of the use of these ones. At last, the results of the calculation allows to organize the exploitation (availability) and the maintenance (staff, stock of components) of the materials. The failure rates given in this book are only relating to the components service-life and do not correspond to precocious failures. (authors) [fr

First-principles study of the structural and electronic properties of III-phosphides

Energy Technology Data Exchange (ETDEWEB)

Ahmed, Rashid [Centre for High Energy Physics, University of the Punjab, Lahore 54590 (Pakistan)], E-mail: rasofi@hotmail.com; Fazal-e-Aleem [Centre for High Energy Physics, University of the Punjab, Lahore 54590 (Pakistan); Hashemifar, S. Javad; Akbarzadeh, Hadi [Department of Physics, Isfahan University of Technology, Isfahan 84156 (Iran, Islamic Republic of)

2008-05-01

We use density functional theory and different forms of the exchange-correlation approximation to calculate the structural and electronic properties of tetrahedrally coordinated III-phosphide semiconductors. The computed results for structural properties using generalized gradient approximation (GGA) agree well with the experimental data. For reliable description of energy band gap values, another form of GGA developed by Engel and Vosko has been applied. As anticipated, boron phosphide was found to be the hardest compound due to the strong B-P covalent bonding.

Structural reliability methods: Code development status

Science.gov (United States)

Millwater, Harry R.; Thacker, Ben H.; Wu, Y.-T.; Cruse, T. A.

1991-05-01

The Probabilistic Structures Analysis Method (PSAM) program integrates state of the art probabilistic algorithms with structural analysis methods in order to quantify the behavior of Space Shuttle Main Engine structures subject to uncertain loadings, boundary conditions, material parameters, and geometric conditions. An advanced, efficient probabilistic structural analysis software program, NESSUS (Numerical Evaluation of Stochastic Structures Under Stress) was developed as a deliverable. NESSUS contains a number of integrated software components to perform probabilistic analysis of complex structures. A nonlinear finite element module NESSUS/FEM is used to model the structure and obtain structural sensitivities. Some of the capabilities of NESSUS/FEM are shown. A Fast Probability Integration module NESSUS/FPI estimates the probability given the structural sensitivities. A driver module, PFEM, couples the FEM and FPI. NESSUS, version 5.0, addresses component reliability, resistance, and risk.

Reliability analysis of an offshore structure

DEFF Research Database (Denmark)

Sorensen, J. D.; Faber, M. H.; Thoft-Christensen, P.

1992-01-01

A jacket type offshore structure from the North Sea is considered. The time variant reliability is estimated for failure defined as brittle fracture and crack through the tubular member walls. The stochastic modelling is described. The hot spot stress spectral moments as function of the stochasti...

Reliability and safety engineering

CERN Document Server

Verma, Ajit Kumar; Karanki, Durga Rao

2016-01-01

Reliability and safety are core issues that must be addressed throughout the life cycle of engineering systems. Reliability and Safety Engineering presents an overview of the basic concepts, together with simple and practical illustrations. The authors present reliability terminology in various engineering fields, viz.,electronics engineering, software engineering, mechanical engineering, structural engineering and power systems engineering. The book describes the latest applications in the area of probabilistic safety assessment, such as technical specification optimization, risk monitoring and risk informed in-service inspection. Reliability and safety studies must, inevitably, deal with uncertainty, so the book includes uncertainty propagation methods: Monte Carlo simulation, fuzzy arithmetic, Dempster-Shafer theory and probability bounds. Reliability and Safety Engineering also highlights advances in system reliability and safety assessment including dynamic system modeling and uncertainty management. Cas...

Structural reliability analysis and seismic risk assessment

International Nuclear Information System (INIS)

Hwang, H.; Reich, M.; Shinozuka, M.

1984-01-01

This paper presents a reliability analysis method for safety evaluation of nuclear structures. By utilizing this method, it is possible to estimate the limit state probability in the lifetime of structures and to generate analytically the fragility curves for PRA studies. The earthquake ground acceleration, in this approach, is represented by a segment of stationary Gaussian process with a zero mean and a Kanai-Tajimi Spectrum. All possible seismic hazard at a site represented by a hazard curve is also taken into consideration. Furthermore, the limit state of a structure is analytically defined and the corresponding limit state surface is then established. Finally, the fragility curve is generated and the limit state probability is evaluated. In this paper, using a realistic reinforced concrete containment as an example, results of the reliability analysis of the containment subjected to dead load, live load and ground earthquake acceleration are presented and a fragility curve for PRA studies is also constructed

Reliability Analysis of Elasto-Plastic Structures

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Sørensen, John Dalsgaard

1984-01-01

. Failure of this type of system is defined either as formation of a mechanism or by failure of a prescribed number of elements. In the first case failure is independent of the order in which the elements fail, but this is not so by the second definition. The reliability analysis consists of two parts...... are described and the two definitions of failure can be used by the first formulation, but only the failure definition based on formation of a mechanism by the second formulation. The second part of the reliability analysis is an estimate of the failure probability for the structure on the basis...

Estimation of structural reliability under combined loads

International Nuclear Information System (INIS)

Shinozuka, M.; Kako, T.; Hwang, H.; Brown, P.; Reich, M.

1983-01-01

For the overall safety evaluation of seismic category I structures subjected to various load combinations, a quantitative measure of the structural reliability in terms of a limit state probability can be conveniently used. For this purpose, the reliability analysis method for dynamic loads, which has recently been developed by the authors, was combined with the existing standard reliability analysis procedure for static and quasi-static loads. The significant parameters that enter into the analysis are: the rate at which each load (dead load, accidental internal pressure, earthquake, etc.) will occur, its duration and intensity. All these parameters are basically random variables for most of the loads to be considered. For dynamic loads, the overall intensity is usually characterized not only by their dynamic components but also by their static components. The structure considered in the present paper is a reinforced concrete containment structure subjected to various static and dynamic loads such as dead loads, accidental pressure, earthquake acceleration, etc. Computations are performed to evaluate the limit state probabilities under each load combination separately and also under all possible combinations of such loads. Indeed, depending on the limit state condition to be specified, these limit state probabilities can indicate which particular load combination provides the dominant contribution to the overall limit state probability. On the other hand, some of the load combinations contribute very little to the overall limit state probability. These observations provide insight into the complex problem of which load combinations must be considered for design, for which limit states and at what level of limit state probabilities. (orig.)

Structural Reliability Aspects in Design of Wind Turbines

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

2007-01-01

Reliability assessment, optimal design and optimal operation and maintenance of wind turbines are an area of significant interest for the fast growing wind turbine industry for sustainable production of energy. Offshore wind turbines in wind farms give special problems due to wake effects inside...... the farm. Reliability analysis and optimization of wind turbines require that the special conditions for wind turbine operation are taken into account. Control of the blades implies load reductions for large wind speeds and parking for high wind speeds. In this paper basic structural failure modes for wind...... turbines are described. Further, aspects are presented related to reliability-based optimization of wind turbines, assessment of optimal reliability level and operation and maintenance....

Seismic reliability assessment of RC structures including soil–structure interaction using wavelet weighted least squares support vector machine

International Nuclear Information System (INIS)

Khatibinia, Mohsen; Javad Fadaee, Mohammad; Salajegheh, Javad; Salajegheh, Eysa

2013-01-01

An efficient metamodeling framework in conjunction with the Monte-Carlo Simulation (MCS) is introduced to reduce the computational cost in seismic reliability assessment of existing RC structures. In order to achieve this purpose, the metamodel is designed by combining weighted least squares support vector machine (WLS-SVM) and a wavelet kernel function, called wavelet weighted least squares support vector machine (WWLS-SVM). In this study, the seismic reliability assessment of existing RC structures with consideration of soil–structure interaction (SSI) effects is investigated in accordance with Performance-Based Design (PBD). This study aims to incorporate the acceptable performance levels of PBD into reliability theory for comparing the obtained annual probability of non-performance with the target values for each performance level. The MCS method as the most reliable method is utilized to estimate the annual probability of failure associated with a given performance level in this study. In WWLS-SVM-based MCS, the structural seismic responses are accurately predicted by WWLS-SVM for reducing the computational cost. To show the efficiency and robustness of the proposed metamodel, two RC structures are studied. Numerical results demonstrate the efficiency and computational advantages of the proposed metamodel for the seismic reliability assessment of structures. Furthermore, the consideration of the SSI effects in the seismic reliability assessment of existing RC structures is compared to the fixed base model. It shows which SSI has the significant influence on the seismic reliability assessment of structures.

An automatic chip structure optical inspection system for electronic components

Science.gov (United States)

Song, Zhichao; Xue, Bindang; Liang, Jiyuan; Wang, Ke; Chen, Junzhang; Liu, Yunhe

2018-01-01

An automatic chip structure inspection system based on machine vision is presented to ensure the reliability of electronic components. It consists of four major modules, including a metallographic microscope, a Gigabit Ethernet high-resolution camera, a control system and a high performance computer. An auto-focusing technique is presented to solve the problem that the chip surface is not on the same focusing surface under the high magnification of the microscope. A panoramic high-resolution image stitching algorithm is adopted to deal with the contradiction between resolution and field of view, caused by different sizes of electronic components. In addition, we establish a database to storage and callback appropriate parameters to ensure the consistency of chip images of electronic components with the same model. We use image change detection technology to realize the detection of chip images of electronic components. The system can achieve high-resolution imaging for chips of electronic components with various sizes, and clearly imaging for the surface of chip with different horizontal and standardized imaging for ones with the same model, and can recognize chip defects.

Reliability-based optimal structural design by the decoupling approach

International Nuclear Information System (INIS)

Royset, J.O.; Der Kiureghian, A.; Polak, E.

2001-01-01

A decoupling approach for solving optimal structural design problems involving reliability terms in the objective function, the constraint set or both is discussed and extended. The approach employs a reformulation of each problem, in which reliability terms are replaced by deterministic functions. The reformulated problems can be solved by existing semi-infinite optimization algorithms and computational reliability methods. It is shown that the reformulated problems produce solutions that are identical to those of the original problems when the limit-state functions defining the reliability problem are affine. For nonaffine limit-state functions, approximate solutions are obtained by solving series of reformulated problems. An important advantage of the approach is that the required reliability and optimization calculations are completely decoupled, thus allowing flexibility in the choice of the optimization algorithm and the reliability computation method

Reliability Analysis of Sealing Structure of Electromechanical System Based on Kriging Model

Science.gov (United States)

Zhang, F.; Wang, Y. M.; Chen, R. W.; Deng, W. W.; Gao, Y.

2018-05-01

The sealing performance of aircraft electromechanical system has a great influence on flight safety, and the reliability of its typical seal structure is analyzed by researcher. In this paper, we regard reciprocating seal structure as a research object to study structural reliability. Having been based on the finite element numerical simulation method, the contact stress between the rubber sealing ring and the cylinder wall is calculated, and the relationship between the contact stress and the pressure of the hydraulic medium is built, and the friction force on different working conditions are compared. Through the co-simulation, the adaptive Kriging model obtained by EFF learning mechanism is used to describe the failure probability of the seal ring, so as to evaluate the reliability of the sealing structure. This article proposes a new idea of numerical evaluation for the reliability analysis of sealing structure, and also provides a theoretical basis for the optimal design of sealing structure.

Position Mooring Control Based on a Structural Reliability Criterion

DEFF Research Database (Denmark)

Fang, Shaoji; Leira, Bernt J.; Blanke, Mogens

2013-01-01

is achieved using structural reliability indices in a cost function, where both the mean mooring-line tension and dynamic effects are considered. An optimal set-point is automatically produced without need for manual interaction. The parameters of the extreme value distribution are calculated on-line thereby...... mooring lines simultaneously from exceeding a stress threshold, this paper suggests a new algorithm to determine the reference position and an associated control system. The safety of each line is assessed through a structural reliability index. A reference position where all mooring lines are safe...

A study in the reliability analysis method for nuclear power plant structures (I)

Energy Technology Data Exchange (ETDEWEB)

Oh, Byung Hwan; Choi, Seong Cheol; Shin, Ho Sang; Yang, In Hwan; Kim, Yi Sung; Yu, Young; Kim, Se Hun [Seoul, Nationl Univ., Seoul (Korea, Republic of)

1999-03-15

Nuclear power plant structures may be exposed to aggressive environmental effects that may cause their strength and stiffness to decrease over their service life. Although the physics of these damage mechanisms are reasonably well understood and quantitative evaluation of their effects on time-dependent structural behavior is possible in some instances, such evaluations are generally very difficult and remain novel. The assessment of existing steel containment in nuclear power plants for continued service must provide quantitative evidence that they are able to withstand future extreme loads during a service period with an acceptable level of reliability. Rational methodologies to perform the reliability assessment can be developed from mechanistic models of structural deterioration, using time-dependent structural reliability analysis to take loading and strength uncertainties into account. The final goal of this study is to develop the analysis method for the reliability of containment structures. The cause and mechanism of corrosion is first clarified and the reliability assessment method has been established. By introducing the equivalent normal distribution, the procedure of reliability analysis which can determine the failure probabilities has been established. The influence of design variables to reliability and the relation between the reliability and service life will be continued second year research.

Assessment of Electronic Circuits Reliability Using Boolean Truth Table Modeling Method

International Nuclear Information System (INIS)

EI-Shanshoury, A.I.

2011-01-01

This paper explores the use of Boolean Truth Table modeling Method (BTTM) in the analysis of qualitative data. It is widely used in certain fields especially in the fields of electrical and electronic engineering. Our work focuses on the evaluation of power supply circuit reliability using (BTTM) which involves systematic attempts to falsify and identify hypotheses on the basis of truth tables constructed from qualitative data. Reliability parameters such as the system's failure rates for the power supply case study are estimated. All possible state combinations (operating and failed states) of the major components in the circuit were listed and their effects on overall system were studied

Structural Reliability of the Nigerian Grown Abura Timber Bridge ...

African Journals Online (AJOL)

Structural reliability analysis was carried out on the Nigerian grown Abura timber, to ascertain its structural performance as timber bridge beams. Samples of the Nigerian grown Abura timber were bought from timber market, seasoned naturally and their structural/strength properties were determined at a moisture content of ...

Efficiency criteria for high reliability measured system structures

International Nuclear Information System (INIS)

Sal'nikov, N.L.

2012-01-01

The procedures of structural redundancy are usually used to develop high reliability measured systems. To estimate efficiency of such structures the criteria to compare different systems has been developed. So it is possible to develop more exact system by inspection of redundant system data unit stochastic characteristics in accordance with the developed criteria [ru

Further HTGR core support structure reliability studies. Interim report No. 1

International Nuclear Information System (INIS)

Platus, D.L.

1976-01-01

Results of a continuing effort to investigate high temperature gas cooled reactor (HTGR) core support structure reliability are described. Graphite material and core support structure component physical, mechanical and strength properties required for the reliability analysis are identified. Also described are experimental and associated analytical techniques for determining the required properties, a procedure for determining number of tests required, properties that might be monitored by special surveillance of the core support structure to improve reliability predictions, and recommendations for further studies. Emphasis in the study is directed towards developing a basic understanding of graphite failure and strength degradation mechanisms; and validating analytical methods for predicting strength and strength degradation from basic material properties

On Industrial Application of Structural Reliability Theory

DEFF Research Database (Denmark)

Thoft-Christensen, Palle

For the last two decades we have seen an increasing interest in applying structural reliability theory to many different industries. However, the number of real applications is much smaller than what one would expect. At the beginning most applications were in the design/analyses area especially...

Reliability assessment of Indian Point Unit 3 containment structure under combined loads

International Nuclear Information System (INIS)

Hwang, H.; Shinozuka, M.; Kawakami, J.; Reich, M.

1984-01-01

In the current design criteria, the load combinations specified for design of concrete containment structures are in the deterministic format. However, by applying the probability-based reliability analysis method developed by BNL to the concrete containment structures designed according to the criteria, it is possible to evaluate the reliability levels implied in the current design criteria. For this purpose, the reliability analysis is applied to the Indian Point Unit No. 3 containment. The details of the containment structure such as the geometries and the rebar arrangements, etc., are taken from the working drawings and the Final Safety Analysis Report. Three kinds of loads are considered in the reliability analysis. They are, dead load, accidental pressure due to a large LOCA, and earthquake ground acceleration. This paper presents the reliability analysis results of the Indian Point Unit 3 containment subjected to all combinations of loads

All-electron ab initio investigation of the electronic states of the PdC molecule

DEFF Research Database (Denmark)

Shim, Irene; Gingerich, Karl A.

2001-01-01

The electronic structure of transition metal containing molecules are extremely complicated and extensive calculations are required for reliable descriptions. In spite of this the results can often be interpreted in simple terms. The electronic structure of PdC is consistent with the molecular or...

Electronic structure and tautomerism of thioamides

Energy Technology Data Exchange (ETDEWEB)

Novak, Igor, E-mail: inovak@csu.edu.au [Charles Sturt University, POB 883, Orange, NSW 2800 (Australia); Klasinc, Leo, E-mail: klasinc@irb.hr [Physical Chemistry Department, Ruđer Bošković Institute, HR-10002 Zagreb (Croatia); McGlynn, Sean P., E-mail: sean.mcglynn@chemgate.chem.lsu.edu [Louisiana State University, Baton Rouge, LA 70803 (United States)

2016-05-15

Highlights: • Electronic structure of thioamide group and its relation to Lewis basicity. • Tautomerism of the (thio)amide groups. • Substituent effects on the electronic structure of (thio)amide group. - Abstract: The electronic structures of several thioamides have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of thioamide derivatives are discussed. The predominant tautomers in the gas phase are of keto–(thio)keto form. The addition of cyclohexanone moiety to the thioamide group enhances the Lewis base character of the sulfur atom. The addition of phenyl group to the (thio)amide group significantly affects its electronic structure.

Reliability analysis of RC containment structures under combined loads

International Nuclear Information System (INIS)

Hwang, H.; Reich, M.; Kagami, S.

1984-01-01

This paper discusses a reliability analysis method and load combination design criteria for reinforced concrete containment structures under combined loads. The probability based reliability analysis method is briefly described. For load combination design criteria, derivations of the load factors for accidental pressure due to a design basis accident and safe shutdown earthquake (SSE) for three target limit state probabilities are presented

Design of a composite structure to achieve a specified reliability level

International Nuclear Information System (INIS)

Boyer, C.; Beakou, A.; Lemaire, M.

1997-01-01

Safety factors are widely used in structural design. For composite material structures, however, the lack of experimental feed-back does not allow the use of safety factors optimized from cost and reliability point of view. Reliability methods are one way to achieve the calibration of partial safety factors using a more rational method than judgement alone. First we present the calibration process. The reliability methods FORM, SORM, simulation, are initially applied to a laminate plate under uniform pressure. In this example, we compare three design criteria; the different reliability methods agree with the reference method for all criteria used. We chose the Tsai-Hill criteria and the FORM method to calculate safety factors. Then, a calibration process is undertaken on a composite pipe and this serves to illustrate the different steps in the calculation. Finally, we present a calibration of a general plate structure. The partial safety factors and their sensitivities to the different parameters of the stochastic variables are given according to load type

Electronics for Piezoelectric Smart Structures

Science.gov (United States)

Warkentin, D. J.; Tani, J.

1997-01-01

This paper briefly presents work addressing some of the basic considerations for the electronic components used in smart structures incorporating piezoelectric elements. After general remarks on the application of piezoelectric elements to the problem of structural vibration control, three main topics are described. Work to date on the development of techniques for embedding electronic components within structural parts is presented, followed by a description of the power flow and dissipation requirements of those components. Finally current work on the development of electronic circuits for use in an 'active wall' for acoustic noise is introduced.

The Seismic Reliability of Offshore Structures Based on Nonlinear Time History Analyses

International Nuclear Information System (INIS)

Hosseini, Mahmood; Karimiyani, Somayyeh; Ghafooripour, Amin; Jabbarzadeh, Mohammad Javad

2008-01-01

Regarding the past earthquakes damages to offshore structures, as vital structures in the oil and gas industries, it is important that their seismic design is performed by very high reliability. Accepting the Nonlinear Time History Analyses (NLTHA) as the most reliable seismic analysis method, in this paper an offshore platform of jacket type with the height of 304 feet, having a deck of 96 feet by 94 feet, and weighing 290 million pounds has been studied. At first, some Push-Over Analyses (POA) have been preformed to recognize the more critical members of the jacket, based on the range of their plastic deformations. Then NLTHA have been performed by using the 3-components accelerograms of 100 earthquakes, covering a wide range of frequency content, and normalized to three Peak Ground Acceleration (PGA) levels of 0.3 g, 0.65 g, and 1.0 g. By using the results of NLTHA the damage and rupture probabilities of critical member have been studied to assess the reliability of the jacket structure. Regarding that different structural members of the jacket have different effects on the stability of the platform, an ''importance factor'' has been considered for each critical member based on its location and orientation in the structure, and then the reliability of the whole structure has been obtained by combining the reliability of the critical members, each having its specific importance factor

Control of climatics environments to enhance reliability of electronics systems

International Nuclear Information System (INIS)

Sekhon, K.S.

1979-01-01

The techniques to control temperature and humidity to reduce failures in semiconductor devices are presented. The maximum operating junction temperature affects the electronic system reliability, and the equation for the junction temperature of the device shows that internal and external thermal resistances affect component life. Junction temperature reductions up to 60 C were achieved by the development of heat pipes for microcircuits, which will enhance electronics life by 32 times. Humidity control by improved sealing and use of heaters to prevent moisture condensation proved difficult and costly, and high pressure dehydrators were heavy and expensive. Therefore, low pressure dehydrator was developed which is smaller, lighter, and less expensive. The development of low pressure dehumidifying system including test data is presented

Reliability Analysis of Timber Structures through NDT Data Upgrading

DEFF Research Database (Denmark)

Sousa, Hélder; Sørensen, John Dalsgaard; Kirkegaard, Poul Henning

The first part of this document presents, in chapter 2, a description of timber characteristics and common used NDT and MDT for timber elements. Stochastic models for timber properties and damage accumulation models are also referred. According to timber’s properties a framework is proposed...... for a safety reassessment procedure. For that purpose a theoretical background for structural reliability assessment including probabilistic concepts for structural systems and stochastic models are given in chapter 3. System models, both series and parallel systems, are presented as well as methods...... for robustness are dealt in chapter 5. The second part of this document begins in chapter 6, where a practical application of the premise definitions and methodologies is given through the implementation of upgraded models with NDT and MDT data. Structural life-cycle is, therefore, assessed and reliability...

Carbon Electrode-Molecule Junctions: A Reliable Platform for Molecular Electronics.

Science.gov (United States)

Jia, Chuancheng; Ma, Bangjun; Xin, Na; Guo, Xuefeng

2015-09-15

The development of reliable approaches to integrate individual or a small collection of molecules into electrical nanocircuits, often termed "molecular electronics", is currently a research focus because it can not only overcome the increasing difficulties and fundamental limitations of miniaturization of current silicon-based electronic devices, but can also enable us to probe and understand the intrinsic properties of materials at the atomic- and/or molecular-length scale. This development might also lead to direct observation of novel effects and fundamental discovery of physical phenomena that are not accessible by traditional materials or approaches. Therefore, researchers from a variety of backgrounds have been devoting great effort to this objective, which has started to move beyond simple descriptions of charge transport and branch out in different directions, reflecting the interdisciplinarity. This Account exemplifies our ongoing interest and great effort in developing efficient lithographic methodologies capable of creating molecular electronic devices through the combination of top-down micro/nanofabrication with bottom-up molecular assembly. These devices use nanogapped carbon nanomaterials (such as single-walled carbon nanotubes (SWCNTs) and graphene), with a particular focus on graphene, as point contacts formed by electron beam lithography and precise oxygen plasma etching. Through robust amide linkages, functional molecular bridges terminated with diamine moieties are covalently wired into the carboxylic acid-functionalized nanogaps to form stable carbon electrode-molecule junctions with desired functionalities. At the macroscopic level, to improve the contact interface between electrodes and organic semiconductors and lower Schottky barriers, we used SWCNTs and graphene as efficient electrodes to explore the intrinsic properties of organic thin films, and then build functional high-performance organic nanotransistors with ultrahigh responsivities

Reliability analysis of offshore structures using OMA based fatigue stresses

DEFF Research Database (Denmark)

Silva Nabuco, Bruna; Aissani, Amina; Glindtvad Tarpø, Marius

2017-01-01

focus is on the uncertainty observed on the different stresses used to predict the damage. This uncertainty can be reduced by Modal Based Fatigue Monitoring which is a technique based on continuously measuring of the accelerations in few points of the structure with the use of accelerometers known...... points of the structure, the stress history can be calculated in any arbitrary point of the structure. The accuracy of the estimated actual stress is analyzed by experimental tests on a scale model where the obtained stresses are compared to strain gauges measurements. After evaluating the fatigue...... stresses directly from the operational response of the structure, a reliability analysis is performed in order to estimate the reliability of using Modal Based Fatigue Monitoring for long term fatigue studies....

Durability reliability analysis for corroding concrete structures under uncertainty

Science.gov (United States)

Zhang, Hao

2018-02-01

This paper presents a durability reliability analysis of reinforced concrete structures subject to the action of marine chloride. The focus is to provide insight into the role of epistemic uncertainties on durability reliability. The corrosion model involves a number of variables whose probabilistic characteristics cannot be fully determined due to the limited availability of supporting data. All sources of uncertainty, both aleatory and epistemic, should be included in the reliability analysis. Two methods are available to formulate the epistemic uncertainty: the imprecise probability-based method and the purely probabilistic method in which the epistemic uncertainties are modeled as random variables. The paper illustrates how the epistemic uncertainties are modeled and propagated in the two methods, and shows how epistemic uncertainties govern the durability reliability.

Reliability-Based Structural Optimization of Wave Energy Converters

Directory of Open Access Journals (Sweden)

Simon Ambühl

2014-12-01

Full Text Available More and more wave energy converter (WEC concepts are reaching prototypelevel. Once the prototype level is reached, the next step in order to further decrease thelevelized cost of energy (LCOE is optimizing the overall system with a focus on structuraland maintenance (inspection costs, as well as on the harvested power from the waves.The target of a fully-developed WEC technology is not maximizing its power output,but minimizing the resulting LCOE. This paper presents a methodology to optimize thestructural design of WECs based on a reliability-based optimization problem and the intentto maximize the investor’s benefits by maximizing the difference between income (e.g., fromselling electricity and the expected expenses (e.g., structural building costs or failure costs.Furthermore, different development levels, like prototype or commercial devices, may havedifferent main objectives and will be located at different locations, as well as receive varioussubsidies. These points should be accounted for when performing structural optimizationsof WECs. An illustrative example on the gravity-based foundation of the Wavestar deviceis performed showing how structural design can be optimized taking target reliability levelsand different structural failure modes due to extreme loads into account.

Structural system reliability calculation using a probabilistic fault tree analysis method

Science.gov (United States)

Torng, T. Y.; Wu, Y.-T.; Millwater, H. R.

1992-01-01

The development of a new probabilistic fault tree analysis (PFTA) method for calculating structural system reliability is summarized. The proposed PFTA procedure includes: developing a fault tree to represent the complex structural system, constructing an approximation function for each bottom event, determining a dominant sampling sequence for all bottom events, and calculating the system reliability using an adaptive importance sampling method. PFTA is suitable for complicated structural problems that require computer-intensive computer calculations. A computer program has been developed to implement the PFTA.

Safety management of pipelines based on structural reliability: historical perspective and progress

Energy Technology Data Exchange (ETDEWEB)

Beck, Andre Teofilo; Bazan, Felipe Alexander Vargas [Universidade de Sao Paulo (USP), SP (Brazil); Mendes, Renato [Petroleo Brasileiro S.A. (PETROBRAS), Rio de Janeiro, RJ (Brazil); Donato, Guilherme [Petroleo Brasileiro S.A. (PETROBRAS/CENPES), Rio de Janeiro, RJ (Brazil). Centro de Pesquisas e Desenvolvimento; Gardiner, Michael [GL Noble Denton, Loughborough (United Kingdom)

2012-07-01

Since the early beginnings in the sixties and seventies, Structural Reliability theory has reached a mature stage encompassing solid theoretical developments and increasing practical applications. Structural reliability methods have permeated the engineering profession, finding applications in code calibration, structural optimization, life extension of existing structures, life-cycle management of infrastructure risks and costs, and so on. This review paper shows that the ground work for Reliability Based Design and Assessment (RBDA) of onshore pipeline systems is already developed. Hence, this allows the economic management of the risks involved in operation of pipeline systems. It is shown that RBDA is a rational tool to safely manage the operational life of pipeline systems, optimizing initial design and the expenditures in inspection and maintenance operations. (author)

Fingerprint-based structure retrieval using electron density.

Science.gov (United States)

Yin, Shuangye; Dokholyan, Nikolay V

2011-03-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

Reliability-Based Calibration of Load Duration Factors for Timber Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Svensson, Staffan; Stang, Birgitte Friis Dela

2005-01-01

John Dalsgaard Sørensen, Staffan Svensson, Birgitte Dela Stang : Reliability-Based Calibration of Load Duration Factors for Timber Structures     Abstract :   The load bearing capacity of timber structures decrease with time depending on the type of load and timber. Based on representative limit...... states and stochastic models for timber structures, load duration factors are calibrated using probabilistic methods. Load duration e.ects are estimated on basis of simulation of realizations of wind, snow and imposed loads in accordance with the load models in the Danish structural codes. Three damage...... accumulation models are considered, namely Gerhards model, Barrett and Foschi _ s model and Foschi and Yao _ s model. The parameters in these models are .tted by the Maximum Likelihood Method using data relevant for Danish structural timber and the statistical uncertainty is quanti .ed. The reliability...

Reliability analysis applied to structural tests

Science.gov (United States)

Diamond, P.; Payne, A. O.

1972-01-01

The application of reliability theory to predict, from structural fatigue test data, the risk of failure of a structure under service conditions because its load-carrying capability is progressively reduced by the extension of a fatigue crack, is considered. The procedure is applicable to both safe-life and fail-safe structures and, for a prescribed safety level, it will enable an inspection procedure to be planned or, if inspection is not feasible, it will evaluate the life to replacement. The theory has been further developed to cope with the case of structures with initial cracks, such as can occur in modern high-strength materials which are susceptible to the formation of small flaws during the production process. The method has been applied to a structure of high-strength steel and the results are compared with those obtained by the current life estimation procedures. This has shown that the conventional methods can be unconservative in certain cases, depending on the characteristics of the structure and the design operating conditions. The suitability of the probabilistic approach to the interpretation of the results from full-scale fatigue testing of aircraft structures is discussed and the assumptions involved are examined.

On the use of NDT Data for Reliability-Based Assessment of Existing Timber Structures

DEFF Research Database (Denmark)

Sousa, Hélder S.; Sørensen, John Dalsgaard; Kirkegaard, Poul Henning

2013-01-01

The objective of this paper is to address the possibilities of using non-destructive testing (NDT) data for updating information and obtaining adequate characterization of the reliability level of existing timber structures and, also, for assessing the evolution in time of performance...... of these structures when exposed to deterioration. By improving the knowledge upon the mechanical properties of timber, better and more substantiated decisions after a reliability safety assessment are aimed at. Bayesian methods are used to update the mechanical properties of timber and reliability assessment......, and information of NDT is also used to calibrate these models. The proposed approach is used for reliability assessment of different structural timber systems. Reliability of the structural system is assessed regarding the failure consequences of individual elements defined as key elements which were determined...

Atomic and electronic structures of novel silicon surface structures

Energy Technology Data Exchange (ETDEWEB)

Terry, J.H. Jr.

1997-03-01

The modification of silicon surfaces is presently of great interest to the semiconductor device community. Three distinct areas are the subject of inquiry: first, modification of the silicon electronic structure; second, passivation of the silicon surface; and third, functionalization of the silicon surface. It is believed that surface modification of these types will lead to useful electronic devices by pairing these modified surfaces with traditional silicon device technology. Therefore, silicon wafers with modified electronic structure (light-emitting porous silicon), passivated surfaces (H-Si(111), Cl-Si(111), Alkyl-Si(111)), and functionalized surfaces (Alkyl-Si(111)) have been studied in order to determine the fundamental properties of surface geometry and electronic structure using synchrotron radiation-based techniques.

Adsorbate-induced modification of electronic band structure of epitaxial Bi(111) films

Energy Technology Data Exchange (ETDEWEB)

Matetskiy, A.V., E-mail: mateckij@iacp.dvo.ru [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Bondarenko, L.V.; Tupchaya, A.Y.; Gruznev, D.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Eremeev, S.V. [Institute of Strength Physics and Materials Science, 634021 Tomsk (Russian Federation); Tomsk State University, 634050 Tomsk (Russian Federation); Zotov, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation); Department of Electronics, Vladivostok State University of Economics and Service, 690600 Vladivostok (Russian Federation); Saranin, A.A. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation)

2017-06-01

Highlights: • Modification of electronic properties of ultrathin Bi films by adsorbates is demonstrated. • Due to electron doping from Cs adatoms, surface-state bands shift to higher binding energies. • As a result, only electron pockets are left in the Fermi map. • Tin acts as an acceptor dopant for Bi, shifting Fermi level upward. • As a result, only hole pockets are left in the Fermi map. - Abstract: Changes of the electronic band structure of Bi(111) films on Si(111) induced by Cs and Sn adsorption have been studied using angle-resolved photoemission spectroscopy and density functional theory calculations. It has been found that small amounts of Cs when it presents at the surface in a form of the adatom gas leads to shifting of the surface and quantum well states to the higher binding energies due to the electron donation from adsorbate to the Bi film. In contrast, adsorbed Sn dissolves into the Bi film bulk upon heating and acts as an acceptor dopant, that results in shifting of the surface and quantum well states upward to the lower binding energies. These results pave the way to manipulate with the Bi thin film electron band structure allowing to achieve a certain type of conductivity (electron or hole) with a single spin channel at the Fermi level making the adsorbate-modified Bi a reliable base for prospective spintronics applications.

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

Electronic structure of molecular Rydberg states of some small molecules and molecular ion

International Nuclear Information System (INIS)

Sun Biao; Li Jiaming

1993-01-01

Based on an independent-particle-approximation (i.e. the multiple scattering self-consistent-field theory), the electronic structures of Rydberg states of the small diatomic molecules H 2 , He 2 and the He 2 + molecular ion were studied. The principal quantum number of the first state of the Rydberg series is determined from a convention of the limit of the molecular electronic configuration. The dynamics of the excited molecules and molecular ion has been elucidated. The theoretical results are in fair agreement with the existing experimental measurements, thus they can serve as a reliable basis for future refined treatment such as the configuration interaction calculation

Partial Safety Factors and Target Reliability Level in Danish Structural Codes

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Hansen, J. O.; Nielsen, T. A.

2001-01-01

The partial safety factors in the newly revised Danish structural codes have been derived using a reliability-based calibration. The calibrated partial safety factors result in the same average reliability level as in the previous codes, but a much more uniform reliability level has been obtained....... The paper describes the code format, the stochastic models and the resulting optimised partial safety factors....

A reliable method for the stability analysis of structures ...

African Journals Online (AJOL)

The detection of structural configurations with singular tangent stiffness matrix is essential because they can be unstable. The secondary paths, especially in unstable buckling, can play the most important role in the loss of stability and collapse of the structure. A new method for reliable detection and accurate computation of ...

Electronic structure and phase equilibria in ternary substitutional alloys

International Nuclear Information System (INIS)

Traiber, A.J.S.; Allen, S.M.; Waterstrat, R.M.

1996-01-01

A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate abinitio calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr 0.5 (Ru, Pd) 0.5

MEMS Reliability: Infrastructure, Test Structures, Experiments, and Failure Modes

Energy Technology Data Exchange (ETDEWEB)

TANNER,DANELLE M.; SMITH,NORMAN F.; IRWIN,LLOYD W.; EATON,WILLIAM P.; HELGESEN,KAREN SUE; CLEMENT,J. JOSEPH; MILLER,WILLIAM M.; MILLER,SAMUEL L.; DUGGER,MICHAEL T.; WALRAVEN,JEREMY A.; PETERSON,KENNETH A.

2000-01-01

The burgeoning new technology of Micro-Electro-Mechanical Systems (MEMS) shows great promise in the weapons arena. We can now conceive of micro-gyros, micro-surety systems, and micro-navigators that are extremely small and inexpensive. Do we want to use this new technology in critical applications such as nuclear weapons? This question drove us to understand the reliability and failure mechanisms of silicon surface-micromachined MEMS. Development of a testing infrastructure was a crucial step to perform reliability experiments on MEMS devices and will be reported here. In addition, reliability test structures have been designed and characterized. Many experiments were performed to investigate failure modes and specifically those in different environments (humidity, temperature, shock, vibration, and storage). A predictive reliability model for wear of rubbing surfaces in microengines was developed. The root causes of failure for operating and non-operating MEMS are discussed. The major failure mechanism for operating MEMS was wear of the polysilicon rubbing surfaces. Reliability design rules for future MEMS devices are established.

Quantifiable and Reliable Structural Health Management Systems, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — Major concerns for implementing a practical built-in structural health monitoring system are prediction accuracy and data reliability. It is proposed to develop...

Reliability-based inspection of prestressed concrete containment structures

International Nuclear Information System (INIS)

Pandey, M.D.

1996-03-01

A study was undertaken to develop a reliability-based approach to the planning of inspection programs for prestressed concrete containment structures. The main function of the prestressing system is to ensure the leak integrity of the containment by maintaining a compressive state of stress under the tensile forces which arise in a hypothesized loss of coolant accident. Prestressing force losses (due to creep and shrinkage, stress relaxation or tendon corrosion) can lead to tensile stresses under accident pressure, resulting in loss of containment leak integrity due to concrete cracking and tensile yielding of the non-prestressed reinforcement. Therefore, the evaluation of prestressing inspection programs was based on their effectiveness in maintaining an acceptable reliability level with respect to a limit state representing yeilding of non-prestressed reinforcement. An annual target reliability of 10 -4 was used for this limit state. As specified in CSA-N287.7, the evaluation of prestressing systems for containment structures is based on the results of lift-off tests to determine the prestressing force. For unbonded systems the tests are carried out on a randomly selected sample from each tendon group in the structure. For bonded systems, the test is carried out on an unbonded test beam that matches the section geometry and material properties of the containment structure. It was found that flexural testing is useful in updating the probability of concrete cracking under accident pressure. For unbonded systems, the analysis indicated that the sample size recommended by the CSA Standard (4% of the tendon population) is adequate. The CSA recommendation for a five year inspection interval is conservative unless severe degradation of the prestressing system, characterized by a high prestressing loss rate (>3%) and a large coefficient of variation of the measured prestressing force (>15%), is observed

Accuracy and Transferability of Ab Initio Electronic Band Structure Calculations for Doped BiFeO3

Science.gov (United States)

Gebhardt, Julian; Rappe, Andrew M.

2017-11-01

BiFeO3 is a multiferroic material and, therefore, highly interesting with respect to future oxide electronics. In order to realize such devices, pn junctions need to be fabricated, which are currently impeded by the lack of successful p-type doping in this material. In order to guide the numerous research efforts in this field, we recently finished a comprehensive computational study, investigating the influence of many dopants onto the electronic structure of BiFeO3. In order to allow for this large scale ab initio study, the computational setup had to be accurate and efficient. Here we discuss the details of this assessment, showing that standard density-functional theory (DFT) yields good structural properties. The obtained electronic structure, however, suffers from well-known shortcomings. By comparing the conventional DFT results for alkali and alkaline-earth metal doping with more accurate hybrid-DFT calculations, we show that, in this case, the problems of standard DFT go beyond a simple systematic error. Conventional DFT shows bad transferability and the more reliable hybrid-DFT has to be chosen for a qualitatively correct prediction of doping induced changes in the electronic structure of BiFeO3.

Comparative reliability of structured versus unstructured interviews in the admission process of a residency program.

Science.gov (United States)

Blouin, Danielle; Day, Andrew G; Pavlov, Andrey

2011-12-01

Although never directly compared, structured interviews are reported as being more reliable than unstructured interviews. This study compared the reliability of both types of interview when applied to a common pool of applicants for positions in an emergency medicine residency program. In 2008, one structured interview was added to the two unstructured interviews traditionally used in our resident selection process. A formal job analysis using the critical incident technique guided the development of the structured interview tool. This tool consisted of 7 scenarios assessing 4 of the domains deemed essential for success as a resident in this program. The traditional interview tool assessed 5 general criteria. In addition to these criteria, the unstructured panel members were asked to rate each candidate on the same 4 essential domains rated by the structured panel members. All 3 panels interviewed all candidates. Main outcomes were the overall, interitem, and interrater reliabilities, the correlations between interview panels, and the dimensionality of each interview tool. Thirty candidates were interviewed. The overall reliability reached 0.43 for the structured interview, and 0.81 and 0.71 for the unstructured interviews. Analyses of the variance components showed a high interrater, low interitem reliability for the structured interview, and a high interrater, high interitem reliability for the unstructured interviews. The summary measures from the 2 unstructured interviews were significantly correlated, but neither was correlated with the structured interview. Only the structured interview was multidimensional. A structured interview did not yield a higher overall reliability than both unstructured interviews. The lower reliability is explained by a lower interitem reliability, which in turn is due to the multidimensionality of the interview tool. Both unstructured panels consistently rated a single dimension, even when prompted to assess the 4 specific domains

Reliability of redundant structures of nuclear reactor protection systems

International Nuclear Information System (INIS)

Vojnovic, B.

1983-01-01

In this paper, reliability of various redundant structures of PWR protection systems has been analysed. Structures of reactor tip systems as well as the systems for activation of safety devices have been presented. In all those systems redundancy is achieved by means of so called majority voting logic ('r out of n' structures). Different redundant devices have been compared, concerning probability of occurrence of safe as well as unsafe failures. (author)

An Intelligent Method for Structural Reliability Analysis Based on Response Surface

Institute of Scientific and Technical Information of China (English)

桂劲松; 刘红; 康海贵

2004-01-01

As water depth increases, the structural safety and reliability of a system become more and more important and challenging. Therefore, the structural reliability method must be applied in ocean engineering design such as offshore platform design. If the performance function is known in structural reliability analysis, the first-order second-moment method is often used. If the performance function could not be definitely expressed, the response surface method is always used because it has a very clear train of thought and simple programming. However, the traditional response surface method fits the response surface of quadratic polynomials where the problem of accuracy could not be solved, because the true limit state surface can be fitted well only in the area near the checking point. In this paper, an intelligent computing method based on the whole response surface is proposed, which can be used for the situation where the performance function could not be definitely expressed in structural reliability analysis. In this method, a response surface of the fuzzy neural network for the whole area should be constructed first, and then the structural reliability can be calculated by the genetic algorithm. In the proposed method, all the sample points for the training network come from the whole area, so the true limit state surface in the whole area can be fitted. Through calculational examples and comparative analysis, it can be known that the proposed method is much better than the traditional response surface method of quadratic polynomials, because, the amount of calculation of finite element analysis is largely reduced, the accuracy of calculation is improved,and the true limit state surface can be fitted very well in the whole area. So, the method proposed in this paper is suitable for engineering application.

Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

Science.gov (United States)

Wu, Wei; Fisher, A. J.; Harrison, N. M.; Wang, Hai; Wu, Zhenlin; Gardener, Jules; Heutz, Sandrine; Jones, Tim; Aeppli, Gabriel

2012-12-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine (Cu(II)Pc) crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green's function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α- and β-phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Electronic structure and correlation effects in actinides

International Nuclear Information System (INIS)

Albers, R.C.

1998-01-01

This report consists of the vugraphs given at a conference on electronic structure. Topics discussed are electronic structure, f-bonding, crystal structure, and crystal structure stability of the actinides and how they are inter-related

Hybrid Structural Reliability Analysis under Multisource Uncertainties Based on Universal Grey Numbers

Directory of Open Access Journals (Sweden)

Xingfa Yang

2018-01-01

Full Text Available Nondeterministic parameters of certain distribution are employed to model structural uncertainties, which are usually assumed as stochastic factors. However, model parameters may not be precisely represented due to some factors in engineering practices, such as lack of sufficient data, data with fuzziness, and unknown-but-bounded conditions. To this end, interval and fuzzy parameters are implemented and an efficient approach to structural reliability analysis with random-interval-fuzzy hybrid parameters is proposed in this study. Fuzzy parameters are first converted to equivalent random ones based on the equal entropy principle. 3σ criterion is then employed to transform the equivalent random and the original random parameters to interval variables. In doing this, the hybrid reliability problem is transformed into the one only with interval variables, in other words, nonprobabilistic reliability analysis problem. Nevertheless, the problem of interval extension existed in interval arithmetic, especially for the nonlinear systems. Therefore, universal grey mathematics, which can tackle the issue of interval extension, is employed to solve the nonprobabilistic reliability analysis problem. The results show that the proposed method can obtain more conservative results of the hybrid structural reliability.

Thermal Management and Reliability of Power Electronics and Electric Machines

Energy Technology Data Exchange (ETDEWEB)

Narumanchi, Sreekant

2016-06-13

Increasing the number of electric-drive vehicles (EDVs) on America's roads has been identified as a strategy with near-term potential for dramatically decreasing the nation's dependence on oil - by the U.S. Department of Energy, the federal cross-agency EV-Everywhere Challenge, and the automotive industry. Mass-market deployment will rely on meeting aggressive technical targets, including improved efficiency and reduced size, weight, and cost. Many of these advances will depend on optimization of thermal management. Effective thermal management is critical to improving the performance and ensuring the reliability of EDVs. Efficient heat removal makes higher power densities and lower operating temperatures possible, and in turn enables cost and size reductions. The National Renewable Energy Laboratory (NREL), along with DOE and industry partners is working to develop cost-effective thermal management solutions to increase device and component power densities. In this presentation, the activities in recent years related to thermal management and reliability of automotive power electronics and electric machines are presented.

Reliability Analysis of the CERN Radiation Monitoring Electronic System CROME

CERN Document Server

AUTHOR|(CDS)2126870

For the new in-house developed CERN Radiation Monitoring Electronic System (CROME) a reliability analysis is necessary to ensure compliance with the statu-tory requirements regarding the Safety Integrity Level. The required Safety Integrity Level by IEC 60532 standard is SIL 2 (for the Safety Integrated Functions Measurement, Alarm Triggering and Interlock Triggering). The first step of the reliability analysis was a system and functional analysis which served as basis for the implementation of the CROME system in the software “Iso-graph”. In the “Prediction” module of Isograph the failure rates of all components were calculated. Failure rates for passive components were calculated by the Military Standard 217 and failure rates for active components were obtained from lifetime tests by the manufacturers. The FMEA was carried out together with the board designers and implemented in the “FMECA” module of Isograph. The FMEA served as basis for the Fault Tree Analysis and the detection of weak points...

Reliability data collection and use in risk and availability assessment

International Nuclear Information System (INIS)

Colombari, V.

1989-01-01

For EuReDatA it is a prevailing objective to initiate and support contact between experts, companies and institutions active in reliability engineering and research. Main topics of this 6th EuReDatA Conference are: Reliability data banks; incidents data banks; common cause data; source and propagation of uncertainties; computer aided risk analysis; reliability and incidents data acquisition and processing; human reliability; probabilistic safety and availability assessment; feedback of reliability into system design; data fusion; reliability modeling and techniques; structural and mechanical reliability; consequence modeling; software and electronic reliability; reliability tests. Some conference papers are separately indexed in the database. (HP)

Reliability-based design code calibration for concrete containment structures

International Nuclear Information System (INIS)

Han, B.K.; Cho, H.N.; Chang, S.P.

1991-01-01

In this study, a load combination criteria for design and a probability-based reliability analysis were proposed on the basis of a FEM-based random vibration analysis. The limit state model defined for the study is a serviceability limit state of the crack failure that causes the emission of radioactive materials, and the results are compared with the case of strength limit state. More accurate reliability analyses under various dynamic loads such as earthquake loads were made possible by incorporating the FEM and random vibration theory, which is different from the conventional reliability analysis method. The uncertainties in loads and resistance available in Korea and the references were adapted to the situation of Korea, and especially in case of earthquake, the design earthquake was assessed based on the available data for the probabilistic description of earthquake ground acceleration in the Korea peninsula. The SAP V-2 is used for a three-dimensional finite element analysis of concrete containment structure, and the reliability analysis is carried out by modifying HRAS reliability analysis program for this study. (orig./GL)

Assuring the reliability of structural components - experimental data and non-destructive examination requirements

International Nuclear Information System (INIS)

Lucia, A.C.

1984-01-01

The probability of failure of a structural component can be estimated by either statistical methods or a probabilistic structural reliability approach (where the failure is seen as a level crossing of a damage stochastic process which develops in space and in time). The probabilistic approach has the advantage that it makes available not only an absolute value of the failure probability but also a lot of additional information. The disadvantage of the probabilistic approach is its complexity. It is discussed for the following situations: reliability of a structural component, material properties, data for fatigue crack growth evaluation, a bench mark exercise on reactor pressure vessel failure probability computation, and non-destructive examination for assuring a given level of structural reliability. (U.K.)

Electronic band structure

International Nuclear Information System (INIS)

Grosso, G.

1986-01-01

The aim of this chapter is to present, in detail, some theoretical methods used to calculate electronic band structures in crystals. The basic strategies employed to attack the problem of electronic-structure calculations are presented. Successive sections present the basic formulations of the tight-binding, orthogonalized-plane-wave, Green'sfunction, and pseudopotential methods with a discussion of their application to perfect solids. Exemplifications in the case of a few selected problems provide further insight by the author into the physical aspects of the different methods and are a guide to the use of their mathematical techniques. A discussion is offered of completely a priori Hartree-Fock calculations and attempts to extend them. Special aspects of the different methods are also discussed in light of recently published related work

Phenomenology of the electron structure function

International Nuclear Information System (INIS)

Slominski, W.; Szwed, J.

2001-01-01

The advantages of introducing the electron structure function (ESF) in electron induced processes are demonstrated. Contrary to the photon structure function it is directly measured in such processes. At present energies, a simultaneous analysis of both the electron and the photon structure functions gives an important test of the experimentally applied methods. Estimates of the ESF at LEP momenta are given. At very high momenta contributions from W and Z bosons together with γ-Z interference can be observed. Predictions for the next generation of experiments are given. (orig.)

Electronic structure of point defects in semiconductors

International Nuclear Information System (INIS)

Bruneval, Fabien

2014-01-01

trace concentration (of the order of one part per million). However, owing to the heavy burden of the quantum-mechanical electronic structure calculations, which grow very rapidly with the number of electrons, the present day simulations do not easily exceed a few hundred atoms nowadays. This induces effective defect concentrations of the order of one percent which are very far from the diluted defects observed in the experiments. The extrapolation of high concentrations to low concentrations is difficult because defects in semiconductors often bear a net electric charge which induces long-range interactions between the spuriously interacting charged defects. The first part of my work presents the techniques available in this area, improvements in the techniques and some understanding of these spurious interactions. The second topic addressed in this memoir focuses on improving the electronic structure of defects in semiconductors and insulators. Defects in these materials introduce discrete electronic levels within the band gap of the pristine bulk material. These electronic levels correspond to the electrons involved in the defect states. Their wave function is more or less localized around the defect region and the filling of the state may also vary with the thermodynamic conditions (Fermi level). These levels inside the band gap govern the modification of the properties of electronic and optical transport. Unfortunately the standard ab initio approaches, in the context of Density Functional Theory (DFT), are unable to get the correct band gaps of semiconductors and insulators. This is why many defect properties cannot be predicted with certainty within these approaches. This second part demonstrates how the introduction of the many-body perturbation theory in the so-called GW approximation solves the problem of band gaps and thus allows one to obtain more reliable defect properties. Of course, the field of ab initio electronic structure for defects is far from being

Dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations

International Nuclear Information System (INIS)

Do, Duy Minh; Gao, Wei; Song, Chongmin; Tangaramvong, Sawekchai

2014-01-01

This paper presents the non-deterministic dynamic analysis and reliability assessment of structures with uncertain-but-bounded parameters under stochastic process excitations. Random ground acceleration from earthquake motion is adopted to illustrate the stochastic process force. The exact change ranges of natural frequencies, random vibration displacement and stress responses of structures are investigated under the interval analysis framework. Formulations for structural reliability are developed considering the safe boundary and structural random vibration responses as interval parameters. An improved particle swarm optimization algorithm, namely randomised lower sequence initialized high-order nonlinear particle swarm optimization algorithm, is employed to capture the better bounds of structural dynamic characteristics, random vibration responses and reliability. Three numerical examples are used to demonstrate the presented method for interval random vibration analysis and reliability assessment of structures. The accuracy of the results obtained by the presented method is verified by the randomised Quasi-Monte Carlo simulation method (QMCSM) and direct Monte Carlo simulation method (MCSM). - Highlights: • Interval uncertainty is introduced into structural random vibration responses. • Interval dynamic reliability assessments of structures are implemented. • Boundaries of structural dynamic response and reliability are achieved

Design for reliability in power electronics in renewable energy systems – status and future

DEFF Research Database (Denmark)

Wang, Huai; Blaabjerg, Frede; Ma, Ke

2013-01-01

Advances in power electronics enable efficient and flexible interconnection of renewable sources, loads and electric grids. While targets concerning efficiency of power converters are within reach, recent research endeavors to predict and improve their reliability to ensure high availability, low...... maintenance costs, and herefore, low Levelized-Cost-of-Energy (LCOE) of renewable energy systems. This paper presents the prior-art Design for Reliability (DFR) process for power converters and addresses the paradigm shift to Physics-of-Failure (PoF) approach and mission profile based analysis. Moreover...

An Energy-Based Limit State Function for Estimation of Structural Reliability in Shock Environments

Directory of Open Access Journals (Sweden)

Michael A. Guthrie

2013-01-01

Full Text Available limit state function is developed for the estimation of structural reliability in shock environments. This limit state function uses peak modal strain energies to characterize environmental severity and modal strain energies at failure to characterize the structural capacity. The Hasofer-Lind reliability index is briefly reviewed and its computation for the energy-based limit state function is discussed. Applications to two degree of freedom mass-spring systems and to a simple finite element model are considered. For these examples, computation of the reliability index requires little effort beyond a modal analysis, but still accounts for relevant uncertainties in both the structure and environment. For both examples, the reliability index is observed to agree well with the results of Monte Carlo analysis. In situations where fast, qualitative comparison of several candidate designs is required, the reliability index based on the proposed limit state function provides an attractive metric which can be used to compare and control reliability.

Electronic structure and the mechanism of autoionization for doubly excited states

International Nuclear Information System (INIS)

Komninos, Y.; Makri, N.; Nicolaides, C.A.

1986-01-01

Apart from pure phenomenology, the rigorous and quantitative study of many-electron autoionizing states presents intriguing questions as regards their structure and dynamics. In this paper we present an analysis of such states within a state specific theory with application to five low-lying doubly excited states (DES) of He. The zeroth order description is multiconfigurational and is obtained numerically at the MCHF level. In this way, major radial and angular correlations are accounted for accurately, and reliable predictions can be made without the requirement of large computations. The additional localized correlation is obtained by optimizing variationally analytic virtual orbitals. (orig./WL)

Neglect Of Parameter Estimation Uncertainty Can Significantly Overestimate Structural Reliability

Directory of Open Access Journals (Sweden)

Rózsás Árpád

2015-12-01

Full Text Available Parameter estimation uncertainty is often neglected in reliability studies, i.e. point estimates of distribution parameters are used for representative fractiles, and in probabilistic models. A numerical example examines the effect of this uncertainty on structural reliability using Bayesian statistics. The study reveals that the neglect of parameter estimation uncertainty might lead to an order of magnitude underestimation of failure probability.

Exploration of multi-fold symmetry element-loaded superconducting radio frequency structure for reliable acceleration of low- & medium-beta ion species

International Nuclear Information System (INIS)

Huang, Shichun; Geng, Rongli

2015-09-01

Reliable acceleration of low- to medium-beta proton or heavy ion species is needed for future high-current superconducting radio frequency (SRF) accelerators. Due to the high-Q nature of an SRF resonator, it is sensitive to many factors such as electron loading (from either the accelerated beam or from parasitic field emitted electrons), mechanical vibration, and liquid helium bath pressure fluctuation etc. To increase the stability against those factors, a mechanically strong and stable RF structure is desirable. Guided by this consideration, multi-fold symmetry element-loaded SRF structures (MFSEL), cylindrical tanks with multiple (n>=3) rod-shaped radial elements, are being explored. The top goal of its optimization is to improve mechanical stability. A natural consequence of this structure is a lowered ratio of the peak surface electromagnetic field to the acceleration gradient as compared to the traditional spoke cavity. A disadvantage of this new structure is an increased size for a fixed resonant frequency and optimal beta. This paper describes the optimization of the electro-magnetic (EM) design and preliminary mechanical analysis for such structures.

Electronic structure of silicon superlattices

International Nuclear Information System (INIS)

Krishnamurthy, S.; Moriarty, J.A.

1984-01-01

Utilizing a new complex-band-structure technique, the electronic structure of model Si-Si/sub 1-x/Ge/sub x/ and MOS superlattices has been obtained over a wide range of layer thickness d (11 less than or equal to d less than or equal to 110 A). For d greater than or equal to 44 A, it is found that these systems exhibit a direct fundamental band gap. Further calculations of band-edge effective masses and impurity scattering rates suggest the possibility of a band-structure-driven enhancement in electron mobility over bulk silicon

Neurology objective structured clinical examination reliability using generalizability theory.

Science.gov (United States)

Blood, Angela D; Park, Yoon Soo; Lukas, Rimas V; Brorson, James R

2015-11-03

This study examines factors affecting reliability, or consistency of assessment scores, from an objective structured clinical examination (OSCE) in neurology through generalizability theory (G theory). Data include assessments from a multistation OSCE taken by 194 medical students at the completion of a neurology clerkship. Facets evaluated in this study include cases, domains, and items. Domains refer to areas of skill (or constructs) that the OSCE measures. G theory is used to estimate variance components associated with each facet, derive reliability, and project the number of cases required to obtain a reliable (consistent, precise) score. Reliability using G theory is moderate (Φ coefficient = 0.61, G coefficient = 0.64). Performance is similar across cases but differs by the particular domain, such that the majority of variance is attributed to the domain. Projections in reliability estimates reveal that students need to participate in 3 OSCE cases in order to increase reliability beyond the 0.70 threshold. This novel use of G theory in evaluating an OSCE in neurology provides meaningful measurement characteristics of the assessment. Differing from prior work in other medical specialties, the cases students were randomly assigned did not influence their OSCE score; rather, scores varied in expected fashion by domain assessed. © 2015 American Academy of Neurology.

Reliability- and performance-based robust design optimization of MEMS structures considering technological uncertainties

Science.gov (United States)

Martowicz, Adam; Uhl, Tadeusz

2012-10-01

The paper discusses the applicability of a reliability- and performance-based multi-criteria robust design optimization technique for micro-electromechanical systems, considering their technological uncertainties. Nowadays, micro-devices are commonly applied systems, especially in the automotive industry, taking advantage of utilizing both the mechanical structure and electronic control circuit on one board. Their frequent use motivates the elaboration of virtual prototyping tools that can be applied in design optimization with the introduction of technological uncertainties and reliability. The authors present a procedure for the optimization of micro-devices, which is based on the theory of reliability-based robust design optimization. This takes into consideration the performance of a micro-device and its reliability assessed by means of uncertainty analysis. The procedure assumes that, for each checked design configuration, the assessment of uncertainty propagation is performed with the meta-modeling technique. The described procedure is illustrated with an example of the optimization carried out for a finite element model of a micro-mirror. The multi-physics approach allowed the introduction of several physical phenomena to correctly model the electrostatic actuation and the squeezing effect present between electrodes. The optimization was preceded by sensitivity analysis to establish the design and uncertain domains. The genetic algorithms fulfilled the defined optimization task effectively. The best discovered individuals are characterized by a minimized value of the multi-criteria objective function, simultaneously satisfying the constraint on material strength. The restriction of the maximum equivalent stresses was introduced with the conditionally formulated objective function with a penalty component. The yielded results were successfully verified with a global uniform search through the input design domain.

Design for Reliability and Robustness Tool Platform for Power Electronic Systems – Study Case on Motor Drive Applications

DEFF Research Database (Denmark)

Vernica, Ionut; Wang, Huai; Blaabjerg, Frede

2018-01-01

Because of the high cost of failure, the reliability performance of power semiconductor devices is becoming a more and more important and stringent factor in many energy conversion applications. Thus, the need for appropriate reliability analysis of the power electronics emerges. Due to its...

Structural reliability analysis applied to pipeline risk analysis

Energy Technology Data Exchange (ETDEWEB)

Gardiner, M. [GL Industrial Services, Loughborough (United Kingdom); Mendes, Renato F.; Donato, Guilherme V.P. [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil)

2009-07-01

Quantitative Risk Assessment (QRA) of pipelines requires two main components to be provided. These are models of the consequences that follow from some loss of containment incident, and models for the likelihood of such incidents occurring. This paper describes how PETROBRAS have used Structural Reliability Analysis for the second of these, to provide pipeline- and location-specific predictions of failure frequency for a number of pipeline assets. This paper presents an approach to estimating failure rates for liquid and gas pipelines, using Structural Reliability Analysis (SRA) to analyze the credible basic mechanisms of failure such as corrosion and mechanical damage. SRA is a probabilistic limit state method: for a given failure mechanism it quantifies the uncertainty in parameters to mathematical models of the load-resistance state of a structure and then evaluates the probability of load exceeding resistance. SRA can be used to benefit the pipeline risk management process by optimizing in-line inspection schedules, and as part of the design process for new construction in pipeline rights of way that already contain multiple lines. A case study is presented to show how the SRA approach has recently been used on PETROBRAS pipelines and the benefits obtained from it. (author)

The Reliability of Electronic Health Record Data Used for Obstetrical Research.

Science.gov (United States)

Altman, Molly R; Colorafi, Karen; Daratha, Kenn B

2018-01-01

Hospital electronic health record (EHR) data are increasingly being called upon for research purposes, yet only recently has it been tested to examine its reliability. Studies that have examined reliability of EHR data for research purposes have varied widely in methods used and field of inquiry, with little reporting of the reliability of perinatal and obstetric variables in the current literature. To assess the reliability of data extracted from a commercially available inpatient EHR as compared with manually abstracted data for common attributes used in obstetrical research. Data extracted through automated EHR reports for 3,250 women who delivered a live infant at a large hospital in the Pacific Northwest were compared with manual chart abstraction for the following perinatal measures: delivery method, labor induction, labor augmentation, cervical ripening, vertex presentation, and postpartum hemorrhage. Almost perfect agreement was observed for all four modes of delivery (vacuum assisted: kappa = 0.92; 95% confidence interval [CI] = 0.88-0.95, forceps assisted: kappa = 0.90; 95%CI = 0.76-1.00, cesarean delivery: kappa = 0.91; 95%CI = 0.90-0.93, and spontaneous vaginal delivery: kappa = 0.91; 95%CI = 0.90-0.93). Cervical ripening demonstrated substantial agreement (kappa = 0.77; 95%CI = 0.73-0.80); labor induction (kappa = 0.65; 95%CI = 0.62-0.68) and augmentation (kappa = 0.54; 95%CI = 0.49-0.58) demonstrated moderate agreement between the two data sources. Vertex presentation (kappa = 0.35; 95%CI = 0.31-0.40) and post-partum hemorrhage (kappa = 0.21; 95%CI = 0.13-0.28) demonstrated fair agreement. Our study demonstrates variability in the reliability of obstetrical data collected and reported through the EHR. While delivery method was satisfactorily reliable in our sample, other examined perinatal measures were less so when compared with manual chart abstraction. The use of multiple

Structural reliability in context of statistical uncertainties and modelling discrepancies

International Nuclear Information System (INIS)

Pendola, Maurice

2000-01-01

Structural reliability methods have been largely improved during the last years and have showed their ability to deal with uncertainties during the design stage or to optimize the functioning and the maintenance of industrial installations. They are based on a mechanical modeling of the structural behavior according to the considered failure modes and on a probabilistic representation of input parameters of this modeling. In practice, only limited statistical information is available to build the probabilistic representation and different sophistication levels of the mechanical modeling may be introduced. Thus, besides the physical randomness, other uncertainties occur in such analyses. The aim of this work is triple: 1. at first, to propose a methodology able to characterize the statistical uncertainties due to the limited number of data in order to take them into account in the reliability analyses. The obtained reliability index measures the confidence in the structure considering the statistical information available. 2. Then, to show a methodology leading to reliability results evaluated from a particular mechanical modeling but by using a less sophisticated one. The objective is then to decrease the computational efforts required by the reference modeling. 3. Finally, to propose partial safety factors that are evolving as a function of the number of statistical data available and as a function of the sophistication level of the mechanical modeling that is used. The concepts are illustrated in the case of a welded pipe and in the case of a natural draught cooling tower. The results show the interest of the methodologies in an industrial context. [fr

Reliability of structures by using probability and fatigue theories

International Nuclear Information System (INIS)

Lee, Ouk Sub; Kim, Dong Hyeok; Park, Yeon Chang

2008-01-01

Methodologies to calculate failure probability and to estimate the reliability of fatigue loaded structures are developed. The applicability of the methodologies is evaluated with the help of the fatigue crack growth models suggested by Paris and Walker. The probability theories such as the FORM (first order reliability method), the SORM (second order reliability method) and the MCS (Monte Carlo simulation) are utilized. It is found that the failure probability decreases with the increase of the design fatigue life and the applied minimum stress, the decrease of the initial edge crack size, the applied maximum stress and the slope of Paris equation. Furthermore, according to the sensitivity analysis of random variables, the slope of Pairs equation affects the failure probability dominantly among other random variables in the Paris and the Walker models

Thermal Management and Reliability of Power Electronics and Electric Machines

Energy Technology Data Exchange (ETDEWEB)

Narumanchi, Sreekant

2016-08-03

Increasing the number of electric-drive vehicles (EDVs) on America's roads has been identified as a strategy with near-term potential for dramatically decreasing the nation's dependence on oil -- by the U.S. Department of Energy, the federal cross-agency EV-Everywhere Challenge, and the automotive industry. Mass-market deployment will rely on meeting aggressive technical targets, including improved efficiency and reduced size, weight, and cost. Many of these advances will depend on optimization of thermal management. Effective thermal management is critical to improving the performance and ensuring the reliability of EDVs. Efficient heat removal makes higher power densities and lower operating temperatures possible, and in turn enables cost and size reductions. The National Renewable Energy Laboratory (NREL), along with DOE and industry partners is working to develop cost-effective thermal management solutions to increase device and component power densities. In this presentation, the activities in recent years related to thermal management and reliability of automotive power electronics and electric machines will be presented.

Seismic reliability assessment methodology for CANDU concrete containment structures

International Nuclear Information System (INIS)

Stephens, M.J.; Nessim, M.A.; Hong, H.P.

1995-05-01

A study was undertaken to develop a reliability-based methodology for the assessment of existing CANDU concrete containment structures with respect to seismic loading. The focus of the study was on defining appropriate specified values and partial safety factors for earthquake loading and resistance parameters. Key issues addressed in the work were the identification of an approach to select design earthquake spectra that satisfy consistent safety levels, and the use of structure-specific data in the evaluation of structural resistance. (author). 23 refs., 9 tabs., 15 figs

Reliability of a structured interview for admission to an emergency medicine residency program.

Science.gov (United States)

Blouin, Danielle

2010-10-01

Interviews are most important in resident selection. Structured interviews are more reliable than unstructured ones. We sought to measure the interrater reliability of a newly designed structured interview during the selection process to an Emergency Medicine residency program. The critical incident technique was used to extract the desired dimensions of performance. The interview tool consisted of 7 clinical scenarios and 1 global rating. Three trained interviewers marked each candidate on all scenarios without discussing candidates' responses. Interitem consistency and estimates of variance were computed. Twenty-eight candidates were interviewed. The generalizability coefficient was 0.67. Removing the central tendency ratings increased the coefficient to 0.74. Coefficients of interitem consistency ranged from 0.64 to 0.74. The structured interview tool provided good although suboptimal interrater reliability. Increasing the number of scenarios improves reliability as does applying differential weights to the rating scale anchors. The latter would also facilitate the identification of those candidates with extreme ratings.

Soil-structure interaction effects on the reliability evaluation of reactor containments

International Nuclear Information System (INIS)

Pires, J.; Hwang, H.; Reich, M.

1986-01-01

The probability-based method for the seismic reliability assessment of nuclear structures, which has been developed at Brookhaven National Laboratory (BNL), is extended to include the effects of soil-structure interaction. A reinforced concrete containment building is analyzed in order to examine soil-structure interaction effects on: (1) structural fragilities; (2) floor response spectra statistics; and (3) correlation coefficients for total acceleration responses at specified structural locations

Reliability-Based Structural Optimization of Wave Energy Converters

DEFF Research Database (Denmark)

Ambühl, Simon; Kramer, Morten; Sørensen, John Dalsgaard

2014-01-01

More and more wave energy converter (WEC) concepts are reaching prototype level. Once the prototype level is reached, the next step in order to further decrease the levelized cost of energy (LCOE) is optimizing the overall system with a focus on structural and maintenance (inspection) costs......, as well as on the harvested power from the waves. The target of a fully-developed WEC technology is not maximizing its power output, but minimizing the resulting LCOE. This paper presents a methodology to optimize the structural design of WECs based on a reliability-based optimization problem...

Electronic structure of metal clusters

International Nuclear Information System (INIS)

Wertheim, G.K.

1989-01-01

Photoemission spectra of valence electrons in metal clusters, together with threshold ionization potential measurements, provide a coherent picture of the development of the electronic structure from the isolated atom to the large metallic cluster. An insulator-metal transition occurs at an intermediate cluster size, which serves to define the boundary between small and large clusters. Although the outer electrons may be delocalized over the entire cluster, a small cluster remains insulating until the density of states near the Fermi level exceeds 1/kT. In large clusters, with increasing cluster size, the band structure approaches that of the bulk metal. However, the bands remain significantly narrowed even in a 1000-atom cluster, giving an indication of the importance of long-range order. The core-electron binding-energy shifts of supported metal clusters depend on changes in the band structure in the initial state, as well as on various final-state effects, including changes in core hole screening and the coulomb energy of the final-state charge. For cluster supported on amorphous carbon, this macroscopic coulomb shift is often dominant, as evidenced by the parallel shifts of the core-electron binding energy and the Fermi edge. Auger data confirm that final-state effects dominate in cluster of Sn and some other metals. Surface atom core-level shifts provide a valuable guide to the contributions of initial-state changes in band structure to cluster core-electron binding energy shifts, especially for Au and Pt. The available data indicate that the shift observed in supported, metallic clusters arise largely from the charge left on the cluster by photoemission. As the metal-insulator transition is approached from above, metallic screening is suppressed and the shift is determined by the local environment. (orig.)

Subset simulation for structural reliability sensitivity analysis

International Nuclear Information System (INIS)

Song Shufang; Lu Zhenzhou; Qiao Hongwei

2009-01-01

Based on two procedures for efficiently generating conditional samples, i.e. Markov chain Monte Carlo (MCMC) simulation and importance sampling (IS), two reliability sensitivity (RS) algorithms are presented. On the basis of reliability analysis of Subset simulation (Subsim), the RS of the failure probability with respect to the distribution parameter of the basic variable is transformed as a set of RS of conditional failure probabilities with respect to the distribution parameter of the basic variable. By use of the conditional samples generated by MCMC simulation and IS, procedures are established to estimate the RS of the conditional failure probabilities. The formulae of the RS estimator, its variance and its coefficient of variation are derived in detail. The results of the illustrations show high efficiency and high precision of the presented algorithms, and it is suitable for highly nonlinear limit state equation and structural system with single and multiple failure modes

Reliability Equivalence to Symmetrical UHVDC Transmission Systems Considering Redundant Structure Configuration

Directory of Open Access Journals (Sweden)

Xing Jiang

2018-03-01

Full Text Available In recent years, the ultra-high voltage direct current (UHVDC transmission system has been developed rapidly for its significant long-distance, high-capacity and low-loss properties. Equipment failures and overall outages of the UHVDC system have increasingly vital influence on the power supply of the receiving end grid. To improve the reliability level of UHVDC systems, a quantitative selection and configuration approach of redundant structures is proposed in this paper, which is based on multi-state reliability equivalence. Specifically, considering the symmetry characteristic of an UHVDC system, a state space model is established as a monopole rather than a bipole, which effectively reduces the state space dimensions to be considered by deducing the reliability merging operator of two poles. Considering the standby effect of AC filters and the recovery effect of converter units, the number of available converter units and corresponding probability are expressed with in universal generating function (UGF form. Then, a sensitivity analysis is performed to quantify the impact of component reliability parameters on system reliability and determine the most specific devices that should be configured in the redundant structure. Finally, a cost-benefit analysis is utilized to help determine the optimal scheme of redundant devices. Case studies are conducted to demonstrate the effectiveness and accuracy of the proposed method. Based on the numerical results, configuring a set of redundant transformers is indicated to be of the greatest significance to improve the reliability level of UHVDC transmission systems.

Design for Reliability and Robustness Tool Platform for Power Electronic Systems – Study Case on Motor Drive Applications

DEFF Research Database (Denmark)

Vernica, Ionut; Wang, Huai; Blaabjerg, Frede

2018-01-01

conventional approach, mainly based on failure statistics from the field, the reliability evaluation of the power devices is still a challenging task. In order to address the given problem, a MATLAB based reliability assessment tool has been developed. The Design for Reliability and Robustness (DfR2) tool...... allows the user to easily investigate the reliability performance of the power electronic components (or sub-systems) under given input mission profiles and operating conditions. The main concept of the tool and its framework are introduced, highlighting the reliability assessment procedure for power...... semiconductor devices. Finally, a motor drive application is implemented and the reliability performance of the power devices is investigated with the help of the DfR2 tool, and the resulting reliability metrics are presented....

Graph-based linear scaling electronic structure theory

Energy Technology Data Exchange (ETDEWEB)

Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.; Swart, Pieter J.; Germann, Timothy C.; Bock, Nicolas [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mniszewski, Susan M.; Mohd-Yusof, Jamal; Wall, Michael E.; Djidjev, Hristo [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rubensson, Emanuel H. [Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala (Sweden)

2016-06-21

We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

Pitting corrosion and structural reliability of corroding RC structures: Experimental data and probabilistic analysis

International Nuclear Information System (INIS)

Stewart, Mark G.; Al-Harthy, Ali

2008-01-01

A stochastic analysis is developed to assess the temporal and spatial variability of pitting corrosion on the reliability of corroding reinforced concrete (RC) structures. The structure considered herein is a singly reinforced RC beam with Y16 or Y27 reinforcing bars. Experimental data obtained from corrosion tests are used to characterise the probability distribution of pit depth. The RC beam is discretised into a series of small elements and maximum pit depths are generated for each reinforcing steel bar in each element. The loss of cross-sectional area, reduction in yield strength and reduction in flexural resistance are then inferred. The analysis considers various member spans, loading ratios, bar diameters and numbers of bars in a given cross-section, and moment diagrams. It was found that the maximum corrosion loss in a reinforcing bar conditional on beam collapse was no more than 16%. The probabilities of failure considering spatial variability of pitting corrosion were up to 200% higher than probabilities of failure obtained from a non-spatial analysis after 50 years of corrosion. This shows the importance of considering spatial variability in a structural reliability analysis for deteriorating structures, particularly for corroding RC beams in flexure

Reliability and considerations of electronic voting, a global vision

Directory of Open Access Journals (Sweden)

Jussibeth Tatiana Places Chungata

2017-03-01

Full Text Available This article is intended to perform an analysis of all the aspects that comprise and revolve around the use or implementation of new technologies in election processes such as automation of democracy; this is done through the collection of bibliographic information from articles, books, and other sources on concepts, differences, comparisons, methodology of citizen participation, experiences, among others. With the purpose of establishing the utility or inconveniences that may present this electronic voting system to use it in real elections. There are realized general descriptions of every topic, where little by little possible factors of adoption are explored or I reject to this new technology, clarifying in the functionality, used elements and factors to comply. As a result, it reflects on the positive and negative impact that have these systems in society, giving points to consider about this Automation at different stages which comprise the electoral processes, from the construction, configuration, storage up to the transmission and consolidation of results. Is leaves clear them criteria that is should evaluate a system of vote electronic that van from reliability to effectiveness in their processes, to determine the need and relationship of costs - benefits. Without leaving of side our country, there is described the current condition that has the system of electronic vote in our electoral processes, which until now has not been implemented, only has performed testing of printing in our community.

Electron conductance in curved quantum structures

DEFF Research Database (Denmark)

Willatzen, Morten; Gravesen, Jens

2010-01-01

is computationally fast and provides direct (geometrical) parameter insight as regards the determination of the electron transmission coefficient. We present, as a case study, calculations of the electron conductivity of a helically shaped quantum-wire structure and discuss the influence of the quantum......A differential-geometry analysis is employed to investigate the transmission of electrons through a curved quantum-wire structure. Although the problem is a three-dimensional spatial problem, the Schrodinger equation can be separated into three general coordinates. Hence, the proposed method...

Reliability-Based Robust Design Optimization of Structures Considering Uncertainty in Design Variables

Directory of Open Access Journals (Sweden)

Shujuan Wang

2015-01-01

Full Text Available This paper investigates the structural design optimization to cover both the reliability and robustness under uncertainty in design variables. The main objective is to improve the efficiency of the optimization process. To address this problem, a hybrid reliability-based robust design optimization (RRDO method is proposed. Prior to the design optimization, the Sobol sensitivity analysis is used for selecting key design variables and providing response variance as well, resulting in significantly reduced computational complexity. The single-loop algorithm is employed to guarantee the structural reliability, allowing fast optimization process. In the case of robust design, the weighting factor balances the response performance and variance with respect to the uncertainty in design variables. The main contribution of this paper is that the proposed method applies the RRDO strategy with the usage of global approximation and the Sobol sensitivity analysis, leading to the reduced computational cost. A structural example is given to illustrate the performance of the proposed method.

Mechanical Properties for Reliability Analysis of Structures in Glassy Carbon

CERN Document Server

Garion, Cédric

2014-01-01

Despite its good physical properties, the glassy carbon material is not widely used, especially for structural applications. Nevertheless, its transparency to particles and temperature resistance are interesting properties for the applications to vacuum chambers and components in high energy physics. For example, it has been proposed for fast shutter valve in particle accelerator [1] [2]. The mechanical properties have to be carefully determined to assess the reliability of structures in such a material. In this paper, mechanical tests have been carried out to determine the elastic parameters, the strength and toughness on commercial grades. A statistical approach, based on the Weibull’s distribution, is used to characterize the material both in tension and compression. The results are compared to the literature and the difference of properties for these two loading cases is shown. Based on a Finite Element analysis, a statistical approach is applied to define the reliability of a structural component in gl...

Epitaxial graphene electronic structure and transport

International Nuclear Information System (INIS)

De Heer, Walt A; Berger, Claire; Wu Xiaosong; Sprinkle, Mike; Hu Yike; Ruan Ming; First, Phillip N; Stroscio, Joseph A; Haddon, Robert; Piot, Benjamin; Faugeras, Clement; Potemski, Marek; Moon, Jeong-Sun

2010-01-01

Since its inception in 2001, the science and technology of epitaxial graphene on hexagonal silicon carbide has matured into a major international effort and is poised to become the first carbon electronics platform. A historical perspective is presented and the unique electronic properties of single and multilayered epitaxial graphenes on electronics grade silicon carbide are reviewed. Early results on transport and the field effect in Si-face grown graphene monolayers provided proof-of-principle demonstrations. Besides monolayer epitaxial graphene, attention is given to C-face grown multilayer graphene, which consists of electronically decoupled graphene sheets. Production, structure and electronic structure are reviewed. The electronic properties, interrogated using a wide variety of surface, electrical and optical probes, are discussed. An overview is given of recent developments of several device prototypes including resistance standards based on epitaxial graphene quantum Hall devices and new ultrahigh frequency analogue epitaxial graphene amplifiers.

Static reliability of concrete structures under extreme temperature, radiation, moisture and force loading

International Nuclear Information System (INIS)

Stepanek, P.; Stastnik, S.; Salajka, V.; Hradil, P.; Skolar, J.; Chlanda, V.

2003-01-01

The contribution presents some aspects of the static reliability of concrete structures under temperature effects and under mechanical loading. The mathematical model of a load-bearing concrete structure was performed using the FEM method. The temperature field and static stress that generated states of stress were taken into account. A brief description of some aspects of evaluation of the reliability within the primary circuit concrete structures is stated. The knowledge of actual physical and mechanical characteristics and chemical composition of concrete were necessary for obtaining correct results of numerical analysis. (author)

Scale for positive aspects of caregiving experience: development, reliability, and factor structure.

Science.gov (United States)

Kate, N; Grover, S; Kulhara, P; Nehra, R

2012-06-01

OBJECTIVE. To develop an instrument (Scale for Positive Aspects of Caregiving Experience [SPACE]) that evaluates positive caregiving experience and assess its psychometric properties. METHODS. Available scales which assess some aspects of positive caregiving experience were reviewed and a 50-item questionnaire with a 5-point rating was constructed. In all, 203 primary caregivers of patients with severe mental disorders were asked to complete the questionnaire. Internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity were evaluated. Principal component factor analysis was run to assess the factorial validity of the scale. RESULTS. The scale developed as part of the study was found to have good internal consistency, test-retest reliability, cross-language reliability, split-half reliability, and face validity. Principal component factor analysis yielded a 4-factor structure, which also had good test-retest reliability and cross-language reliability. There was a strong correlation between the 4 factors obtained. CONCLUSION. The SPACE developed as part of this study has good psychometric properties.

Modelling and estimating degradation processes with application in structural reliability

International Nuclear Information System (INIS)

Chiquet, J.

2007-06-01

The characteristic level of degradation of a given structure is modeled through a stochastic process called the degradation process. The random evolution of the degradation process is governed by a differential system with Markovian environment. We put the associated reliability framework by considering the failure of the structure once the degradation process reaches a critical threshold. A closed form solution of the reliability function is obtained thanks to Markov renewal theory. Then, we build an estimation methodology for the parameters of the stochastic processes involved. The estimation methods and the theoretical results, as well as the associated numerical algorithms, are validated on simulated data sets. Our method is applied to the modelling of a real degradation mechanism, known as crack growth, for which an experimental data set is considered. (authors)

Electronic structure and tautomerism of aryl ketones

International Nuclear Information System (INIS)

Novak, Igor; Klasinc, Leo; Šket, Boris; McGlynn, S.P.

2015-01-01

Graphical abstract: Photoelectron spectroscopy, tautomerism. - Highlights: • UV photoelectron spectroscopy of aryl ketones. • The relative stability of tautomers and their electronic structures. • The factors influencing tautomerism. - Abstract: The electronic structures of several aryl ketones (AK) and their α-halo derivatives have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of the AK derivatives are discussed

Electronic structure and tautomerism of aryl ketones

Energy Technology Data Exchange (ETDEWEB)

Novak, Igor, E-mail: inovak@csu.edu.au [Charles Sturt University, POB 883, Orange, NSW 2800 (Australia); Klasinc, Leo, E-mail: klasinc@irb.hr [Physical Chemistry Department, Ruđer Bošković Institute, HR-10002 Zagreb (Croatia); Šket, Boris, E-mail: Boris.Sket@fkkt.uni-lj.si [Faculty of Chemistry and Chemical Technology, University of Ljubljana, SI-1000 (Slovenia); McGlynn, S.P., E-mail: sean.mcglynn@chemgate.chem.lsu.edu [Louisiana State University, Baton Rouge, LA 70803 (United States)

2015-07-15

Graphical abstract: Photoelectron spectroscopy, tautomerism. - Highlights: • UV photoelectron spectroscopy of aryl ketones. • The relative stability of tautomers and their electronic structures. • The factors influencing tautomerism. - Abstract: The electronic structures of several aryl ketones (AK) and their α-halo derivatives have been studied by UV photoelectron spectroscopy (UPS). The relative stabilities of keto–enol tautomers have been determined using high-level ab initio calculations and the results were used in the analysis of UPS spectra. The main features of electronic structure and tautomerism of the AK derivatives are discussed.

LIF: A new Kriging based learning function and its application to structural reliability analysis

International Nuclear Information System (INIS)

Sun, Zhili; Wang, Jian; Li, Rui; Tong, Cao

2017-01-01

The main task of structural reliability analysis is to estimate failure probability of a studied structure taking randomness of input variables into account. To consider structural behavior practically, numerical models become more and more complicated and time-consuming, which increases the difficulty of reliability analysis. Therefore, sequential strategies of design of experiment (DoE) are raised. In this research, a new learning function, named least improvement function (LIF), is proposed to update DoE of Kriging based reliability analysis method. LIF values how much the accuracy of estimated failure probability will be improved if adding a given point into DoE. It takes both statistical information provided by the Kriging model and the joint probability density function of input variables into account, which is the most important difference from the existing learning functions. Maximum point of LIF is approximately determined with Markov Chain Monte Carlo(MCMC) simulation. A new reliability analysis method is developed based on the Kriging model, in which LIF, MCMC and Monte Carlo(MC) simulation are employed. Three examples are analyzed. Results show that LIF and the new method proposed in this research are very efficient when dealing with nonlinear performance function, small probability, complicated limit state and engineering problems with high dimension. - Highlights: • Least improvement function (LIF) is proposed for structural reliability analysis. • LIF takes both Kriging based statistical information and joint PDF into account. • A reliability analysis method is constructed based on Kriging, MCS and LIF.

Out Brief for the Structural Reliability Partnership Workshop

Energy Technology Data Exchange (ETDEWEB)

Boyce, Brad [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Fang, Eliot [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kolski, Alyssa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Zimmerman, Jonathan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Furmanski, Jevan [Exxon Mobil, Annandale, NJ (United States); Ravi-Chandar, Krishnaswamy [Univ. of Texas, Austin, TX (United States)

2017-08-30

The Structural Reliability Partnership Workshop was held in Albuquerque, NM on August 29-30, 2017 and was hosted by Sandia National Laboratories. Attendees were present from academia, industry and several other national laboratories. The workshop kicked off with an introduction to the SRP to familiarize potential members with what the purpose, structure and benefits would be to their organization. Technical overviews were given on several topics by attendees from each sector – national labs, universities and industry – to provide a snapshot of the type of work that is currently being conducted on structural reliability. Attendees were then given the opportunity to suggest and discuss potential Challenge Scenario topics. Three were ultimately decided upon as being the most important: Additive Manufacturing, Hydrogen Pipeline Steels, and Bolted Joined Structures. These were then analyzed using Quad Charts to determine What, How, Who, and Why these areas would be further investigated. Rather than restricting future research to only one area, the option was left open to investigate both the top two, depending on interest and cost associated with hosting such an event. More informal collaboration may be undertaken for the third topic if members have time and interest. Other items discussed pertained to the organization, structure and policies of the Partnership. Topics including Data Management, IP, and mechanisms of partnering/information sharing were touched upon but final decisions were not made. Further action is needed before this can be done. Action items were outlined and assigned, where possible. The next workshop is to be held in early August 2018 in Boulder, CO and is to be hosted by NIST. In the interim, quarterly updates are to take place via WebEx to maintain a line of communication and to ensure progress on both the administrative and technical tasks.

Reliability of ultrasound for measurement of selected foot structures.

Science.gov (United States)

Crofts, G; Angin, S; Mickle, K J; Hill, S; Nester, C J

2014-01-01

Understanding the relationship between the lower leg muscles, foot structures and function is essential to explain how disease or injury may relate to changes in foot function and clinical pathology. The aim of this study was to investigate the inter-operator reliability of an ultrasound protocol to quantify features of: rear, mid and forefoot sections of the plantar fascia (PF); flexor hallucis brevis (FHB); flexor digitorum brevis (FDB); abductor hallucis (AbH); flexor digitorum longus (FDL); flexor hallucis longus (FHL); tibialis anterior (TA); and peroneus longus and brevis (PER). A sample of 6 females and 4 males (mean age 29.1 ± 7.2 years, mean BMI 25.5 ± 4.8) was recruited from a university student and staff population. Scans were obtained using a portable Venue 40 musculoskeletal ultrasound system (GE Healthcare UK) with a 5-13 MHz wideband linear array probe with a 12.7 mm × 47.1mm footprint by two operators in the same scanning session. Intraclass Correlation Coefficients (ICC) values for muscle thickness (ICC range 0.90-0.97), plantar fascia thickness (ICC range 0.94-0.98) and cross sectional muscle measurements (ICC range 0.91-0.98) revealed excellent inter-operator reliability. The limits of agreement, relative to structure size, ranged from 9.0% to 17.5% for muscle thickness, 11.0-18.0% for plantar fascia, and 11.0-26.0% for cross sectional area measurements. The ultrasound protocol implemented in this work has been shown to be reliable. It therefore offers the opportunity to quantify the structures concerned and better understand their contributions to foot function. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Sensitivity analysis in a structural reliability context

International Nuclear Information System (INIS)

Lemaitre, Paul

2014-01-01

This thesis' subject is sensitivity analysis in a structural reliability context. The general framework is the study of a deterministic numerical model that allows to reproduce a complex physical phenomenon. The aim of a reliability study is to estimate the failure probability of the system from the numerical model and the uncertainties of the inputs. In this context, the quantification of the impact of the uncertainty of each input parameter on the output might be of interest. This step is called sensitivity analysis. Many scientific works deal with this topic but not in the reliability scope. This thesis' aim is to test existing sensitivity analysis methods, and to propose more efficient original methods. A bibliographical step on sensitivity analysis on one hand and on the estimation of small failure probabilities on the other hand is first proposed. This step raises the need to develop appropriate techniques. Two variables ranking methods are then explored. The first one proposes to make use of binary classifiers (random forests). The second one measures the departure, at each step of a subset method, between each input original density and the density given the subset reached. A more general and original methodology reflecting the impact of the input density modification on the failure probability is then explored. The proposed methods are then applied on the CWNR case, which motivates this thesis. (author)

On new cautious structural reliability models in the framework of imprecise probabilities

DEFF Research Database (Denmark)

Utkin, Lev; Kozine, Igor

2010-01-01

measures when the number of events of interest or observations is very small. The main feature of the models is that prior ignorance is not modelled by a fixed single prior distribution, but by a class of priors which is defined by upper and lower probabilities that can converge as statistical data......New imprecise structural reliability models are described in this paper. They are developed based on the imprecise Bayesian inference and are imprecise Dirichlet, imprecise negative binomial, gamma-exponential and normal models. The models are applied to computing cautious structural reliability...

Time-dependent reliability analysis and condition assessment of structures

International Nuclear Information System (INIS)

Ellingwood, B.R.

1997-01-01

Structures generally play a passive role in assurance of safety in nuclear plant operation, but are important if the plant is to withstand the effect of extreme environmental or abnormal events. Relative to mechanical and electrical components, structural systems and components would be difficult and costly to replace. While the performance of steel or reinforced concrete structures in service generally has been very good, their strengths may deteriorate during an extended service life as a result of changes brought on by an aggressive environment, excessive loading, or accidental loading. Quantitative tools for condition assessment of aging structures can be developed using time-dependent structural reliability analysis methods. Such methods provide a framework for addressing the uncertainties attendant to aging in the decision process

Quality and reliability assurance of electronic components in small-scale and middle-sized plants

International Nuclear Information System (INIS)

Becker, P.

1982-01-01

Electronic components are forever finding their way into new fields of application and have an ever increasing influence on the quality and reliability of the products in which they are used. The user has very negligible influence on the production methods used for the manufacture of the components and the element properties. (orig.) [de

Improving Electronic Sensor Reliability by Robust Outlier Screening

Directory of Open Access Journals (Sweden)

Federico Cuesta

2013-10-01

Full Text Available Electronic sensors are widely used in different application areas, and in some of them, such as automotive or medical equipment, they must perform with an extremely low defect rate. Increasing reliability is paramount. Outlier detection algorithms are a key component in screening latent defects and decreasing the number of customer quality incidents (CQIs. This paper focuses on new spatial algorithms (Good Die in a Bad Cluster with Statistical Bins (GDBC SB and Bad Bin in a Bad Cluster (BBBC and an advanced outlier screening method, called Robust Dynamic Part Averaging Testing (RDPAT, as well as two practical improvements, which significantly enhance existing algorithms. Those methods have been used in production in Freescale® Semiconductor probe factories around the world for several years. Moreover, a study was conducted with production data of 289,080 dice with 26 CQIs to determine and compare the efficiency and effectiveness of all these algorithms in identifying CQIs.

High-Reliable PLC RTOS Development and RPS Structure Analysis

Energy Technology Data Exchange (ETDEWEB)

Sohn, H. S.; Song, D. Y.; Sohn, D. S.; Kim, J. H. [Enersys Co., Daejeon (Korea, Republic of)

2008-04-15

One of the KNICS objectives is to develop a platform for Nuclear Power Plant(NPP) I and C(Instrumentation and Control) system, especially plant protection system. The developed platform is POSAFE-Q and this work supports the development of POSAFE-Q with the development of high-reliable real-time operating system(RTOS) and programmable logic device(PLD) software. Another KNICS objective is to develop safety I and C systems, such as Reactor Protection System(RPS) and Engineered Safety Feature-Component Control System(ESF-CCS). This work plays an important role in the structure analysis for RPS. Validation and verification(V and V) of the safety critical software is an essential work to make digital plant protection system highly reliable and safe. Generally, the reliability and safety of software based system can be improved by strict quality assurance framework including the software development itself. In other words, through V and V, the reliability and safety of a system can be improved and the development activities like software requirement specification, software design specification, component tests, integration tests, and system tests shall be appropriately documented for V and V.

High-Reliable PLC RTOS Development and RPS Structure Analysis

International Nuclear Information System (INIS)

Sohn, H. S.; Song, D. Y.; Sohn, D. S.; Kim, J. H.

2008-04-01

One of the KNICS objectives is to develop a platform for Nuclear Power Plant(NPP) I and C(Instrumentation and Control) system, especially plant protection system. The developed platform is POSAFE-Q and this work supports the development of POSAFE-Q with the development of high-reliable real-time operating system(RTOS) and programmable logic device(PLD) software. Another KNICS objective is to develop safety I and C systems, such as Reactor Protection System(RPS) and Engineered Safety Feature-Component Control System(ESF-CCS). This work plays an important role in the structure analysis for RPS. Validation and verification(V and V) of the safety critical software is an essential work to make digital plant protection system highly reliable and safe. Generally, the reliability and safety of software based system can be improved by strict quality assurance framework including the software development itself. In other words, through V and V, the reliability and safety of a system can be improved and the development activities like software requirement specification, software design specification, component tests, integration tests, and system tests shall be appropriately documented for V and V.

Reliability Analysis and Test Planning using CAPO-Test for Existing Structures

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Engelund, S.; Faber, Michael Havbro

2000-01-01

Evaluation of the reliability of existing concrete structures often requires that the compressive strength of the concrete is estimated on the basis of tests performed with concrete samples from the structure considered. In this paper the CAPO-test method is considered. The different sources...... of uncertainty related to this method are described. It is shown how the uncertainty in the transformation from the CAPO-test results to estimates of the concrete strength can be modeled. Further, the statistical uncertainty is modeled using Bayesian statistics. Finally, it is shown how reliability-based optimal...... planning of CAPO-tests can be performed taking into account the expected costs due to the CAPO-tests and possible repair or failure of the structure considered. An illustrative example is presented where the CAPO-test is compared with conventional concrete cylinder compression tests performed on cores...

Some recent developments in the risk- and reliability analysis of structures

International Nuclear Information System (INIS)

Bauer, J.; Choi, H.S.; Kappler, H.; Melzer, H.J.; Panggabean, H.; Reichmann, K.H.; Schueller, G.I.; Schwarz, R.F.

1979-01-01

This report consists of six contributions divided into four general topics. While Part I concentrates on the development of Analytical Methods in Structural Reliability, Part II to IV are devoted to the application of these methods to Offshore-, Nuclear - and generally to Wind- and Earthquake Exposed Structures. (orig.) [de

Structural stability and electronic structure of YCu ductile ...

African Journals Online (AJOL)

We investigate the structural, elastic and electronic properties of cubic YCu intermetallic compound. Which crystallize in the CsCl- B2 type structure, the investigated using the first principle full potential linearized augmented plane wave method (FP-LAPW) within density functional Theory (DFT). We used generalized ...

Overview of nuclear structure with electrons

International Nuclear Information System (INIS)

Geesaman, D. F.

1999-01-01

Following a broad summary of the author's view of nuclear structure in 1974, he will discuss the key elements they have learned in the past 25 years from the research at the M.I.T. Bates Linear Accelerator center and its sister electron accelerator laboratories. Electron scattering has provided the essential measurements for most of the progress. The future is bright for nuclear structure research as their ability to realistically calculate nuclear structure observables has dramatically advanced and they are increasingly able to incorporate an understanding of quantum chromodynamics into their picture of the nucleus

Electronic structure studies of fullerites and fullerides

International Nuclear Information System (INIS)

Merkel, M.; Sohmen, E.; Masaki, A.; Romberg, H.; Alexander, M.; Knupfer, M.; Golden, M.S.; Adelmann, P.; Renker, B.; Fink, J.

1993-01-01

The electronic structure of fullerites and fullerides has been investigated by high-resolution photoemission and by high-energy electron energy-loss spectroscopy in transmission. Information on the occupied Π and σ bands, on the unoccupied Π * and σ * bands, and on the joint density of states has been obtained. In particular, we report on the changes of the electronic structure of fullerides as a function of dopant concentration. (orig.)

Recent Advances in Optimal Design of Structures from a Reliability Point of View

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Sørensen, John Dalsgaard

1987-01-01

-Christensen and Baker[4] and Madsen et al.[5]. Next a heuristic method, the so-called ß-unzipping method[6] is mentioned. This method can be used to estimate the reliability of a structural system if some modelling assumptions are fulfilled. In the third section some elements of structural optimisation theory...... section. First, a short review of the reliability theory for structural elements (e.g., beams and tubular joints) based on the so-called ß-index philosophy (Cornell[1], Ditlevsen[2], and Hasofer and Lind[3]) is given. Detailed descriptions are given in textbooks such as those by Thoft...

Structural reliability calculation method based on the dual neural network and direct integration method.

Science.gov (United States)

Li, Haibin; He, Yun; Nie, Xiaobo

2018-01-01

Structural reliability analysis under uncertainty is paid wide attention by engineers and scholars due to reflecting the structural characteristics and the bearing actual situation. The direct integration method, started from the definition of reliability theory, is easy to be understood, but there are still mathematics difficulties in the calculation of multiple integrals. Therefore, a dual neural network method is proposed for calculating multiple integrals in this paper. Dual neural network consists of two neural networks. The neural network A is used to learn the integrand function, and the neural network B is used to simulate the original function. According to the derivative relationships between the network output and the network input, the neural network B is derived from the neural network A. On this basis, the performance function of normalization is employed in the proposed method to overcome the difficulty of multiple integrations and to improve the accuracy for reliability calculations. The comparisons between the proposed method and Monte Carlo simulation method, Hasofer-Lind method, the mean value first-order second moment method have demonstrated that the proposed method is an efficient and accurate reliability method for structural reliability problems.

Reliability analysis based on a novel density estimation method for structures with correlations

Directory of Open Access Journals (Sweden)

Baoyu LI

2017-06-01

Full Text Available Estimating the Probability Density Function (PDF of the performance function is a direct way for structural reliability analysis, and the failure probability can be easily obtained by integration in the failure domain. However, efficiently estimating the PDF is still an urgent problem to be solved. The existing fractional moment based maximum entropy has provided a very advanced method for the PDF estimation, whereas the main shortcoming is that it limits the application of the reliability analysis method only to structures with independent inputs. While in fact, structures with correlated inputs always exist in engineering, thus this paper improves the maximum entropy method, and applies the Unscented Transformation (UT technique to compute the fractional moments of the performance function for structures with correlations, which is a very efficient moment estimation method for models with any inputs. The proposed method can precisely estimate the probability distributions of performance functions for structures with correlations. Besides, the number of function evaluations of the proposed method in reliability analysis, which is determined by UT, is really small. Several examples are employed to illustrate the accuracy and advantages of the proposed method.

Serviceability design load factors and reliability assessments for reinforced concrete containment structures

International Nuclear Information System (INIS)

Han Bong Koo

1998-01-01

A reinforced concrete nuclear power plant containment structure is subjected to various random static and stochastic loads during its lifetime. Since these loads involve inherent randomness and other uncertainties, an appropriate probabilistic model for each load must be established in order to perform reliability analysis. The current ASME code for reinforced concrete containment structures are not based on probability concepts. The stochastic nature of natural hazard or accidental loads and the variations of material properties require a probabilistic approach for a rational assessment of structural safety and performance. The paper develops probability-based load factors for the limit state design of reinforced concrete containment structures. The purpose of constructing reinforced concrete containment structure is to protect against radioactive release, and so the use of a serviceability limit state against crack failure that can cause the emission of radioactive materials is suggested as a critical limit state for reinforced concrete containment structures. Load factors for the design of reinforced concrete containment structures are proposed and carried out the reliability assessments. (orig.)

Seismic reliability assessment methodology for CANDU concrete containment structures-phase 11

International Nuclear Information System (INIS)

Hong, H.P.

1996-07-01

This study was undertaken to verify a set of load factors for reliability-based seismic evaluation of CANDU containment structures in Eastern Canada. Here, the new, site-specific, results of probabilistic seismic hazard assessment (response spectral velocity) were applied. It was found that the previously recommended load factors are relatively insensitive to the new seismic hazard information, and are adequate for a reliability-based seismic evaluation process. (author). 4 refs., 5 tabs., 9 figs

Reliability-Based Inspection Planning for Structural Systems

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

1993-01-01

A general model for reliability-based optimal inspection and repair strategies for structural systems is described. The total expected costs in the design lifetime is minimized with the number of inspections, the inspection times and efforts as decision variables. The equivalence of this model...... with a preposterior analysis from statistical decision theory is discussed. It is described how information obtained by an inspection can be used in a repair decision. Stochastic models for inspection, measurement and repair actions are presented. The general model is applied for inspection and repair planning...

Reliability analysis of structures under periodic proof tests in service

Science.gov (United States)

Yang, J.-N.

1976-01-01

A reliability analysis of structures subjected to random service loads and periodic proof tests treats gust loads and maneuver loads as random processes. Crack initiation, crack propagation, and strength degradation are treated as the fatigue process. The time to fatigue crack initiation and ultimate strength are random variables. Residual strength decreases during crack propagation, so that failure rate increases with time. When a structure fails under periodic proof testing, a new structure is built and proof-tested. The probability of structural failure in service is derived from treatment of all the random variables, strength degradations, service loads, proof tests, and the renewal of failed structures. Some numerical examples are worked out.

Reliable Transport over SpaceWire for James Webb Space Telescope (JWST) Focal Plane Electronics (FPE) Network

Science.gov (United States)

Rakow, Glenn; Schnurr, Richard; Dailey, Christopher; Shakoorzadeh, Kamdin

2003-01-01

NASA's James Webb Space Telescope (JWST) faces difficult technical and budgetary challenges to overcome before it is scheduled launch in 2010. The Integrated Science Instrument Module (ISIM), shares these challenges. The major challenge addressed in this paper is the data network used to collect, process, compresses and store Infrared data. A total of 114 Mbps of raw information must be collected from 19 sources and delivered to the two redundant data processing units across a twenty meter deployed thermally restricted interface. Further data must be transferred to the solid-state recorder and the spacecraft. The JWST detectors are kept at cryogenic temperatures to obtain the sensitivity necessary to measure faint energy sources. The Focal Plane Electronics (FPE) that sample the detector, generate packets from the samples, and transmit these packets to the processing electronics must dissipate little power in order to help keep the detectors at these cold temperatures. Separating the low powered front-end electronics from the higher-powered processing electronics, and using a simple high-speed protocol to transmit the detector data minimize the power dissipation near the detectors. Low Voltage Differential Signaling (LVDS) drivers were considered an obvious choice for physical layer because of their high speed and low power. The mechanical restriction on the number cables across the thermal interface force the Image packets to be concentrated upon two high-speed links. These links connect the many image packet sources, Focal Plane Electronics (FPE), located near the cryogenic detectors to the processing electronics on the spacecraft structure. From 12 to 10,000 seconds of raw data are processed to make up an image, various algorithms integrate the pixel data Loss of commands to configure the detectors as well as the loss of science data itself may cause inefficiency in the use of the telescope that are unacceptable given the high cost of the observatory. This

Reliability of the Structured Clinical Interview for DSM-5 Sleep Disorders Module.

Science.gov (United States)

Taylor, Daniel J; Wilkerson, Allison K; Pruiksma, Kristi E; Williams, Jacob M; Ruggero, Camilo J; Hale, Willie; Mintz, Jim; Organek, Katherine Marczyk; Nicholson, Karin L; Litz, Brett T; Young-McCaughan, Stacey; Dondanville, Katherine A; Borah, Elisa V; Brundige, Antoinette; Peterson, Alan L

2018-03-15

To develop and demonstrate interrater reliability for a Structured Clinical Interview for Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM-5) Sleep Disorders (SCISD). The SCISD was designed to be a brief, reliable, and valid interview assessment of adult sleep disorders as defined by the DSM-5. A sample of 106 postdeployment active-duty military members seeking cognitive behavioral therapy for insomnia in a randomized clinical trial were assessed with the SCISD prior to treatment to determine eligibility. Audio recordings of these interviews were double-scored for interrater reliability. The interview is 8 pages long, includes 20 to 51 questions, and takes 10 to 20 minutes to administer. Of the nine major disorders included in the SCISD, six had prevalence rates high enough (ie, n ≥ 5) to include in analyses. Cohen kappa coefficient (κ) was used to assess interrater reliability for insomnia, hypersomnolence, obstructive sleep apnea hypopnea (OSAH), circadian rhythm sleep-wake, nightmare, and restless legs syndrome disorders. There was excellent interrater reliability for insomnia (1.0) and restless legs syndrome (0.83); very good reliability for nightmare disorder (0.78) and OSAH (0.73); and good reliability for hypersomnolence (0.50) and circadian rhythm sleep-wake disorders (0.50). The SCISD is a brief, structured clinical interview that is easy for clinicians to learn and use. The SCISD showed moderate to excellent interrater reliability for six of the major sleep disorders in the DSM-5 among active duty military seeking cognitive behavioral therapy for insomnia in a randomized clinical trial. Replication and extension studies are needed. Registry: ClinicalTrials.gov; Title: Comparing Internet and In-Person Brief Cognitive Behavioral Therapy of Insomnia; Identifier: NCT01549899; URL: https://clinicaltrials.gov/ct2/show/NCT01549899. © 2018 American Academy of Sleep Medicine.

Electronic structures of elements according to ionization energies.

Science.gov (United States)

Zadeh, Dariush H

2017-11-28

The electronic structures of elements in the periodic table were analyzed using available experimental ionization energies. Two new parameters were defined to carry out the study. The first parameter-apparent nuclear charge (ANC)-quantified the overall charge of the nucleus and inner electrons observed by an outer electron during the ionization process. This parameter was utilized to define a second parameter, which presented the shielding ability of an electron against the nuclear charge. This second parameter-electron shielding effect (ESE)-provided an insight into the electronic structure of atoms. This article avoids any sort of approximation, interpolation or extrapolation. First experimental ionization energies were used to obtain the two aforementioned parameters. The second parameter (ESE) was then graphed against the electron number of each element, and was used to read the corresponding electronic structure. The ESE showed spikes/peaks at the end of each electronic shell, providing insight into when an electronic shell closes and a new one starts. The electronic structures of elements in the periodic table were mapped using this methodology. These graphs did not show complete agreement with the previously known "Aufbau" filling rule. A new filling rule was suggested based on the present observations. Finally, a new way to organize elements in the periodic table is suggested. Two earlier topics of effective nuclear charge, and shielding factor were also briefly discussed and compared numerically to demonstrate the capability of the new approach.

Structural validity and reliability of the healthcare professionals' economic reasoning questionnaire

Directory of Open Access Journals (Sweden)

Vuković Mira H.

2015-01-01

Full Text Available Introduction: The structure of healthcare professionals' economic reasoning (HPER is still unknown. The aim: The structural validity and the reliability of the HPER questionnaire were evaluated. Methods: The psychometric study about evaluation of the HPER factors was conducted. The healthcare professionals (physicians, dentists, pharmacists that are employed in healthcare state sector of Republic of Serbia were interviewed. The HPER Questionnaire contained 29 preliminary items. Its structure was evaluated by Principal Component Analysis for categorial and ordinal data. Results: The 9 items that defined seven HPER factors were extracted: (1 the negligence of the cost of quality by the administration and financier; (2 the consideration of the market price and healthcare benefit; (3 market orientation considering patient's requests; (4 the recognition of inadequate resource alocations by non-medical administrative authority; (5 the attitude about redirecting the profit from state to private healthcare sector; (6 the recognition of the unjustified spending by the healthcare professionals and (7 the relationship physician/patient. Conclusion: The HPER-9 Questionnaire has high structural validity and reliability in the HPER measurement.

Solvated electron structure in glassy matrices

International Nuclear Information System (INIS)

Kevan, L.

1981-01-01

Current knowledge of the detailed geometrical structure of solvated electrons in aqueous and organic media is summarized. The geometry of solvated electrons in glassy methanol, ethanol, and 2-methyltetrahydrofuran is discussed. Advanced electron magnetic resonance methods and development of new methods of analysis of electron spin echo modulation patterns, second moment line shapes, and forbidden photon spin-flip transitions for paramagnetic species in these disordered systems are discussed. 66 references are cited

Reliability of structures of industrial installations. Theory and applications of probabilistic mechanics

International Nuclear Information System (INIS)

Procaccia, H.; Morilhat, P.; Carle, R.; Menjon, G.

1996-01-01

The management of the service life of mechanical materials implies an evaluation of their risk of failure during their use. To evaluate this risk the following methods are used: the classical frequency statistics applied to experience feedback data concerning failures noticed during operation of active parts (pumps, valves, exchangers, circuit breakers etc..); the Bayesian approach in the case of scarce statistical data and when experts are needed to compensate the lack of information; the structures reliability approach when no data are available and when a theoretical model of degradation must be used, in particular for passive structures (pressure vessels, pipes, tanks, etc..). The aim of this book is to describe the principles and applications of this third approach to industrial installations. Chapter 1 recalls the historical aspects of the probabilistic approach to the reliability of structures and the existing codes. Chapter 2 presents the level 1 deterministic method applied so far for the conceiving of passive structures. The Cornell reliability index, already used in civil engineering codes, is defined in chapter 3. The Hasofer and Lind reliability index, a generalization of the Cornell index, is defined in chapter 4. Chapter 5 concerns the application of probabilistic approaches to optimization studies with the introduction of the economical variables linked to the risk and the possible actions to limit this risk (in-service inspection, maintenance, repairing etc..). Chapters 6 and 7 describe the Monte Carlo simulation and approximation methods for failure probabilistic calculations, and recall the fracture mechanics basis and the models of load and degradation of industrial installations. Some applications are given in chapter 9 with the cases of the safety margins quantization of a fissured pipe and the optimizing of the in-service inspection policy of a steam generator. Chapter 10 raises the problem of the coupling between mechanical and reliability

Reliable Thermoelectric Module Design under Opposing Requirements from Structural and Thermoelectric Considerations

Science.gov (United States)

Karri, Naveen K.; Mo, Changki

2018-06-01

Structural reliability of thermoelectric generation (TEG) systems still remains an issue, especially for applications such as large-scale industrial or automobile exhaust heat recovery, in which TEG systems are subject to dynamic loads and thermal cycling. Traditional thermoelectric (TE) system design and optimization techniques, focused on performance alone, could result in designs that may fail during operation as the geometric requirements for optimal performance (especially the power) are often in conflict with the requirements for mechanical reliability. This study focused on reducing the thermomechanical stresses in a TEG system without compromising the optimized system performance. Finite element simulations were carried out to study the effect of TE element (leg) geometry such as leg length and cross-sectional shape under constrained material volume requirements. Results indicated that the element length has a major influence on the element stresses whereas regular cross-sectional shapes have minor influence. The impact of TE element stresses on the mechanical reliability is evaluated using brittle material failure theory based on Weibull analysis. An alternate couple configuration that relies on the industry practice of redundant element design is investigated. Results showed that the alternate configuration considerably reduced the TE element and metallization stresses, thereby enhancing the structural reliability, with little trade-off in the optimized performance. The proposed alternate configuration could serve as a potential design modification for improving the reliability of systems optimized for thermoelectric performance.

Electronic versus paper-based assessment of health-related quality of life specific to HIV disease: reliability study of the PROQOL-HIV questionnaire.

Science.gov (United States)

Duracinsky, Martin; Lalanne, Christophe; Goujard, Cécile; Herrmann, Susan; Cheung-Lung, Christian; Brosseau, Jean-Paul; Schwartz, Yannick; Chassany, Olivier

2014-04-25

Electronic patient-reported outcomes (PRO) provide quick and usually reliable assessments of patients' health-related quality of life (HRQL). An electronic version of the Patient-Reported Outcomes Quality of Life-human immunodeficiency virus (PROQOL-HIV) questionnaire was developed, and its face validity and reliability were assessed using standard psychometric methods. A sample of 80 French outpatients (66% male, 52/79; mean age 46.7 years, SD 10.9) were recruited. Paper-based and electronic questionnaires were completed in a randomized crossover design (2-7 day interval). Biomedical data were collected. Questionnaire version and order effects were tested on full-scale scores in a 2-way ANOVA with patients as random effects. Test-retest reliability was evaluated using Pearson and intraclass correlation coefficients (ICC, with 95% confidence interval) for each dimension. Usability testing was carried out from patients' survey reports, specifically, general satisfaction, ease of completion, quality and clarity of user interface, and motivation to participate in follow-up PROQOL-HIV electronic assessments. Questionnaire version and administration order effects (N=59 complete cases) were not significant at the 5% level, and no interaction was found between these 2 factors (P=.94). Reliability indexes were acceptable, with Pearson correlations greater than .7 and ICCs ranging from .708 to .939; scores were not statistically different between the two versions. A total of 63 (79%) complete patients' survey reports were available, and 55% of patients (30/55) reported being satisfied and interested in electronic assessment of their HRQL in clinical follow-up. Individual ratings of PROQOL-HIV user interface (85%-100% of positive responses) confirmed user interface clarity and usability. The electronic PROQOL-HIV introduces minor modifications to the original paper-based version, following International Society for Pharmacoeconomics and Outcomes Research (ISPOR) ePRO Task

3D Printed structural electronics: embedding and connecting electronic components into freeform electronic devices

NARCIS (Netherlands)

Maalderink, H.H.H.; Bruning, F.B.J.; Schipper, M.M.R. de; Werff, J.J.J. van der; Germs, W.W.C.; Remmers, J.J.C.; Meinders, E.R.

2018-01-01

The need for personalised and smart products drives the development of structural electronics with mass-customisation capability. A number of challenges need to be overcome in order to address the potential of complete free form manufacturing of electronic devices. One key challenge is the

3D Printed structural electronics : embedding and connecting electronic components into freeform electronic devices

NARCIS (Netherlands)

Maalderink, H.H.; Bruning, F.B.J.; de Schipper, M.R.; van der Werff, J.J.; Germs, W.C.; Remmers, J.J.C.; Meinders, E.R.

2018-01-01

The need for personalised and smart products drives the development of structural electronics with mass-customisation capability. A number of challenges need to be overcome in order to address the potential of complete free form manufacturing of electronic devices. One key challenge is the

Electronic structure of Ca, Sr, and Ba under pressure.

Science.gov (United States)

Animalu, A. O. E.; Heine, V.; Vasvari, B.

1967-01-01

Electronic band structure calculations phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure electronic band structure calculations for fcc phase of Ca, Sr and Ba over wide range of atomic volumes under pressure

Effect of soil–structure interaction on the reliability of reinforced concrete bridges

Directory of Open Access Journals (Sweden)

Kamel Bezih

2015-09-01

Full Text Available In the design of reinforced concrete (RC bridges, the random and nonlinear behavior of soil may lead to insufficient reliability levels. For this reason, it is necessary to take into account the variability of soil properties which can significantly affect the bridge behavior regarding ultimate and serviceability limit states. This study investigates the failure probability for existing reinforced concrete bridges due to the effects of interaction between the soil and the structure. In this paper, a coupled reliability–mechanical approach is developed to study the effect of soil–structure interaction for RC bridges. The modeling of this interaction is incorporated into the mechanical model of RC continuous beams, by considering nonlinear elastic soil stiffness. The reliability analysis highlights the large importance of soil–structure interaction and shows that the structural safety is highly sensitive to the variability of soil properties, especially when the nonlinear behavior of soil is considered.

Structure and electron-ion correlation of liquid germanium

Energy Technology Data Exchange (ETDEWEB)

Kawakita, Y. [Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan)]. E-mail: kawakita@rc.kyushu-u.ac.jp; Fujita, S. [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan); Kohara, S. [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Mikazuki-cho, Hyogo 679-5198 (Japan); Ohshima, K. [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan); Fujii, H. [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan); Yokota, Y. [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan); Takeda, S. [Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu, Fukuoka 810-8560 (Japan)

2005-08-15

Structure factor of liquid germanium (Ge) has a shoulder at {theta} = 3.2 A{sup -1} in the high-momentum-transfer region of the first peak. To investigate the origin of such a non-simplicity in the structure, high energy X-ray diffraction measurements have been performed using 113.26 keV incident X-ray, at BL04B2 beamline of SPring-8. By a combination of the obtained structure factor with the reported neutron diffraction data, charge density function and electron-ion partial structure factor have been deduced. The peak position of the charge distribution is located at about 1 A, rather smaller r value than the half value of nearest neighbor distance ({approx}2.7 A), which suggests that valence electrons of liquid Ge play a role of screening electrons around a metallic ion rather than covalently bonding electrons.

Advanced Design Tools for the Lifetime of Power Electronics – Study Case on Motor Drive Application

DEFF Research Database (Denmark)

Ma, Ke; Vernica, Ionut; Blaabjerg, Frede

2016-01-01

assessment of reliability performance for the power electronics is a crucial and emerging need, because it is the essential information for the reliability improvements, and thus reduction of the cost-of-energy. Unfortunately, there is still lack of suitable tools for the reliability assessment in power...... electronics. In this paper, an advanced design tool structure, which can acquire various reliability metrics of the power electronics, is proposed. The proposed design tool is based on the failure mechanisms in the critical components of the power electronics, and the mission profiles in the converter...

Fine-structure excitation of Fe II and Fe III due to collisions with electrons

Science.gov (United States)

Wan, Yier; Qi, Yueying; Favreau, Connor; Loch, Stuart; Stancil, P.; Ballance, Connor; McLaughlin, Brendan

2018-06-01

Atomic data of iron peak elements are of great importance in astronomical observations. Among all the ionization stages of iron, Fe II and Fe III are of particular importance because of the high cosmic abundance, relatively low ionization potential and complex open d-shell atomic structure. Fe II and Fe III emission are observed from nearly all classes of astronomical objects over a wide spectral range from the infrared to the ultraviolet. To meaningfully interpret these spectra, astronomers have to employ highly complex modeling codes with reliable collision data to simulate the astrophysical observations. The major aim of this work is to provide reliable atomic data for diagnostics. We present new collision strengths and effective collisions for electron impact excitation of Fe II and Fe III for the forbidden transitions among the fine-structure levels of the ground terms. A very fine energy mesh is used for the collision strengths and the effective collision strengths are calculated over a wide range of electron temperatures of astrophysical importance (10-2000 K). The configuration interaction state wave functions are generated with a scaled Thomas-Fermi-Dirac-Amaldi (TFDA) potential, while the R-matrix plus intermediate coupling frame transformation (ICFT), Breit-Pauli R-matrix and Dirac R-matrix packages are used to obtain collision strengths. Influences of the different methods and configuration expansions on the collisional data are discussed. Comparison is made with earlier theoretical work and differences are found to occur at the low temperatures considered here.This work was funded by NASA grant NNX15AE47G.

Humidity Build-Up in a Typical Electronic Enclosure Exposed to Cycling Conditions and Effect on Corrosion Reliability

DEFF Research Database (Denmark)

Conseil, Helene; Gudla, Visweswara Chakravarthy; Jellesen, Morten Stendahl

2016-01-01

The design of electronic device enclosures plays a major role in determining the humidity build-up inside the device as a response to the varying external humidity. Therefore, the corrosion reliability of electronic devices has direct connection to the enclosure design. This paper describes......, thermal mass, and port/opening size. The effect of the internal humidity build-up on corrosion reliability has been evaluated by measuring the leakage current (LC) on interdigitated test comb patterns, which are precontaminated with sodium chloride and placed inside the enclosure. The results showed...... that the exposure to cycling temperature causes significant change of internal water vapor concentration. The maximum value of humidity reached was a function of the opening size and the presence of thermal mass inside the enclosure. A pumping effect was observed due to cycling temperature, and the increase...

Electric-stress reliability and current collapse of different thickness SiNx passivated AlGaN/GaN high electron mobility transistors

International Nuclear Information System (INIS)

Ling, Yang; Gui-Zhou, Hu; Yue, Hao; Xiao-Hua, Ma; Si, Quan; Li-Yuan, Yang; Shou-Gao, Jiang

2010-01-01

This paper investigates the impact of electrical degradation and current collapse on different thickness SiN x passivated AlGaN/GaN high electron mobility transistors. It finds that higher thickness SiN x passivation can significantly improve the high-electric-field reliability of a device. The degradation mechanism of the SiN x passivation layer under ON-state stress has also been discussed in detail. Under the ON-state stress, the strong electric-field led to degradation of SiN x passivation located in the gate-drain region. As the thickness of SiN x passivation increases, the density of the surface state will be increased to some extent. Meanwhile, it is found that the high NH 3 flow in the plasma enhanced chemical vapour deposition process could reduce the surface state and suppress the current collapse. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Highly reliable field electron emitters produced from reproducible damage-free carbon nanotube composite pastes with optimal inorganic fillers

Science.gov (United States)

Kim, Jae-Woo; Jeong, Jin-Woo; Kang, Jun-Tae; Choi, Sungyoul; Ahn, Seungjoon; Song, Yoon-Ho

2014-02-01

Highly reliable field electron emitters were developed using a formulation for reproducible damage-free carbon nanotube (CNT) composite pastes with optimal inorganic fillers and a ball-milling method. We carefully controlled the ball-milling sequence and time to avoid any damage to the CNTs, which incorporated fillers that were fully dispersed as paste constituents. The field electron emitters fabricated by printing the CNT pastes were found to exhibit almost perfect adhesion of the CNT emitters to the cathode, along with good uniformity and reproducibility. A high field enhancement factor of around 10 000 was achieved from the CNT field emitters developed. By selecting nano-sized metal alloys and oxides and using the same formulation sequence, we also developed reliable field emitters that could survive high-temperature post processing. These field emitters had high durability to post vacuum annealing at 950 °C, guaranteeing survival of the brazing process used in the sealing of field emission x-ray tubes. We evaluated the field emitters in a triode configuration in the harsh environment of a tiny vacuum-sealed vessel and observed very reliable operation for 30 h at a high current density of 350 mA cm-2. The CNT pastes and related field emitters that were developed could be usefully applied in reliable field emission devices.

A reliability analysis framework with Monte Carlo simulation for weld structure of crane's beam

Science.gov (United States)

Wang, Kefei; Xu, Hongwei; Qu, Fuzheng; Wang, Xin; Shi, Yanjun

2018-04-01

The reliability of the crane product in engineering is the core competitiveness of the product. This paper used Monte Carlo method analyzed the reliability of the weld metal structure of the bridge crane whose limit state function is mathematical expression. Then we obtained the minimum reliable welding feet height value for the welds between cover plate and web plate on main beam in different coefficients of variation. This paper provides a new idea and reference for the growth of the inherent reliability of crane.

Correct Brillouin zone and electronic structure of BiPd

Science.gov (United States)

Yaresko, Alexander; Schnyder, Andreas P.; Benia, Hadj M.; Yim, Chi-Ming; Levy, Giorgio; Damascelli, Andrea; Ast, Christian R.; Peets, Darren C.; Wahl, Peter

2018-02-01

A promising route to the realization of Majorana fermions is in noncentrosymmetric superconductors, in which spin-orbit coupling lifts the spin degeneracy of both bulk and surface bands. A detailed assessment of the electronic structure is critical to evaluate their suitability for this through establishing the topological properties of the electronic structure. This requires correct identification of the time-reversal-invariant momenta. One such material is BiPd, a recently rediscovered noncentrosymmetric superconductor which can be grown in large, high-quality single crystals and has been studied by several groups using angular resolved photoemission to establish its surface electronic structure. Many of the published electronic structure studies on this material are based on a reciprocal unit cell which is not the actual Brillouin zone of the material. We show here the consequences of this for the electronic structures and show how the inferred topological nature of the material is affected.

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.

Electronic structure calculations of calcium silicate hydrates

International Nuclear Information System (INIS)

Sterne, P.A.; Meike, A.

1995-11-01

Many phases in the calcium-silicate-hydrate system can develop in cement exposed over long periods of time to temperatures above 25 C. As a consequence, chemical reactions involving these phases can affect the relative humidity and water chemistry of a radioactive waste repository that contains significant amounts of cement. In order to predict and simulate these chemical reactions, the authors are developing an internally consistent database of crystalline Ca-Si-hydrate structures. The results of first principles electronic structure calculations on two such phases, wollastonite (CaSiO 3 ) and xonotlite (Ca 6 Si 6 O 17 (OH) 2 ), are reported here. The calculated ground state properties are in very good agreement with experiment, providing equilibrium lattice parameters within about 1--1.4% of the experimentally reported values. The roles of the different types of oxygen atoms, which are fundamental to understanding the energetics of crystalline Ca-Si-hydrates are briefly discussed in terms of their electronic state densities. The good agreement with experiment for the lattice parameters and the consistency of the electronic density of states features for the two structures demonstrate the applicability of these electronic structure methods in calculating the fundamental properties of these phases

Reliability of multi-model and structurally different single-model ensembles

Energy Technology Data Exchange (ETDEWEB)

Yokohata, Tokuta [National Institute for Environmental Studies, Center for Global Environmental Research, Tsukuba, Ibaraki (Japan); Annan, James D.; Hargreaves, Julia C. [Japan Agency for Marine-Earth Science and Technology, Research Institute for Global Change, Yokohama, Kanagawa (Japan); Collins, Matthew [University of Exeter, College of Engineering, Mathematics and Physical Sciences, Exeter (United Kingdom); Jackson, Charles S.; Tobis, Michael [The University of Texas at Austin, Institute of Geophysics, 10100 Burnet Rd., ROC-196, Mail Code R2200, Austin, TX (United States); Webb, Mark J. [Met Office Hadley Centre, Exeter (United Kingdom)

2012-08-15

The performance of several state-of-the-art climate model ensembles, including two multi-model ensembles (MMEs) and four structurally different (perturbed parameter) single model ensembles (SMEs), are investigated for the first time using the rank histogram approach. In this method, the reliability of a model ensemble is evaluated from the point of view of whether the observations can be regarded as being sampled from the ensemble. Our analysis reveals that, in the MMEs, the climate variables we investigated are broadly reliable on the global scale, with a tendency towards overdispersion. On the other hand, in the SMEs, the reliability differs depending on the ensemble and variable field considered. In general, the mean state and historical trend of surface air temperature, and mean state of precipitation are reliable in the SMEs. However, variables such as sea level pressure or top-of-atmosphere clear-sky shortwave radiation do not cover a sufficiently wide range in some. It is not possible to assess whether this is a fundamental feature of SMEs generated with particular model, or a consequence of the algorithm used to select and perturb the values of the parameters. As under-dispersion is a potentially more serious issue when using ensembles to make projections, we recommend the application of rank histograms to assess reliability when designing and running perturbed physics SMEs. (orig.)

Design for a Crane Metallic Structure Based on Imperialist Competitive Algorithm and Inverse Reliability Strategy

Science.gov (United States)

Fan, Xiao-Ning; Zhi, Bo

2017-07-01

Uncertainties in parameters such as materials, loading, and geometry are inevitable in designing metallic structures for cranes. When considering these uncertainty factors, reliability-based design optimization (RBDO) offers a more reasonable design approach. However, existing RBDO methods for crane metallic structures are prone to low convergence speed and high computational cost. A unilevel RBDO method, combining a discrete imperialist competitive algorithm with an inverse reliability strategy based on the performance measure approach, is developed. Application of the imperialist competitive algorithm at the optimization level significantly improves the convergence speed of this RBDO method. At the reliability analysis level, the inverse reliability strategy is used to determine the feasibility of each probabilistic constraint at each design point by calculating its α-percentile performance, thereby avoiding convergence failure, calculation error, and disproportionate computational effort encountered using conventional moment and simulation methods. Application of the RBDO method to an actual crane structure shows that the developed RBDO realizes a design with the best tradeoff between economy and safety together with about one-third of the convergence speed and the computational cost of the existing method. This paper provides a scientific and effective design approach for the design of metallic structures of cranes.

Theoretical modeling of the electronic structure and exchange interactions in a Cu(II)Pc one-dimensional chain

Science.gov (United States)

Wu, Wei; Fisher, A. J.; Harrison, N. M.

2011-07-01

We calculate the electronic structure and exchange interactions in a copper(II)phthalocyanine [Cu(II)Pc] crystal as a one-dimensional molecular chain using hybrid exchange density functional theory (DFT). In addition, the intermolecular exchange interactions are also calculated in a molecular dimer using Green’s function perturbation theory (GFPT) to illustrate the underlying physics. We find that the exchange interactions depend strongly on the stacking angle, but weakly on the sliding angle (defined in the text). The hybrid DFT calculations also provide an insight into the electronic structure of the Cu(II)Pc molecular chain and demonstrate that on-site electron correlations have a significant effect on the nature of the ground state, the band gap, and magnetic excitations. The exchange interactions predicted by our DFT calculations and GFPT calculations agree qualitatively with the recent experimental results on newly found η-Cu(II)Pc and the previous results for the α and β phases. This work provides a reliable theoretical basis for the further application of Cu(II)Pc to molecular spintronics and organic-based quantum information processing.

Optimised and balanced structural and system reliability of offshore wind turbines. An account

Energy Technology Data Exchange (ETDEWEB)

Tarp-Johansen, N.J.; Kozine, I. (Risoe National Lab., DTU, Roskilde, (DK)); Rademarkers, L. (Netherlands Energy Research Foundation (NL)); Dalsgaard Soerensen, J. (Aalborg Univ. (DK)) Ronold, K. (Det Norske Veritas (DK))

2005-04-15

This report gives the results of the research project 'Optimised and Uniform Safety and Reliability of Offshore Wind Turbines (an account)'. The main subject of the project has been the account of the state-of-the art of knowledge about, and/or attempts to, harmonisation of the structural reliability of wind turbines, on the one hand, and the reliability of the wind turbine's control/safety system, on the other hand. Within the project some research pointing ahead has also been conducted. (au)

Electron acoustic nonlinear structures in planetary magnetospheres

Science.gov (United States)

Shah, K. H.; Qureshi, M. N. S.; Masood, W.; Shah, H. A.

2018-04-01

In this paper, we have studied linear and nonlinear propagation of electron acoustic waves (EAWs) comprising cold and hot populations in which the ions form the neutralizing background. The hot electrons have been assumed to follow the generalized ( r , q ) distribution which has the advantage that it mimics most of the distribution functions observed in space plasmas. Interestingly, it has been found that unlike Maxwellian and kappa distributions, the electron acoustic waves admit not only rarefactive structures but also allow the formation of compressive solitary structures for generalized ( r , q ) distribution. It has been found that the flatness parameter r , tail parameter q , and the nonlinear propagation velocity u affect the propagation characteristics of nonlinear EAWs. Using the plasmas parameters, typically found in Saturn's magnetosphere and the Earth's auroral region, where two populations of electrons and electron acoustic solitary waves (EASWs) have been observed, we have given an estimate of the scale lengths over which these nonlinear waves are expected to form and how the size of these structures would vary with the change in the shape of the distribution function and with the change of the plasma parameters.

Standard Hardware Acquisition and Reliability Program's (SHARP's) efforts in incorporating fiber optic interconnects into standard electronic module (SEM) connectors

Science.gov (United States)

Riggs, William R.

1994-05-01

SHARP is a Navy wide logistics technology development effort aimed at reducing the acquisition costs, support costs, and risks of military electronic weapon systems while increasing the performance capability, reliability, maintainability, and readiness of these systems. Lower life cycle costs for electronic hardware are achieved through technology transition, standardization, and reliability enhancement to improve system affordability and availability as well as enhancing fleet modernization. Advanced technology is transferred into the fleet through hardware specifications for weapon system building blocks of standard electronic modules, standard power systems, and standard electronic systems. The product lines are all defined with respect to their size, weight, I/O, environmental performance, and operational performance. This method of defining the standard is very conducive to inserting new technologies into systems using the standard hardware. This is the approach taken thus far in inserting photonic technologies into SHARP hardware. All of the efforts have been related to module packaging; i.e. interconnects, component packaging, and module developments. Fiber optic interconnects are discussed in this paper.

Proceeding of 35th domestic symposium on applications of structural reliability and risk assessment methods to nuclear power plants

International Nuclear Information System (INIS)

2005-06-01

As the 35th domestic symposium of Atomic Energy Research Committee, the Japan Welding Engineering Society, the symposium was held titled as Applications of structural reliability/risk assessment methods to nuclear energy'. Six speakers gave lectures titled as 'Structural reliability and risk assessment methods', 'Risk-informed regulation of US nuclear energy and role of probabilistic risk assessment', 'Reliability and risk assessment methods in chemical plants', 'Practical structural design methods based on reliability in architectural and civil areas', 'Maintenance activities based on reliability in thermal power plants' and 'LWR maintenance strategies based on Probabilistic Fracture Mechanics'. (T. Tanaka)

Reliability-Based Optimal Design for Very Large Floating Structure

Institute of Scientific and Technical Information of China (English)

ZHANG Shu-hua(张淑华); FUJIKUBO Masahiko

2003-01-01

Costs and losses induced by possible future extreme environmental conditions and difficulties in repairing post-yielding damage strongly suggest the need for proper consideration in design rather than just life loss prevention. This can be addressed through the development of design methodology that balances the initial cost of the very large floating structure (VLFS) against the expected potential losses resulting from future extreme wave-induced structural damage. Here, the development of a methodology for determining optimal, cost-effective design will be presented and applied to a VLFS located in the Tokyo bay. Optimal design criteria are determined based on the total expected life-cycle cost and acceptable damage probability and curvature of the structure, and a set of sizes of the structure are obtained. The methodology and applications require expressions of the initial cost and the expected life-cycle damage cost as functions of the optimal design variables. This study includes the methodology, total life-cycle cost function, structural damage modeling, and reliability analysis.

Electronic structure of lanthanide scandates

Science.gov (United States)

Mizzi, Christopher A.; Koirala, Pratik; Marks, Laurence D.

2018-02-01

X-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and density functional theory calculations were used to study the electronic structure of three lanthanide scandates: GdSc O3,TbSc O3 , and DySc O3 . X-ray photoelectron spectra simulated from first-principles calculations using a combination of on-site hybrid and GGA +U methods were found to be in good agreement with experimental x-ray photoelectron spectra. The hybrid method was used to model the ground state electronic structure and the GGA +U method accounted for the shift of valence state energies due to photoelectron emission via a Slater-Janak transition state approach. From these results, the lanthanide scandate valence bands were determined to be composed of Ln 4 f ,O 2 p , and Sc 3 d states, in agreement with previous work. However, contrary to previous work the minority Ln 4 f states were found to be located closer to, and in some cases at, the valence band maximum. This suggests that minority Ln 4 f electrons may play a larger role in lanthanide scandate properties than previously thought.

Auger electron spectroscopy analysis of high metal content micro-structures grown by electron beam induced deposition

International Nuclear Information System (INIS)

Cicoira, F.; Hoffmann, P.; Olsson, C.O.A.; Xanthopoulos, N.; Mathieu, H.J.; Doppelt, P.

2005-01-01

An auger electron spectroscopy study was carried out on Rh-containing micro-structures grown by electron beam induced deposition (EBID) of the iso-structural and iso-electronic precursors [RhCl(PF 3 ) 2 ] 2 and [RhCl(CO) 2 ] 2 . A material containing between 55 and 60 at.% Rh was obtained from both precursors. The chemical composition of structures grown from the two different precursors indicates a similar decomposition mechanism. Deposits grown from [RhCl(PF 3 ) 2 ] 2 showed a chemical composition independent of electron energy and electron dose in the investigated range of conditions

Electronic structure of MnSi : The role of electron-electron interactions

NARCIS (Netherlands)

Carbone, F; Zangrando, M; Brinkman, A; Nicolaou, A; Bondino, F; Magnano, E; Nugroho, A. A.; Parmigiani, F; Jarlborg, T; van der Marel, D

We present an experimental study of the electronic structure of MnSi. Using x-ray absorption spectroscopy (XAS), x-ray photoemission, and x-ray fluorescence, we provide experimental evidence that MnSi has a mixed valence ground state. We show that self-consistent local density approximation

Electronic structure of MnSi: The role of electron-electron interactions

NARCIS (Netherlands)

Carbone, F.; Zangrando, M.; Brinkman, Alexander; Nicolaou, A.; Bondino, F.; Magnano, E.; Nugroho, A.A.; Parmigiani, F.; Jarlborg, Th.; van der Marel, D.

2006-01-01

We present an experimental study of the electronic structure of MnSi. Using x-ray absorption spectroscopy (XAS), x-ray photoemission, and x-ray fluorescence, we provide experimental evidence that MnSi has a mixed valence ground state. We show that self-consistent local density approximation

Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

Science.gov (United States)

Mishra, P.; Lohani, H.; Kundu, A. K.; Patel, R.; Solanki, G. K.; Menon, Krishnakumar S. R.; Sekhar, B. R.

2015-07-01

The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ-Z, Γ-Y and Γ-T symmetry directions. The valence band maximum occurs nearly midway along the Γ-Z direction, at a binding energy of -0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4pz orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ-T direction. Detailed electronic structure analysis reveals the significance of the cation-anion 4p orbitals hybridization in the valence band dispersion of IV-VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis.

Electronic structure of germanium selenide investigated using ultra-violet photo-electron spectroscopy

International Nuclear Information System (INIS)

Mishra, P; Lohani, H; Sekhar, B R; Kundu, A K; Menon, Krishnakumar S R; Patel, R; Solanki, G K

2015-01-01

The valence band electronic structure of GeSe single crystals has been investigated using angle resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy. The experimentally observed bands from ARPES, match qualitatively with our LDA-based band structure calculations along the Γ–Z, Γ–Y and Γ–T symmetry directions. The valence band maximum occurs nearly midway along the Γ–Z direction, at a binding energy of −0.5 eV, substantiating the indirect band gap of GeSe. Non-dispersive features associated with surface states and indirect transitions have been observed. The difference in hybridization of Se and Ge 4p orbitals leads to the variation of dispersion along the three symmetry directions. The predominance of the Se 4p z orbitals, evidenced from theoretical calculations, may be the cause for highly dispersive bands along the Γ–T direction. Detailed electronic structure analysis reveals the significance of the cation–anion 4p orbitals hybridization in the valence band dispersion of IV–VI semiconductors. This is the first comprehensive report of the electronic structure of a GeSe single crystal using ARPES in conjugation with theoretical band structure analysis. (paper)

Simulation of Probe Position-Dependent Electron Energy-Loss Fine Structure

Energy Technology Data Exchange (ETDEWEB)

Oxley, M. P.; Kapetanakis, M. D.; Prange, Micah P.; Varela, M.; Pennycook, Stephen J.; Pantelides, Sokrates T.

2014-03-31

We present a theoretical framework for calculating probe-position-dependent electron energy-loss near-edge structure for the scanning transmission electron microscope by combining density functional theory with dynamical scattering theory. We show how simpler approaches to calculating near-edge structure fail to include the fundamental physics needed to understand the evolution of near-edge structure as a function of probe position and investigate the dependence of near-edge structure on probe size. It is within this framework that density functional theory should be presented, in order to ensure that variations of near-edge structure are truly due to local electronic structure and how much from the diffraction and focusing of the electron beam.

The electronic structure of core states under extreme compressions

International Nuclear Information System (INIS)

Straub, G.K.

1992-01-01

At normal density and for modest compressions, the electronic structure of a metal can be accurately described by treating the conduction electrons and their interactions with the usual methods of band theory. The core electrons remain essentially the same as for an isolated free atom and do not participate in the bonding forces responsible for creating a condensed phase. As the density increases, the core electrons begin to ''see'' one another as the overlap of the tails of wave functions can no longer be neglected. The electronic structure of the core electrons is responsible for an effective repulsive interaction that eventually becomes free-electron-like at very high compressions. The electronic structure of the interacting core electrons may be treated in a simple manner using the Atomic Surface Method (ASM). The ASM is a first-principles treatment of the electronic structure involving a rigorous integration of the Schroedinger equation within the atomic-sphere approximation. Solid phase wave functions are constructed from isolated atom wave functions and the band width W l and the center of gravity of the band C l are obtained from simple formulas. The ASM can also utilize analytic forms of the atomic wave functions and thus provide direct functional dependence of various aspects of the electronic structure. Of particular use in understanding the behavior of the core electrons, the ASM provides the ability to analytically determine the density dependence of the band widths and positions. The process whereby core states interact with one another is best viewed as the formation of narrow electron bands formed from atomic states. As the core-core overlap increases, the bands increase in width and mean energy. In Sec.3 this picture is further developed and from the ASM one obtains the analytic dependence on density of the relative motion of the different bands. Also in Sec. 3 is a discussion of the transition to free electron bands

Diamond surface: atomic and electronic structure

International Nuclear Information System (INIS)

Pate, B.B.

1984-01-01

Experimental studies of the diamond surface (with primary emphasis on the (111) surface) are presented. Aspects of the diamond surface which are addressed include (1) the electronic structure, (2) the atomic structure, and (3) the effect of termination of the lattice by foreign atoms. Limited studies of graphite are discussed for comparison with the diamond results. Experimental results from valence band and core level photoemission spectroscopy (PES), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), and carbon 1s near edge x-ray absorption fine structure (NEXAFS) spectroscopy (both the total electron yield (TEY) and Auger electron yield (AEY) techniques) are used to study and characterize both the clean and hydrogenated surface. In addition, the interaction of hydrogen with the diamond surface is examined using results from vibrational high resolution low energy electron loss spectroscopy (in collaboration with Waclawski, Pierce, Swanson, and Celotta at the National Bureau of Standards) and photon stimulated ion desorption (PSID) yield at photon energies near the carbon k-edge (hv greater than or equal to 280 eV). Both EELS and PSID verify that the mechanically polished 1 x 1 surface is hydrogen terminated and also that the reconstructed surface is hydrogen free. The (111) 2 x 2/2 x 1 reconstructed surface is obtained from the hydrogenated (111) 1 x 1:H surface by annealing to approx. = 1000 0 C. We observe occupied intrinsic surface states and a surface chemical shift (0.95 +- 0.1 eV) to lower binding energy of the carbon 1s level on the hydrogen-free reconstructed surface. Atomic hydrogen is found to be reactive with the reconstructed surface, while molecular hydrogen is relatively inert. Exposure of the reconstructed surface to atomic hydrogen results in chemisorption of hydrogen and removal of the intrinsic surface state emission in and near the band gap region

Sensitivity of Reliability Estimates in Partially Damaged RC Structures subject to Earthquakes, using Reduced Hysteretic Models

DEFF Research Database (Denmark)

Iwankiewicz, R.; Nielsen, Søren R. K.; Skjærbæk, P. S.

The subject of the paper is the investigation of the sensitivity of structural reliability estimation by a reduced hysteretic model for a reinforced concrete frame under an earthquake excitation.......The subject of the paper is the investigation of the sensitivity of structural reliability estimation by a reduced hysteretic model for a reinforced concrete frame under an earthquake excitation....

Structural and Electronic Investigations of Complex Intermetallic Compounds

Energy Technology Data Exchange (ETDEWEB)

Ko, Hyunjin [Iowa State Univ., Ames, IA (United States)

2008-01-01

In solid state chemistry, numerous investigations have been attempted to address the relationships between chemical structure and physical properties. Such questions include: (1) How can we understand the driving forces of the atomic arrangements in complex solids that exhibit interesting chemical and physical properties? (2) How do different elements distribute themselves in a solid-state structure? (3) Can we develop a chemical understanding to predict the effects of valence electron concentration on the structures and magnetic ordering of systems by both experimental and theoretical means? Although these issues are relevant to various compound classes, intermetallic compounds are especially interesting and well suited for a joint experimental and theoretical effort. For intermetallic compounds, the questions listed above are difficult to answer since many of the constituent atoms simply do not crystallize in the same manner as in their separate, elemental structures. Also, theoretical studies suggest that the energy differences between various structural alternatives are small. For example, Al and Ga both belong in the same group on the Periodic Table of Elements and share many similar chemical properties. Al crystallizes in the fcc lattice with 4 atoms per unit cell and Ga crystallizes in an orthorhombic unit cell lattice with 8 atoms per unit cell, which are both fairly simple structures (Figure 1). However, when combined with Mn, which itself has a very complex cubic crystal structure with 58 atoms per unit cell, the resulting intermetallic compounds crystallize in a completely different fashion. At the 1:1 stoichiometry, MnAl forms a very simple tetragonal lattice with two atoms per primitive unit cell, while MnGa crystallizes in a complicated rhombohedral unit cell with 26 atoms within the primitive unit cell. The mechanisms influencing the arrangements of atoms in numerous crystal structures have been studied theoretically by calculating electronic

Reliability prediction of large fuel cell stack based on structure stress analysis

Science.gov (United States)

Liu, L. F.; Liu, B.; Wu, C. W.

2017-09-01

The aim of this paper is to improve the reliability of Proton Electrolyte Membrane Fuel Cell (PEMFC) stack by designing the clamping force and the thickness difference between the membrane electrode assembly (MEA) and the gasket. The stack reliability is directly determined by the component reliability, which is affected by the material property and contact stress. The component contact stress is a random variable because it is usually affected by many uncertain factors in the production and clamping process. We have investigated the influences of parameter variation coefficient on the probability distribution of contact stress using the equivalent stiffness model and the first-order second moment method. The optimal contact stress to make the component stay in the highest level reliability is obtained by the stress-strength interference model. To obtain the optimal contact stress between the contact components, the optimal thickness of the component and the stack clamping force are optimally designed. Finally, a detailed description is given how to design the MEA and gasket dimensions to obtain the highest stack reliability. This work can provide a valuable guidance in the design of stack structure for a high reliability of fuel cell stack.

Reliability Analysis of Structural Timber Systems

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard; Hoffmeyer, P.

2000-01-01

Structural systems like timber trussed rafters and roof elements made of timber can be expected to have some degree of redundancy and nonlinear/plastic behaviour when the loading consists of for example snow or imposed load. In this paper this system effect is modelled and the statistic...... of variation. In the paper a stochastic model is described for the strength of a single piece of timber taking into account the stochastic variation of the strength and stiffness with length. Also stochastic models for different types of loads are formulated. First, simple representative systems with different...... types of redundancy and non-linearity are considered. The statistical characteristics of the load bearing capacity are determined by reliability analysis. Next, more complex systems are considered modelling the mechanical behaviour of timber roof elements I stressed skin panels made of timber. Using...

Temperature dependence of the electronic structure of semiconductors and insulators

Energy Technology Data Exchange (ETDEWEB)

Poncé, S., E-mail: samuel.pon@gmail.com; Gillet, Y.; Laflamme Janssen, J.; Gonze, X. [European Theoretical Spectroscopy Facility and Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des étoiles 8, bte L07.03.01, B-1348 Louvain-la-neuve (Belgium); Marini, A. [Consiglio Nazionale delle Ricerche (CNR), Via Salaria Km 29.3, CP 10, 00016 Monterotondo Stazione (Italy); Verstraete, M. [European Theoretical Spectroscopy Facility and Physique des matériaux et nanostructures, Université de Liège, Allée du 6 Août 17, B-4000 Liège (Belgium)

2015-09-14

The renormalization of electronic eigenenergies due to electron-phonon coupling (temperature dependence and zero-point motion effect) is sizable in many materials with light atoms. This effect, often neglected in ab initio calculations, can be computed using the perturbation-based Allen-Heine-Cardona theory in the adiabatic or non-adiabatic harmonic approximation. After a short description of the recent progresses in this field and a brief overview of the theory, we focus on the issue of phonon wavevector sampling convergence, until now poorly understood. Indeed, the renormalization is obtained numerically through a slowly converging q-point integration. For non-zero Born effective charges, we show that a divergence appears in the electron-phonon matrix elements at q → Γ, leading to a divergence of the adiabatic renormalization at band extrema. This problem is exacerbated by the slow convergence of Born effective charges with electronic wavevector sampling, which leaves residual Born effective charges in ab initio calculations on materials that are physically devoid of such charges. Here, we propose a solution that improves this convergence. However, for materials where Born effective charges are physically non-zero, the divergence of the renormalization indicates a breakdown of the adiabatic harmonic approximation, which we assess here by switching to the non-adiabatic harmonic approximation. Also, we study the convergence behavior of the renormalization and develop reliable extrapolation schemes to obtain the converged results. Finally, the adiabatic and non-adiabatic theories, with corrections for the slow Born effective charge convergence problem (and the associated divergence) are applied to the study of five semiconductors and insulators: α-AlN, β-AlN, BN, diamond, and silicon. For these five materials, we present the zero-point renormalization, temperature dependence, phonon-induced lifetime broadening, and the renormalized electronic band structure.

Physics of Failure as a Basis for Solder Elements Reliability Assessment in Wind Turbines

DEFF Research Database (Denmark)

Kostandyan, Erik; Sørensen, John Dalsgaard

2012-01-01

description of the reliability. A physics of failure approach is applied. A SnAg solder component used in power electronics is used as an example. Crack propagation in the SnAg solder is modeled and a model to assess the accumulated plastic strain is proposed based on a physics of failure approach. Based...... on the proposed model it is described how to find the accumulated linear damage and reliability levels for a given temperature loading profile. Using structural reliability methods the reliability levels of the electrical components are assessed by introducing scale factors for stresses....

LED system reliability

NARCIS (Netherlands)

Driel, W.D. van; Yuan, C.A.; Koh, S.; Zhang, G.Q.

2011-01-01

This paper presents our effort to predict the system reliability of Solid State Lighting (SSL) applications. A SSL system is composed of a LED engine with micro-electronic driver(s) that supplies power to the optic design. Knowledge of system level reliability is not only a challenging scientific

Reliability Calculations

DEFF Research Database (Denmark)

Petersen, Kurt Erling

1986-01-01

Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety...... and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic...... approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very...

Reliability-based service life assessment of concrete structures in nuclear power plants: optimum inspection and repair

International Nuclear Information System (INIS)

Ellingwood, B.R.; Mori, Y.

1995-01-01

Research is being conducted to address aging management of safety-related reinforced concrete structures in nuclear power plants (NPPs). Documentation is being prepared to identify potential structural safety issues and to recommend criteria for use in evaluating reinforced concrete structures for continued service. Time-dependent reliability analysis provides the framework and quantitative tools for the condition assessment. The role of in-service inspection and repair in ensuring continued reliability in-service is examined. (author). 19 refs., 4 figs

The Role of Human Error in Design, Construction, and Reliability of Marine Structures.

Science.gov (United States)

1994-10-01

the fundamental reason for the disparities between computed or notional reliabilities and actuarial relia- bilities. Another important finding from...Marine Structures Lack of recognition of HOE is the fundamental reason for the disparities between computed or notional reliabilities and actuarial ...Conference on Offshore Mechanics and Arctic Engineering, ASME Paper No. OMAE-92-1372, Calgary, Alberta, Canada. Bea, R. G., et al. (1994). "Quality Assurance

Methodology for performing RF reliability experiments on a generic test structure

NARCIS (Netherlands)

Sasse, G.T.; de Vries, Rein J.; Schmitz, Jurriaan

2007-01-01

This paper discusses a new technique developed for generating well defined RF large voltage swing signals for on wafer experiments. This technique can be employed for performing a broad range of different RF reliability experiments on one generic test structure. The frequency dependence of a

Reliability Approach of a Compressor System using Reliability Block ...

African Journals Online (AJOL)

pc

2018-03-05

Mar 5, 2018 ... This paper presents a reliability analysis of such a system using reliability ... Keywords-compressor system, reliability, reliability block diagram, RBD .... the same structure has been kept with the three subsystems: air flow, oil flow and .... and Safety in Engineering Design", Springer, 2009. [3] P. O'Connor ...

Relationship between the electronic structure and the glide in the hexagonal close packed metals

International Nuclear Information System (INIS)

Legrand, B.; Le Hazif, R.

1983-06-01

In all hexagonal close-packed metals (HCP), deformation is performed by slip on a mean glide system (MGS) and on several secondary systems. There are no reliable predictions of the MGS choice. In this paper is shown the role played by the electronic structure on the choice of glide system in HCP metals. MGS is basal for all normal metals and is a function of the electron number in HCP transition metals. The different SFE's were calculated using appropriate total energy models, for different metals. Thus pseudopotentials were used (or empirical pair potentials) for normal metals, and a tight-binding model for transition metals. The most important results are the following: prismatic SFE (PSFE) is smaller than basal SFE (BSFE) for Y, Ti, Zr, Hf, Ru and Os; BSFE is smaller than PSFE for Co and all normal metals; BSFE and PSFe and about the same for RE and Tc

New Approaches to Reliability Assessment

DEFF Research Database (Denmark)

Ma, Ke; Wang, Huai; Blaabjerg, Frede

2016-01-01

of energy. New approaches for reliability assessment are being taken in the design phase of power electronics systems based on the physics-of-failure in components. In this approach, many new methods, such as multidisciplinary simulation tools, strength testing of components, translation of mission profiles......, and statistical analysis, are involved to enable better prediction and design of reliability for products. This article gives an overview of the new design flow in the reliability engineering of power electronics from the system-level point of view and discusses some of the emerging needs for the technology...

Reliability Oriented Circuit Design For Power Electronics Applications

DEFF Research Database (Denmark)

Sintamarean, Nicolae Cristian

is presented. Chapter 3 presents the electro-thermal model validation and the reliability studies performed by the proposed tool. The chapter ends with a detailed lifetime analysis, which emphasizes the mission-profile variation and gate-driver parameters variation impact on the PV-inverter devices lifetime......Highly reliable components are required in order to minimize the downtime during the lifetime of the converter and implicitly the maintenance costs. Therefore, the design of high reliable converters under constrained reliability and cost is a great challenge to be overcome in the future....... Moreover, the impact of the mission-profile sampling time on the lifetime estimation accuracy is also determined. The second part of the thesis introduced in Chapter 4, presents a novel gate-driver concept which reduces the dependency of the device power losses variations on the device loading variations...

The effect of electron localization on the electronic structure and migration barrier of oxygen vacancies in rutile.

Science.gov (United States)

Zhu, Linggang; Hu, Qing-Miao; Yang, Rui

2014-02-05

By applying the on-site Coulomb interaction (Hubbard term U) to the Ti d orbital, the influence of electron localization on the electronic structure as well as the transport of oxygen vacancies (VO) in rutile was investigated. With U = 4.5 eV, the positions of defect states in the bandgap were correctly reproduced. The unbonded electrons generated by taking out one neutral oxygen atom are spin parallel and mainly localized on the Ti atoms near VO, giving rise to a magnetic moment of 2 μB, in agreement with the experimental finding. With regard to the migration barrier of VO, surprisingly, we found that U = 4.5 eV only changed the value of the energy barrier by ±0.15 eV, depending on the diffusion path. The most probable diffusion path (along [110]) is the same as that calculated by using the traditional GGA functional. To validate the GGA + U method itself, a hybrid functional with a smaller supercell was used, and the trend of the more probable diffusion path was not changed. In this regard, the traditional GGA functional might still be reliable in the study of intrinsic-defect transportation in rutile. Analyzing the atomic distortion and density of states of the transition states for different diffusion paths, we found that the anisotropy of the diffusion could be rationalized according to the various atomic relaxations and the different positions of the valence bands relative to the Fermi level of the transition states.

Electronic structure of silicene

International Nuclear Information System (INIS)

Voon, L. C. Lew Yan

2015-01-01

In this topical review, we discuss the electronic structure of free-standing silicene by comparing results obtained using different theoretical methods. Silicene is a single atomic layer of silicon similar to graphene. The interest in silicene is the same as for graphene, in being two-dimensional and possessing a Dirac cone. One advantage of silicene is due to its compatibility with current silicon electronics. Both empirical and first-principles techniques have been used to study the electronic properties of silicene. We will provide a brief overview of the parameter space for first-principles calculations. However, since the theory is standard, no extensive discussion will be included. Instead, we will emphasize what empirical methods can provide to such investigations and the current state of these theories. Finally, we will review the properties computed using both types of theories for free-standing silicene, with emphasis on areas where we have contributed. Comparisons to graphene is provided throughout. (topical review)

Finite Element Reliability Analysis of Chloride Ingress into Reinforced Concrete Structures

DEFF Research Database (Denmark)

Frier, Christian; Sørensen, John Dalsgaard

2007-01-01

For many reinforced concrete structures corrosion of the reinforcement is an important problem since it can result in maintenance and repair actions. Further, a reduction of the load-bearing capacity can occur. In the present paper the Finite Element Reliability Method (FERM) is employed for obta......For many reinforced concrete structures corrosion of the reinforcement is an important problem since it can result in maintenance and repair actions. Further, a reduction of the load-bearing capacity can occur. In the present paper the Finite Element Reliability Method (FERM) is employed...... concentration and reinforcement cover depth are modelled by stochastic fields, which are discretized using the Expansion Optimum Linear Estimation (EOLE) approach. The response gradients needed for FORM analysis are derived analytically using the Direct Differentiation Method (DDM). As an example, a bridge pier...... in a marine environment is considered and the results are given in terms of distributions of time for initiation of corrosion....

Chemical modulation of electronic structure at the excited state

Science.gov (United States)

Li, F.; Song, C.; Gu, Y. D.; Saleem, M. S.; Pan, F.

2017-12-01

Spin-polarized electronic structures are the cornerstone of spintronics, and have thus attracted a significant amount of interest; in particular, researchers are looking into how to modulate the electronic structure to enable multifunctional spintronics applications, especially in half-metallic systems. However, the control of the spin polarization has only been predicted in limited two-dimensional systems with spin-polarized Dirac structures and is difficult to achieve experimentally. Here, we report the modulation of the electronic structure in the light-induced excited state in a typical half-metal, L a1 /2S r1 /2Mn O3 -δ . According to the spin-transport measurements, there appears a light-induced increase in magnetoresistance due to the enhanced spin scattering, which is closely associated with the excited spin polarization. Strikingly, the light-induced variation can be enhanced via alcohol processing and reduced by oxygen annealing. X-ray photoelectron spectroscopy measurements show that in the chemical process, a redox reaction occurs with a change in the valence of Mn. Furthermore, first-principles calculations reveal that the change in the valence of Mn alters the electronic structure and consequently modulates the spin polarization in the excited state. Our findings thus report a chemically tunable electronic structure, demonstrating interesting physics and the potential for multifunctional applications and ultrafast spintronics.

Electron vortex magnetic holes: A nonlinear coherent plasma structure

Energy Technology Data Exchange (ETDEWEB)

Haynes, Christopher T., E-mail: c.t.haynes@qmul.ac.uk; Burgess, David; Sundberg, Torbjorn [School of Physics and Astronomy, Queen Mary University of London, Mile End Road, London E1 4NS (United Kingdom); Camporeale, Enrico [Multiscale Dynamics, Centrum Wiskunde and Informatica (CWI), Amsterdam (Netherlands)

2015-01-15

We report the properties of a novel type of sub-proton scale magnetic hole found in two dimensional particle-in-cell simulations of decaying turbulence with a guide field. The simulations were performed with a realistic value for ion to electron mass ratio. These structures, electron vortex magnetic holes (EVMHs), have circular cross-section. The magnetic field depression is associated with a diamagnetic azimuthal current provided by a population of trapped electrons in petal-like orbits. The trapped electron population provides a mean azimuthal velocity and since trapping preferentially selects high pitch angles, a perpendicular temperature anisotropy. The structures arise out of initial perturbations in the course of the turbulent evolution of the plasma, and are stable over at least 100 electron gyroperiods. We have verified the model for the EVMH by carrying out test particle and PIC simulations of isolated structures in a uniform plasma. It is found that (quasi-)stable structures can be formed provided that there is some initial perpendicular temperature anisotropy at the structure location. The properties of these structures (scale size, trapped population, etc.) are able to explain the observed properties of magnetic holes in the terrestrial plasma sheet. EVMHs may also contribute to turbulence properties, such as intermittency, at short scale lengths in other astrophysical plasmas.

Structural reliability codes for probabilistic design

DEFF Research Database (Denmark)

Ditlevsen, Ove Dalager

1997-01-01

probabilistic code format has not only strong influence on the formal reliability measure, but also on the formal cost of failure to be associated if a design made to the target reliability level is considered to be optimal. In fact, the formal cost of failure can be different by several orders of size for two...... different, but by and large equally justifiable probabilistic code formats. Thus, the consequence is that a code format based on decision theoretical concepts and formulated as an extension of a probabilistic code format must specify formal values to be used as costs of failure. A principle of prudence...... is suggested for guiding the choice of the reference probabilistic code format for constant reliability. In the author's opinion there is an urgent need for establishing a standard probabilistic reliability code. This paper presents some considerations that may be debatable, but nevertheless point...

Correlated electronic structure of CeN

Energy Technology Data Exchange (ETDEWEB)

Panda, S.K., E-mail: swarup.panda@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Di Marco, I. [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Delin, A. [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); KTH Royal Institute of Technology, School of Information and Communication Technology, Department of Materials and Nano Physics, Electrum 229, SE-164 40 Kista (Sweden); KTH Royal Institute of Technology, Swedish e-Science Research Center (SeRC), SE-100 44 Stockholm (Sweden); Eriksson, O., E-mail: olle.eriksson@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden)

2016-04-15

Highlights: • The electronic structure of CeN is studied within the GGA+DMFT approach using SPTF and Hubbard I approximation. • 4f spectral functions from SPTF and Hubbard I are coupled to explain the various spectroscopic manifestations of CeN. • The calculated XPS and BIS spectra show good agreement with the corresponding experimental spectra. • The contribution of the various l-states and the importance of cross-sections for the photoemission process are analyzed. - Abstract: We have studied in detail the electronic structure of CeN including spin orbit coupling (SOC) and electron–electron interaction, within the dynamical mean-field theory combined with density-functional theory in generalized gradient approximation (GGA+DMFT). The effective impurity problem has been solved through the spin-polarized T-matrix fluctuation-exchange (SPTF) solver and the Hubbard I approximation (HIA). The calculated l-projected atomic partial densities of states and the converged potential were used to obtain the X-ray-photoemission-spectra (XPS) and Bremstrahlung Isochromat spectra (BIS). Following the spirit of Gunnarsson–Schonhammer model, we have coupled the SPTF and HIA 4f spectral functions to explain the various spectroscopic manifestations of CeN. Our computed spectra in such a coupled scheme explain the experimental data remarkably well, establishing the validity of our theoretical model in analyzing the electronic structure of CeN. The contribution of the various l-states in the total spectra and the importance of cross sections are also analyzed in detail.

Some aspects of the reliability-based design of reactor containment structures

International Nuclear Information System (INIS)

Schueller, G.I.

1975-01-01

It is generally recognized that the load which a structure is likely to experience during its design life as well as its resistance are to be represented by random variables. A rational design procedure for reactor containment structures can therefore only be carried out within a probabilistic framework. Internal load conditions caused by system failure such as loss-of-coolant accident, pressure loads etc., and external load conditions caused for instance by impact due to aircraft crashes, external pressure waves and natural hazards such as earthquakes, floods, hurricanes are described by extreme value distributions of the Fisher-Tippett types. Statistical and physical arguments are given to support their application. The occurrence of these rare events with respect to time is modeled by a Poisson process. The yield strength of the containment structure for both steel (liner) and reinforced concrete shells is also modeled by extreme value distributions (of the smallest values). The failure criterion considered here is that of collapse determined by plastic yieldline formation. A failure mechanism as considered here describes a particular regime of plastic line formation. The probability of failure of a structure under a single load application of load types likely to occur during the design life of the structure is to be determined by integrating over all possible mechanisms. Finally Freudenthal's reliability function is utilized to combine the information derived above so that a containment design for given design lifes and reliabilities is possible. (orig.) [de

Enabling More than Moore: Accelerated Reliability Testing and Risk Analysis for Advanced Electronics Packaging

Science.gov (United States)

Ghaffarian, Reza; Evans, John W.

2014-01-01

For five decades, the semiconductor industry has distinguished itself by the rapid pace of improvement in miniaturization of electronics products-Moore's Law. Now, scaling hits a brick wall, a paradigm shift. The industry roadmaps recognized the scaling limitation and project that packaging technologies will meet further miniaturization needs or ak.a "More than Moore". This paper presents packaging technology trends and accelerated reliability testing methods currently being practiced. Then, it presents industry status on key advanced electronic packages, factors affecting accelerated solder joint reliability of area array packages, and IPC/JEDEC/Mil specifications for characterizations of assemblies under accelerated thermal and mechanical loading. Finally, it presents an examples demonstrating how Accelerated Testing and Analysis have been effectively employed in the development of complex spacecraft thereby reducing risk. Quantitative assessments necessarily involve the mathematics of probability and statistics. In addition, accelerated tests need to be designed which consider the desired risk posture and schedule for particular project. Such assessments relieve risks without imposing additional costs. and constraints that are not value added for a particular mission. Furthermore, in the course of development of complex systems, variances and defects will inevitably present themselves and require a decision concerning their disposition, necessitating quantitative assessments. In summary, this paper presents a comprehensive view point, from technology to systems, including the benefits and impact of accelerated testing in offsetting risk.

Electronic structure and electron dynamics at Si(100)

Energy Technology Data Exchange (ETDEWEB)

Weinelt, M. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Max-Born-Institut, Berlin (Germany); Kutschera, M.; Schmidt, R.; Orth, C.; Fauster, T. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Rohlfing, M. [International University Bremen, School of Engineering and Science, P.O. Box 750 561, Bremen (Germany)

2005-02-01

The electronic structure and electron dynamics at a Si(100) surface is studied by two-photon photoemission (2PPE). At 90 K the occupied D{sub up} dangling-bond state is located 150{+-}50 meV below the valence-band maximum (VBM) at the center of the surface Brillouin zone anti {gamma} and exhibits an effective hole mass of (0.5{+-}0.15)m{sub e}. The unoccupied D{sub down} band has a local minimum at anti {gamma} at 650{+-}50 meV above the VBM and shows strong dispersion along the dimer rows of the c(4 x 2) reconstructed surface. At 300 K the D{sub down} position shifts comparable to the Si conduction-band minimum by 40 meV to lower energies but the dispersion of the dangling-bond states is independent of temperature. The surface band bending for p-doped silicon is less than 30 meV, while acceptor-type defects cause significant and preparation-dependent band bending on n-doped samples. 2PPE spectra of Si(100) are dominated by interband transitions between the occupied and unoccupied surface states and emission out of transiently and permanently charged surface defects. Including electron-hole interaction in many-body calculations of the quasi-particle band structure leads us to assign a dangling-bond split-off state to a quasi-one-dimensional surface exciton with a binding energy of 130 meV. Electrons resonantly excited to the unoccupied D{sub down} dangling-bond band with an excess energy of about 350 meV need 1.5{+-}0.2 ps to scatter via phonon emission to the band bottom at anti {gamma} and relax within 5 ps with an excited hole in the occupied surface band to form an exciton living for nanoseconds. (orig.)

One-Electron Theory of Metals. Cohesive and Structural Properties

DEFF Research Database (Denmark)

Skriver, Hans Lomholt

The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...

The reliability of structural systems operating at high temperature: Replacing engineering judgement with operational experience

International Nuclear Information System (INIS)

Chevalier, M.J.; Smith, D.J.; Dean, D.W.

2012-01-01

Deterministic assessments are used to assess the integrity of structural systems operating at high temperature by providing a lower bound lifetime prediction, requiring considerable engineering judgement. However such a result may not satisfy the structural integrity assessment purpose if the results are overly conservative or conversely plant observations (such as failures) could undermine the assessment result if observed before the lower bound lifetime. This paper develops a reliability methodology for high temperature assessments and illustrates the impact and importance of managing the uncertainties within such an analysis. This is done by separating uncertainties into three classifications; aleatory uncertainty, quantifiable epistemic uncertainty and unquantifiable epistemic uncertainty. The result is a reliability model that can predict the behaviour of a structural system based upon plant observations, including failure and survival data. This can be used to reduce the over reliance upon engineering judgement which is prevalent in deterministic assessments. Highlights: ► Deterministic assessments are shown to be heavily reliant upon engineering judgment. ► Based upon the R5 procedure, a reliability model for a structural system is developed. ► Variables must be classified as either aleatory or epistemic to model their impact on reliability. ► Operation experience is then used to reduce reliance upon engineering judgment. ► This results in a model which can predict system behaviour and learn from operational experience.

Reliability and factor structure of the audit among male and female ...

African Journals Online (AJOL)

We assessed the reliability and dimensional structure of the Alcohol Use Disorders Identification Test (AUDIT) among bar patrons in a rural area of South Africa. In total, 406 bar patrons completed a questionnaire containing the AUDIT, and demographic and psychosocial measures. The participants consisted of 314 (77.3%) ...

Correlation effects in magnetic materials: An ab initio investigation on electronic structure and spectroscopy

International Nuclear Information System (INIS)

Minár, J.; Braun, J.; Ebert, H.

2013-01-01

Highlights: ► We compare spin-resolved ARPES data of ferromagnetic 3d transition metals to many-body LSDA + DMFT based spectroscopic calculations. ► We document LSDA + DMFT provides a detailed and reliable interpretation of the data. ► We demonstrate that local correlations are dominant in Ni, whereas non-local correlations are important in Fe and Co. ► We reproduce the 6 eV satellite structure in ferromagnetic Ni LDSDA + DMFT in combination with the one-step model of photoemission provides a more or less complete description of the electronic structure of Fe, Co and Ni. -- Abstract: Various technical developments enlarged the potential of angle-resolved photoemission spectroscopy (ARPES) tremendously during the last two decades. In particular improved momentum and energy resolution in combination with spin-resolution as well as the use of photon energies from few eV up to several keV makes ARPES a rather unique tool to investigate the electronic properties of solids and surfaces. Obviously, this rises the need for a corresponding theoretical formalism that allows to accompany experimental ARPES studies in an adequate way. As will be demonstrated by several examples this goal could be achieved by various recent developments on the basis of density functional theory (DFT) in combination with dynamical mean field theory (DMFT) and with the one-step model of photoemission (1SM). A concrete realization of electronic structure calculations in the framework of multiple scattering theory further more provides direct access to the spectral function of the initial states via the one-electron Green function. Based on this bare spectral function matrix-element and final-state effects as well as surface related features may be calculated in addition using the one-step formalism that offers the possibility to analyse corresponding angle-resolved photoemission experiments in a quantitative sense. The impact of chemical disorder can be handled by means of the coherent

Spectral-Product Methods for Electronic Structure Calculations (Preprint)

National Research Council Canada - National Science Library

Langhoff, P. W; Mills, J. E; Boatz, J. A

2006-01-01

.... The spectral-product approach to molecular electronic structure avoids the repeated evaluations of the one- and two-electron integrals required in construction of polyatomic Hamiltonian matrices...

Spectral-Product Methods for Electronic Structure Calculations (Postprint)

National Research Council Canada - National Science Library

Langhoff, P. W; Hinde, R. J; Mills, J. D; Boatz, J. A

2007-01-01

.... The spectral-product approach to molecular electronic structure avoids the repeated evaluations of the one- and two-electron integrals required in construction of polyatomic Hamiltonian matrices...

Analytical local electron-electron interaction model potentials for atoms

International Nuclear Information System (INIS)

Neugebauer, Johannes; Reiher, Markus; Hinze, Juergen

2002-01-01

Analytical local potentials for modeling the electron-electron interaction in an atom reduce significantly the computational effort in electronic structure calculations. The development of such potentials has a long history, but some promising ideas have not yet been taken into account for further improvements. We determine a local electron-electron interaction potential akin to those suggested by Green et al. [Phys. Rev. 184, 1 (1969)], which are widely used in atom-ion scattering calculations, electron-capture processes, and electronic structure calculations. Generalized Yukawa-type model potentials are introduced. This leads, however, to shell-dependent local potentials, because the origin behavior of such potentials is different for different shells as has been explicated analytically [J. Neugebauer, M. Reiher, and J. Hinze, Phys. Rev. A 65, 032518 (2002)]. It is found that the parameters that characterize these local potentials can be interpolated and extrapolated reliably for different nuclear charges and different numbers of electrons. The analytical behavior of the corresponding localized Hartree-Fock potentials at the origin and at long distances is utilized in order to reduce the number of fit parameters. It turns out that the shell-dependent form of Green's potential, which we also derive, yields results of comparable accuracy using only one shell-dependent parameter

Development and reliability of a structured interview guide for the Montgomery Asberg Depression Rating Scale (SIGMA).

Science.gov (United States)

Williams, Janet B W; Kobak, Kenneth A

2008-01-01

The Montgomery-Asberg Depression Rating Scale (MADRS) is often used in clinical trials to select patients and to assess treatment efficacy. The scale was originally published without suggested questions for clinicians to use in gathering the information necessary to rate the items. Structured and semi-structured interview guides have been found to improve reliability with other scales. To describe the development and test-retest reliability of a structured interview guide for the MADRS (SIGMA). A total of 162 test-retest interviews were conducted by 81 rater pairs. Each patient was interviewed twice, once by each rater conducting an independent interview. The intraclass correlation for total score between raters using the SIGMA was r=0.93, Preliability. Use of the SIGMA can result in high reliability of MADRS scores in evaluating patients with depression.

Building fast, reliable, and adaptive software for computational science

International Nuclear Information System (INIS)

Rendell, A P; Antony, J; Armstrong, W; Janes, P; Yang, R

2008-01-01

Building fast, reliable, and adaptive software is a constant challenge for computational science, especially given recent developments in computer architecture. This paper outlines some of our efforts to address these three issues in the context of computational chemistry. First, a simple linear performance that can be used to model and predict the performance of Hartree-Fock calculations is discussed. Second, the use of interval arithmetic to assess the numerical reliability of the sort of integrals used in electronic structure methods is presented. Third, use of dynamic code modification as part of a framework to support adaptive software is outlined

Feelings about culture scales: development, factor structure, reliability, and validity.

Science.gov (United States)

Maffini, Cara S; Wong, Y Joel

2015-04-01

Although measures of cultural identity, values, and behavior exist in the multicultural psychological literature, there is currently no measure that explicitly assesses ethnic minority individuals' positive and negative affect toward culture. Therefore, we developed 2 new measures called the Feelings About Culture Scale--Ethnic Culture and Feelings About Culture Scale--Mainstream American Culture and tested their psychometric properties. In 6 studies, we piloted the measures, conducted factor analyses to clarify their factor structure, and examined reliability and validity. The factor structure revealed 2 dimensions reflecting positive and negative affect for each measure. Results provided evidence for convergent, discriminant, criterion-related, and incremental validity as well as the reliability of the scales. The Feelings About Culture Scales are the first known measures to examine both positive and negative affect toward an individual's ethnic culture and mainstream American culture. The focus on affect captures dimensions of psychological experiences that differ from cognitive and behavioral constructs often used to measure cultural orientation. These measures can serve as a valuable contribution to both research and counseling by providing insight into the nuanced affective experiences ethnic minority individuals have toward culture. (c) 2015 APA, all rights reserved).

A multipole acceptability criterion for electronic structure theory

International Nuclear Information System (INIS)

Schwegler, E.; Challacombe, M.; Head-Gordon, M.

1998-01-01

Accurate and computationally inexpensive estimates of multipole expansion errors are crucial to the success of several fast electronic structure methods. In this paper, a new nonempirical multipole acceptability criterion is described that is directly applicable to expansions of high order moments. Several model calculations typical of electronic structure theory are presented to demonstrate its performance. For cases involving small translation distances, accuracies are increased by up to five orders of magnitude over an empirical criterion. The new multipole acceptance criterion is on average within an order of magnitude of the exact expansion error. Use of the multipole acceptance criterion in hierarchical multipole based methods as well as in traditional electronic structure methods is discussed. copyright 1998 American Institute of Physics

Structure of conduction electrons on polysilanes

Energy Technology Data Exchange (ETDEWEB)

Ichikawa, Tsuneki [Hokkaido Univ., Sapporo (Japan); Kumagai, Jun

1998-10-01

The orbital structures of conduction electrons on permethylated oligosilane, Si{sub 2n}(CH{sub 3}){sub 2n+2}(n = 2 - 8), and poly(cyclohexylmethylsilane) have been determined by the electron spin-echo envelope modulation signals of the radical anions of these silanes in a deuterated rigid matrix at 77 K. The conduction electron on permethylated oligosilane is delocalized over the entire main chain, whereas that on poly(cyclohexylmethylsilane) is localized on a part of the main chain composed of about six Si atoms. Quantum-chemical calculations suggest that Anderson localization due to fluctuation of {sigma} conjugation by conformational disorder of the main chain is responsible for the localization of both the conduction electron and the hole. (author)

Phase stability and electronic structure of transition-metal aluminides

International Nuclear Information System (INIS)

Carlsson, A.E.

1992-01-01

This paper will describe the interplay between die electronic structure and structural energetics in simple, complex, and quasicrystalline Al-transition metal (T) intermetallics. The first example is the Ll 2 -DO 22 competition in Al 3 T compounds. Ab-initio electronic total-energy calculations reveal surprisingly large structural-energy differences, and show that the phase stability of both stoichiometric and ternary-substituted compounds correlates closely with a quasigap in the electronic density of states (DOS). Secondly, ab-initio calculations for the structural stability of the icosahedrally based Al 12 W structure reveal similar quasigap effects, and provide a simple physical explanation for the stability of the complex aluminide structures. Finally, parametrized tight-binding model calculations for the Al-Mn quasicrystal reveal a large spread in the local Mn DOS behavior, and support a two-site model for the quasicrystal's magnetic behavior

Galvanic corrosion of structural non-stoichiometric silicon nitride thin films and its implications on reliability of microelectromechanical devices

Energy Technology Data Exchange (ETDEWEB)

Broas, M., E-mail: mikael.broas@aalto.fi; Mattila, T. T.; Paulasto-Kröckel, M. [Department of Electrical Engineering and Automation, Aalto University, Espoo, P.O. Box 13500, FIN-00076 Aalto (Finland); Liu, X.; Ge, Y. [Department of Materials Science and Engineering, Aalto University, Espoo, P.O. Box 16200, FIN-00076 Aalto (Finland)

2015-06-28

This paper describes a reliability assessment and failure analysis of a poly-Si/non-stoichiometric silicon nitride thin film composite structure. A set of poly-Si/SiN{sub x} thin film structures were exposed to a mixed flowing gas (MFG) environment, which simulates outdoor environments, for 90 days, and an elevated temperature and humidity (85 °C/95% R.H.) test for 140 days. The mechanical integrity of the thin films was observed to degrade during exposure to the chemically reactive atmospheres. The degree of degradation was analyzed with nanoindentation tests. Statistical analysis of the forces required to initiate a fracture in the thin films indicated degradation due to the exposure to the MFG environment in the SiN{sub x} part of the films. Scanning electron microscopy revealed a porous-like reaction layer on top of SiN{sub x}. The morphology of the reaction layer resembled that of galvanically corroded poly-Si. Transmission electron microscopy further clarified the microstructure of the reaction layer which had a complex multi-phase structure extending to depths of ∼100 nm. Furthermore, the layer was oxidized two times deeper in a 90 days MFG-tested sample compared to an untested reference. The formation of the layer is proposed to be caused by galvanic corrosion of elemental silicon in non-stoichiometric silicon nitride during hydrofluoric acid etching. The degradation is proposed to be due uncontrolled oxidation of the films during the stress tests.

Study of Fuze Structure and Reliability Design Based on the Direct Search Method

Science.gov (United States)

Lin, Zhang; Ning, Wang

2017-03-01

Redundant design is one of the important methods to improve the reliability of the system, but mutual coupling of multiple factors is often involved in the design. In my study, Direct Search Method is introduced into the optimum redundancy configuration for design optimization, in which, the reliability, cost, structural weight and other factors can be taken into account simultaneously, and the redundant allocation and reliability design of aircraft critical system are computed. The results show that this method is convenient and workable, and applicable to the redundancy configurations and optimization of various designs upon appropriate modifications. And this method has a good practical value.

Reliability updating based on monitoring of structural response parameters

International Nuclear Information System (INIS)

Leira, B.J.

2016-01-01

Short- and long-term aspects of measuring structural response parameters are addressed. Two specific examples of such measurements are considered for the purpose of illustration and in order to focus the discussion. These examples are taken from the petroleum industry (monitoring of riser response) and from the shipping industry (monitoring of ice-induced strains in a ship hull). Similarities and differences between the two cases are elaborated with respect to which are the most relevant mechanical limit states. Furthermore, main concerns related to reliability levels within a short-term versus long-term time horizon are highlighted. Quantifying the economic benefits of applying monitoring systems is also addressed. - Highlights: • Two examples of structural response monitoring are described. • Application of measurements is discussed in relation to updating of load and structural parameters. • Quantification of the value of response monitoring is made for both of the examples.

Electronic structure of multi-walled carbon fullerenes

International Nuclear Information System (INIS)

Doore, Keith; Cook, Matthew; Clausen, Eric; Lukashev, Pavel V; Kidd, Tim E; Stollenwerk, Andrew J

2017-01-01

Despite an enormous amount of research on carbon based nanostructures, relatively little is known about the electronic structure of multi-walled carbon fullerenes, also known as carbon onions. In part, this is due to the very high computational expense involved in estimating electronic structure of large molecules. At the same time, experimentally, the exact crystal structure of the carbon onion is usually unknown, and therefore one relies on qualitative arguments only. In this work we present the results of a computational study on a series of multi-walled fullerenes and compare their electronic structures to experimental data. Experimentally, the carbon onions were fabricated using ultrasonic agitation of isopropanol alcohol and deposited onto the surface of highly ordered pyrolytic graphite using a drop cast method. Scanning tunneling microscopy images indicate that the carbon onions produced using this technique are ellipsoidal with dimensions on the order of 10 nm. The majority of differential tunneling spectra acquired on individual carbon onions are similar to that of graphite with the addition of molecular-like peaks, indicating that these particles span the transition between molecules and bulk crystals. A smaller, yet sizable number exhibited a semiconducting gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) levels. These results are compared with the electronic structure of different carbon onion configurations calculated using first-principles. Similar to the experimental results, the majority of these configurations are metallic with a minority behaving as semiconductors. Analysis of the configurations investigated here reveals that each carbon onion exhibiting an energy band gap consisted only of non-metallic fullerene layers, indicating that the interlayer interaction is not significant enough to affect the total density of states in these structures. (paper)

Standardized structure of electronic records for information exchange

International Nuclear Information System (INIS)

Galabova, Sevdalina; Trencheva, Tereza; Trenchev, Ivan

2009-01-01

In the paper is presented the structure of the electronic record whose form is standardized in ISO 2709:2008. This International Standard describes a generalized structure, a framework designed specially for communications between data processing systems and not for use as a processing format within systems.Basic terms are defined as follows: character, data field, directory, directory map, field, field separator etc. It’s presented the general structure of a record. The application analysis of this structure shows the effective information exchange in the widest range.The purpose of this research is to find out advantages and structure of the information exchange format standardized in ISO 2709:2008. Key words: Standardized structure, electronic records, exchange formats, data field, directory, directory map, indicators, identifiers

Structural phase transition and opto-electronic properties of NaZnAs

Energy Technology Data Exchange (ETDEWEB)

Djied, A.; Seddik, T.; Merabiha, O. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 (Algeria); Murtaza, G. [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 (Algeria); Ahmed, R., E-mail: rashidahmed@utm.my [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Bin-Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Uğur, Ş. [Department of Physics, Faculty of Sciences, Gazi University, 06500 Teknikokullar, Ankara (Turkey); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University Setif 1, 19000 Setif (Algeria)

2015-02-15

Highlights: • First competent characterizations of NaZnAs at the level of FP-LAPW+lo. • NaZnAs, a potential alternative candidate to III-V for photovoltaic applications. • NaZnAs, a cheaper and abundantly available direct band gap semiconductor. • Potential material for solar radiation absorber from infrared to ultraviolet. - Abstract: In this study, we predict the structural phase transitions as well as opto-electronic properties of the filled-tetrahedral (Nowotny-Juza) NaZnAs compound. Calculations employ the full potential (FP) linearized augmented plane wave (LAPW) plus local orbitals (lo) scheme. The exchange-correlation potential is treated within the generalized gradient approximation of Perdew-Burke and Ernzerhof (GGA-PBE). In addition, Tran and Blaha (TB) modified Becke-Johnson (mBJ) potential is also used to obtain more accurate optoelectronic properties. Geometry optimization is performed to obtain reliable total energies and other structural parameters for each NaZnAs phase. In our study, the sequence of the structural phase transition on compression is Cu{sub 2}Sb-type → β → α phase. NaZnAs is a direct (Γ-Γ) band gap semiconductor for all the structural phases. However, compared to PBE-GGA, the mBJ approximation reproduces better fundamental band gaps. Moreover, for insight into its potential for photovoltaic applications, different optical parameters are studied.

Structural phase transition and opto-electronic properties of NaZnAs

International Nuclear Information System (INIS)

Djied, A.; Seddik, T.; Merabiha, O.; Murtaza, G.; Khenata, R.; Ahmed, R.; Bin-Omran, S.; Uğur, Ş.; Bouhemadou, A.

2015-01-01

Highlights: • First competent characterizations of NaZnAs at the level of FP-LAPW+lo. • NaZnAs, a potential alternative candidate to III-V for photovoltaic applications. • NaZnAs, a cheaper and abundantly available direct band gap semiconductor. • Potential material for solar radiation absorber from infrared to ultraviolet. - Abstract: In this study, we predict the structural phase transitions as well as opto-electronic properties of the filled-tetrahedral (Nowotny-Juza) NaZnAs compound. Calculations employ the full potential (FP) linearized augmented plane wave (LAPW) plus local orbitals (lo) scheme. The exchange-correlation potential is treated within the generalized gradient approximation of Perdew-Burke and Ernzerhof (GGA-PBE). In addition, Tran and Blaha (TB) modified Becke-Johnson (mBJ) potential is also used to obtain more accurate optoelectronic properties. Geometry optimization is performed to obtain reliable total energies and other structural parameters for each NaZnAs phase. In our study, the sequence of the structural phase transition on compression is Cu 2 Sb-type → β → α phase. NaZnAs is a direct (Γ-Γ) band gap semiconductor for all the structural phases. However, compared to PBE-GGA, the mBJ approximation reproduces better fundamental band gaps. Moreover, for insight into its potential for photovoltaic applications, different optical parameters are studied

Surface electron structure of short-period semiconductor superlattice

International Nuclear Information System (INIS)

Bartos, I.; Czech Academy Science, Prague,; Strasser, T.; Schattke, W.

2004-01-01

Full text: Semiconductor superlattices represent man-made crystals with unique physical properties. By means of the directed layer-by-layer molecular epitaxy growth their electric properties can be tailored (band structure engineering). Longer translational periodicity in the growth direction is responsible for opening of new electron energy gaps (minigaps) with surface states and resonances localized at superlattice surfaces. Similarly as for the electron structure of the bulk, a procedure enabling to modify the surface electron structure of superlattices is desirable. Short-period superlattice (GaAs) 2 (AlAs) 2 with unreconstructed (100) surface is investigated in detail. Theoretical description in terms of full eigenfunctions of individual components has to be used. The changes of electron surface state energies governed by the termination of a periodic crystalline potential, predicted on simple models, are confirmed for this system. Large surface state shifts are found in the lowest minigap of the superlattice when this is terminated in four different topmost layer configurations. The changes should be observable in angle resolved photoelectron spectroscopy as demonstrated in calculations based on the one step model of photoemission. Surface state in the center of the two dimensional Brillouin zone moves from the bottom of the minigap (for the superlattice terminated by two bilayers of GaAs) to its top (for the superlattice terminated by two bilayers of AlAs) where it becomes a resonance. No surface state/resonance is found for a termination with one bilayer of AlAs. The surface state bands behave similarly in the corresponding gaps of the k-resolved section of the electron band structure. The molecular beam epitaxy, which enables to terminate the superlattice growth with atomic layer precision, provides a way of tuning the superlattice surface electron structure by purely geometrical means. The work was supported by the Grant Agency of the Academy of Sciences

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

Science.gov (United States)

Yang, Huihui; Chen, Hongshan

2017-07-01

The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

The Electronic Structure of Calcium

DEFF Research Database (Denmark)

Jan, J.-P.; Skriver, Hans Lomholt

1981-01-01

The electronic structure of calcium under pressure is re-examined by means of self-consistent energy band calculations based on the local density approximation and using the linear muffin-tin orbitals (LMTO) method with corrections to the atomic sphere approximation included. At zero pressure...

Ballistic transport and electronic structure

NARCIS (Netherlands)

Schep, Kees M.; Kelly, Paul J.; Bauer, Gerrit E.W.

1998-01-01

The role of the electronic structure in determining the transport properties of ballistic point contacts is studied. The conductance in the ballistic regime is related to simple geometrical projections of the Fermi surface. The essential physics is first clarified for simple models. For real

Electronic structure of binuclear acetylacetonates of boron difluoride

Science.gov (United States)

Tikhonov, Sergey A.; Svistunova, Irina V.; Samoilov, Ilya S.; Osmushko, Ivan S.; Borisenko, Aleksandr V.; Vovna, Vitaliy I.

2018-05-01

The electronic structure of boron difluoride acetylacetonate and its three derivatives was studied using photoelectron and absorption spectroscopy, as well as the density functional theory. In a series of binuclear acetylacetonate complexes containing bridge-moieties of sulfur and selenium atoms, it was found an appreciable mixing of the π3-orbital of the chelate cycle with atomic orbitals S 3p and Se 4p resulting in destabilization of the HOMO levels by 0.4-0.6 eV, in comparison with the monomer. The positively charged fragment C(CH3)-CX-C(CH3) causes the field effect, which leads to stabilization of the LUMO levels by 0.3-0.4 eV and C 1s-levels by 0.5-1.2 eV. An analysis of the research results on the electronic structure made it possible to determine the effect of substituents in the γ position on the absorption spectra, which is mainly determined by the electron density transfer from the chalcogen atoms to the chelate cycles. It is shown that the calculated energy intervals between electron levels correlate well with the structure of the photoelectron spectra of valence and core electrons.

Human enamel structure studied by high resolution electron microscopy

International Nuclear Information System (INIS)

Wen, S.L.

1989-01-01

Human enamel structural features are characterized by high resolution electron microscopy. The human enamel consists of polycrystals with a structure similar to Ca10(PO4)6(OH)2. This article describes the structural features of human enamel crystal at atomic and nanometer level. Besides the structural description, a great number of high resolution images are included. Research into the carious process in human enamel is very important for human beings. This article firstly describes the initiation of caries in enamel crystal at atomic and unit-cell level and secondly describes the further steps of caries with structural and chemical demineralization. The demineralization in fact, is the origin of caries in human enamel. The remineralization of carious areas in human enamel has drawn more and more attention as its potential application is realized. This process has been revealed by high resolution electron microscopy in detail in this article. On the other hand, the radiation effects on the structure of human enamel are also characterized by high resolution electron microscopy. In order to reveal this phenomenon clearly, a great number of electron micrographs have been shown, and a physical mechanism is proposed. 26 references

Reliability and Hierarchical Structure of DSM-5 Pathological Traits in a Danish Mixed Sample

DEFF Research Database (Denmark)

Bo, Sune; Bach, Bo; Mortensen, Erik Lykke

2016-01-01

In this study we assessed the DSM-5 trait model in a large Danish sample (n = 1,119) with respect to reliability of the applied Danish version of the Personality Inventory for DSM-5 (PID-5) self-report form by means of internal consistency and item discrimination. In addition, we tested whether...... the five-factor structure of the DSM-5 trait model can be replicated in a Danish independent sample using the PID-5 self-report form. Finally, we examined the hierarchical structure of DSM-5 traits. In terms of internal consistency and item discrimination, the applied PID-5 scales were generally found...... reliable and functional; our data resembled the five-factor structure of previous findings, and we identified a hierarchical structure from one to five factors that was conceptually reasonable and corresponded with existing findings. These results support the new DSM-5 trait model and suggest that it can...

On structural reliability under time-varying multi-parameter loading

International Nuclear Information System (INIS)

Augusti, G.

1975-01-01

Special attention will be paid to the superimposition of loads of different origin and characteristics (e.g. long-term loads like the furniture and usual occupancy load in a building and short-term loads like explosions, earthquakes, storms, etc.): it will be recognized that a single procedure for all cases does not appear practical, and that, within a general framework special method must be devised according to the type of loads and structural responses. For instance, the superimposition of impulsive loads must be studied with reference to the response time of the structure. It will be shown that usually, the statistics of extreme values are not sufficient for a correct study of superimposition: the instantaneous probability distributions of the load intensities are also required. The results obtained with respect to the loads can be joined with previous results by Augusti and Baratta (see e.g. SMiRT-2 paper M7/8) on structural strength, for the evaluation of the probability of success (i.e. the reliability) of a structural design

Electronic structure of the high-temperature oxide superconductors

International Nuclear Information System (INIS)

Pickett, W.E.

1989-01-01

Since the discovery of superconductivity above 30 K by Bednorz and Mueller in the La copper oxide system, the critical temperature has been raised to 90 K in YBa 2 Cu 3 O 7 and to 110 and 125 K in Bi-based and Tl-based copper oxides, respectively. In the two years since this Nobel-prize-winning discovery, a large number of electronic structure calculations have been carried out as a first step in understanding the electronic properties of these materials. In this paper these calculations (mostly of the density-functional type) are gathered and reviewed, and their results are compared with the relevant experimental data. The picture that emerges is one in which the important electronic states are dominated by the copper d and oxygen p orbitals, with strong hybridization between them. Photon, electron, and positron spectroscopies provide important information about the electronic states, and comparison with electronic structure calculations indicates that, while many features can be interpreted in terms of existing calculations, self-energy corrections (''correlations'') are important for a more detailed understanding. The antiferromagnetism that occurs in some regions of the phase diagram poses a particularly challenging problem for any detailed theory. The study of structural stability, lattice dynamics, and electron-phonon coupling in the copper oxides is also discussed. Finally, a brief review is given of the attempts so far to identify interaction constants appropriate for a model Hamiltonian treatment of many-body interactions in these materials

Momentum space analysis of the electronic structure of biphenyl

International Nuclear Information System (INIS)

Morini, F; Shojaei, S H Reza; Deleuze, M S

2014-01-01

The results of a yet to come experimental study of the electronic structure of biphenyl employing electron momentum spectroscopy (EMS) have been theoretically predicted, taking into account complications such as structural mobility in the electronic ground state, electronic correlation and relaxation, and a dispersion of the inner-valence ionization intensity to electronically excited (shake-up) configurations in the cation. The main purpose of this work is to explore the current limits of EMS in unraveling details of the molecular structure, namely the torsional characteristics of large and floppy aromatic molecules. At the benchmark ADC(3)/cc-pVDZ level of theory, the influence of the twist angle between the two phenyl rings is found to be extremely limited, except for individual orbital momentum profiles corresponding to ionization lines at electron binding energies ranging from 15 to 18 eV. When taking band overlap effects into account, this influence is deceptively far too limited to allow for any experimental determination of the torsional characteristics of biphenyl by means of EMS. (paper)

Reliability prediction for structures under cyclic loads and recurring inspections

Directory of Open Access Journals (Sweden)

Alberto W. S. Mello Jr

2009-06-01

Full Text Available This work presents a methodology for determining the reliability of fracture control plans for structures subjected to cyclic loads. It considers the variability of the parameters involved in the problem, such as initial flaw and crack growth curve. The probability of detection (POD curve of the field non-destructive inspection method and the condition/environment are used as important factors for structural confidence. According to classical damage tolerance analysis (DTA, inspection intervals are based on detectable crack size and crack growth rate. However, all variables have uncertainties, which makes the final result totally stochastic. The material properties, flight loads, engineering tools and even the reliability of inspection methods are subject to uncertainties which can affect significantly the final maintenance schedule. The present methodology incorporates all the uncertainties in a simulation process, such as Monte Carlo, and establishes a relationship between the reliability of the overall maintenance program and the proposed inspection interval, forming a “cascade” chart. Due to the scatter, it also defines the confidence level of the “acceptable” risk. As an example, the damage tolerance analysis (DTA results are presented for the upper cockpit longeron splice bolt of the BAF upgraded F-5EM. In this case, two possibilities of inspection intervals were found: one that can be characterized as remote risk, with a probability of failure (integrity nonsuccess of 1 in 10 million, per flight hour; and other as extremely improbable, with a probability of nonsuccess of 1 in 1 billion, per flight hour, according to aviation standards. These two results are compared with the classical military airplane damage tolerance requirements.

Design for Reliability in Renewable Energy Systems

DEFF Research Database (Denmark)

Blaabjerg, Frede; Zhou, Dao; Sangwongwanich, Ariya

2017-01-01

Power electronics are widely used in renewable energy systems to achieve lower cost of energy, higher efficiency and high power density. At the same time, the high reliability of the power electronics products is demanded, in order to reduce the failure rates and ensure cost-effective operation...... of the renewable energy systems. This paper thus describes the basic concepts used in reliability engineering, and presents the status and future trends of Design for Reliability (DfR) in power electronics, which is currently undergoing a paradigm shift to a physics-of-failure approach. Two case studies of a 2 MW...

Structural stability, electronic structure and mechanical properties of actinide carbides AnC (An = U, Np)

International Nuclear Information System (INIS)

Manikandan, M.; Santhosh, M.; Rajeswarapalanichamy, R.

2016-01-01

Ab initio calculations are performed to investigate the structural stability, electronic structure and mechanical properties of actinide carbides AnC (An=U, Np) for three different crystal structures, namely NaCl, CsCl and ZnS. Among the considered structures, NaCl structure is found to be the most stable structure for these carbides at normal pressure. A pressure induced structural phase transition from NaCl to ZnS is observed. The electronic structure reveals that these carbides are metals. The calculated elastic constants indicate that these carbides are mechanically stable at normal pressure.

Atomic and electronic structure of exfoliated black phosphorus

International Nuclear Information System (INIS)

Wu, Ryan J.; Topsakal, Mehmet; Jeong, Jong Seok; Wentzcovitch, Renata M.; Mkhoyan, K. Andre; Low, Tony; Robbins, Matthew C.; Haratipour, Nazila; Koester, Steven J.

2015-01-01

Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO 3 or H 3 PO 3 during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time

A reliability simulation language for reliability analysis

International Nuclear Information System (INIS)

Deans, N.D.; Miller, A.J.; Mann, D.P.

1986-01-01

The results of work being undertaken to develop a Reliability Description Language (RDL) which will enable reliability analysts to describe complex reliability problems in a simple, clear and unambiguous way are described. Component and system features can be stated in a formal manner and subsequently used, along with control statements to form a structured program. The program can be compiled and executed on a general-purpose computer or special-purpose simulator. (DG)

Regression analysis of the structure function for reliability evaluation of continuous-state system

International Nuclear Information System (INIS)

Gamiz, M.L.; Martinez Miranda, M.D.

2010-01-01

Technical systems are designed to perform an intended task with an admissible range of efficiency. According to this idea, it is permissible that the system runs among different levels of performance, in addition to complete failure and the perfect functioning one. As a consequence, reliability theory has evolved from binary-state systems to the most general case of continuous-state system, in which the state of the system changes over time through some interval on the real number line. In this context, obtaining an expression for the structure function becomes difficult, compared to the discrete case, with difficulty increasing as the number of components of the system increases. In this work, we propose a method to build a structure function for a continuum system by using multivariate nonparametric regression techniques, in which certain analytical restrictions on the variable of interest must be taken into account. Once the structure function is obtained, some reliability indices of the system are estimated. We illustrate our method via several numerical examples.

Regression analysis of the structure function for reliability evaluation of continuous-state system

Energy Technology Data Exchange (ETDEWEB)

Gamiz, M.L., E-mail: mgamiz@ugr.e [Departamento de Estadistica e I.O., Facultad de Ciencias, Universidad de Granada, Granada 18071 (Spain); Martinez Miranda, M.D. [Departamento de Estadistica e I.O., Facultad de Ciencias, Universidad de Granada, Granada 18071 (Spain)

2010-02-15

Technical systems are designed to perform an intended task with an admissible range of efficiency. According to this idea, it is permissible that the system runs among different levels of performance, in addition to complete failure and the perfect functioning one. As a consequence, reliability theory has evolved from binary-state systems to the most general case of continuous-state system, in which the state of the system changes over time through some interval on the real number line. In this context, obtaining an expression for the structure function becomes difficult, compared to the discrete case, with difficulty increasing as the number of components of the system increases. In this work, we propose a method to build a structure function for a continuum system by using multivariate nonparametric regression techniques, in which certain analytical restrictions on the variable of interest must be taken into account. Once the structure function is obtained, some reliability indices of the system are estimated. We illustrate our method via several numerical examples.

Electronic structure and optical properties of solid C60

International Nuclear Information System (INIS)

Mattesini, M.; Ahuja, R.; Sa, L.; Hugosson, H.W.; Johansson, B.; Eriksson, O.

2009-01-01

The electronic structure and the optical properties of face-centered-cubic C 60 have been investigated by using an all-electron full-potential method. Our ab initio results show that the imaginary dielectric function for high-energy values looks very similar to that of graphite, revealing close electronic structure similarities between the two systems. We have also identified the origin of different peaks in the dielectric function of fullerene by means of the calculated electronic density of states. The computed optical spectrum compares fairly well with the available experimental data for the Vis-UV absorption spectrum of solid C 60 .

Rapid and reliable protein structure determination via chemical shift threading.

Science.gov (United States)

Hafsa, Noor E; Berjanskii, Mark V; Arndt, David; Wishart, David S

2018-01-01

Protein structure determination using nuclear magnetic resonance (NMR) spectroscopy can be both time-consuming and labor intensive. Here we demonstrate how chemical shift threading can permit rapid, robust, and accurate protein structure determination using only chemical shift data. Threading is a relatively old bioinformatics technique that uses a combination of sequence information and predicted (or experimentally acquired) low-resolution structural data to generate high-resolution 3D protein structures. The key motivations behind using NMR chemical shifts for protein threading lie in the fact that they are easy to measure, they are available prior to 3D structure determination, and they contain vital structural information. The method we have developed uses not only sequence and chemical shift similarity but also chemical shift-derived secondary structure, shift-derived super-secondary structure, and shift-derived accessible surface area to generate a high quality protein structure regardless of the sequence similarity (or lack thereof) to a known structure already in the PDB. The method (called E-Thrifty) was found to be very fast (often chemical shift refinement, these results suggest that protein structure determination, using only NMR chemical shifts, is becoming increasingly practical and reliable. E-Thrifty is available as a web server at http://ethrifty.ca .

Reliability calculations

International Nuclear Information System (INIS)

Petersen, K.E.

1986-03-01

Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)

Electronic band structures of binary skutterudites

Energy Technology Data Exchange (ETDEWEB)

Khan, Banaras [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Aliabad, H.A. Rahnamaye [Department of Physics, Hakim Sabzevari University, Sabzevar (Iran, Islamic Republic of); Saifullah [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Jalali-Asadabadi, S. [Department of Physics, Faculty of Science, University of Isfahan (UI), 81744 Isfahan (Iran, Islamic Republic of); Khan, Imad [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan); Ahmad, Iftikhar, E-mail: ahma5532@gmail.com [Center for Computational Materials Science, University of Malakand, Chakdara (Pakistan); Department of Physics, University of Malakand, Chakdara (Pakistan)

2015-10-25

The electronic properties of complex binary skutterudites, MX{sub 3} (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures.

Electronic band structures of binary skutterudites

International Nuclear Information System (INIS)

Khan, Banaras; Aliabad, H.A. Rahnamaye; Saifullah; Jalali-Asadabadi, S.; Khan, Imad; Ahmad, Iftikhar

2015-01-01

The electronic properties of complex binary skutterudites, MX 3 (M = Co, Rh, Ir; X = P, As, Sb) are explored, using various density functional theory (DFT) based theoretical approaches including Green's Function (GW) as well as regular and non-regular Tran Blaha modified Becke Jhonson (TB-mBJ) methods. The wide range of calculated bandgap values for each compound of this skutterudites family confirm that they are theoretically as challenging as their experimental studies. The computationally expensive GW method, which is generally assume to be efficient in the reproduction of the experimental bandgaps, is also not very successful in the calculation of bandgaps. In this article, the issue of the theoretical bandgaps of these compounds is resolved by reproducing the accurate experimental bandgaps, using the recently developed non-regular TB-mBJ approach, based on DFT. The effectiveness of this technique is due to the fact that a large volume of the binary skutterudite crystal is empty and hence quite large proportion of electrons lie outside of the atomic spheres, where unlike LDA and GGA which are poor in the treatment of these electrons, this technique properly treats these electrons and hence reproduces the clear electronic picture of these compounds. - Highlights: • Theoretical and experimental electronic band structures of binary skutterudites are reviewed. • The literature reveals that none of the existing theoretical results are consistent with the experiments. • GW, regular and non-regular TB-mBJ methods are used to reproduce the correct results. • The GW and regular TB-mBJ results are better than the available results in literature. • However, non-regular TB-mBJ reproduces the correct experimental band structures

Scenario based approach to structural damage detection and its value in a risk and reliability perspective

DEFF Research Database (Denmark)

Hovgaard, Mads Knude; Hansen, Jannick Balleby; Brincker, Rune

2013-01-01

A scenario- and vibration based structural damage detection method is demonstrated though simulation. The method is Finite Element (FE) based. The value of the monitoring is calculated using structural reliability theory. A high cycle fatigue crack propagation model is assumed as the damage mecha......- and without monitoring. Monte Carlo Sampling (MCS) is used to estimate the probabilities and the tower of an onshore NREL 5MW wind turbine is given as a calculation case......A scenario- and vibration based structural damage detection method is demonstrated though simulation. The method is Finite Element (FE) based. The value of the monitoring is calculated using structural reliability theory. A high cycle fatigue crack propagation model is assumed as the damage...

Reliability, Validity and Factor Structure of Drug Abuse Screening Test

Directory of Open Access Journals (Sweden)

Sayed Hadi Sayed Alitabar

2016-05-01

Full Text Available Background and Objective: According to the increasing of substance use in the country, more researches about this phenomenon are necessary. This Study Investigates the Validity, Reliability and Confirmatory Factor Structure of the Drug Abuse Screening test (DAST. Materials and Methods: The Sample Consisted of 381 Patients (143 Women and 238 Men with a Multi-Stage Cluster Sampling of Areas 2, 6 and 12 of Tehran Were Selected from Each Region, 6 Randomly Selected Drug Rehabilitation Center. The DAST Was Used as Instrument. Divergent & Convergent Validity of this Scale Was Assessed with Problems Assessment for Substance Using Psychiatric Patients (PASUPP and Relapse Prediction Scale (RPS.Results: The DAST after the First Time Factor Structure of Using Confirmatory Factor Analysis Was Confirmed. The DAST Had a Good Internal Consistency (Cranach’s Alpha, and the Reliability of the Test Within a Week, 0.9, 0.8. Also this Scale Had a Positive Correlation with Problems Assessment for Substance Using Psychiatric Patients and Relapse Prediction Scale (P<0.01.Conclusion: The Overall Results Showed that the Drug Abuse Screening Test in Iranian Society Is Valid. It Can Be Said that Self-Report Scale Tool Is Useful for Research Purposes and Addiction.

The valence electron structure and property analysis of TiC

Institute of Scientific and Technical Information of China (English)

无

2001-01-01

The valence electron structure of TiC was calculated by using the empirical electron theory of solids and molecules. The calculated results show that with the increase of temperature the number of common electrons of TiC increases, which indicates that TiC has a good thermal sta-bility; and there exists a close relationship between hardness and brittleness of TiC. According to the number of lattice electrons, the differences among the crystals with different structures can be explained qualitatively. Using the "bond- strengthening factor", the differences of hardness among the crystals with different structures can also be qualitatively explained to some extent.

Push-pull alkenes: structure and p-electron distribution

Directory of Open Access Journals (Sweden)

ERICH KLEINPETER

2006-01-01

Full Text Available Push-pull alkenes are substituted alkenes with one or two electron-donating substituents on one end of C=C double bond and with one or two electron-accepting substituents at the other end. Allowance for p-electron delocalization leads to the central C=C double bond becoming ever more polarized and with rising push-pull character, the p-bond order of this double bond is reduced and, conversely, the corresponding p-bond orders of the C–Don and C–Acc bonds are accordingly increased. This push-pull effect is of decisive influence on both the dynamic behavior and the chemical reactivity of this class of compounds and thus it is of considerable interest to both determine and to quantify the inherent push-pull effect. Previously, the barriers to rotation about the C=C, C–Don and/or C–Acc partial double bonds (DG±, as determined by dynamic NMR spectroscopy or the 13C chemical shift difference of the polarized C=C partial double bond (DdC=C were employed for this purpose. However, these parameters can have serious limitations, viz. the barriers can be immeasurable on the NMR timescale (either by being too high or too low; heavily-biased conformers are present, etc. or DdC=C behaves in a non-additive manner with respect to the combination of the four substituents. Hence, a general parameter to quantify the push-pull effect is not yet available. Ab initio MO calculations on a collection of compounds, together with NBO analysis, provided valuable information on the structure, bond energies, electron occupancies and bonding/antibonding interactions. In addition to DG±C=C (either experimentally determined or theoretically calculated and DdC=C, the bond length of the C=C partial double bond was also examined and it proved to be a reliable parameter to quantify the push-pull effect. Equally so, the quotient of the occupation numbers of the antibonding andbonding p orbitals of the central C=C partial double bond ( p*C=C/ pC=C could also be employed for

Electron-Poor Polar Intermetallics: Complex Structures, Novel Clusters, and Intriguing Bonding with Pronounced Electron Delocalization.

Science.gov (United States)

Lin, Qisheng; Miller, Gordon J

2018-01-16

Intermetallic compounds represent an extensive pool of candidates for energy related applications stemming from magnetic, electric, optic, caloric, and catalytic properties. The discovery of novel intermetallic compounds can enhance understanding of the chemical principles that govern structural stability and chemical bonding as well as finding new applications. Valence electron-poor polar intermetallics with valence electron concentrations (VECs) between 2.0 and 3.0 e - /atom show a plethora of unprecedented and fascinating structural motifs and bonding features. Therefore, establishing simple structure-bonding-property relationships is especially challenging for this compound class because commonly accepted valence electron counting rules are inappropriate. During our efforts to find quasicrystals and crystalline approximants by valence electron tuning near 2.0 e - /atom, we observed that compositions close to those of quasicrystals are exceptional sources for unprecedented valence electron-poor polar intermetallics, e.g., Ca 4 Au 10 In 3 containing (Au 10 In 3 ) wavy layers, Li 14.7 Mg 36.8 Cu 21.5 Ga 66 adopting a type IV clathrate framework, and Sc 4 Mg x Cu 15-x Ga 7.5 that is incommensurately modulated. In particular, exploratory syntheses of AAu 3 T (A = Ca, Sr, Ba and T = Ge, Sn) phases led to interesting bonding features for Au, such as columns, layers, and lonsdaleite-type tetrahedral frameworks. Overall, the breadth of Au-rich polar intermetallics originates, in part, from significant relativistics effect on the valence electrons of Au, effects which result in greater 6s/5d orbital mixing, a small effective metallic radius, and an enhanced Mulliken electronegativity, all leading to ultimate enhanced binding with nearly all metals including itself. Two other successful strategies to mine electron-poor polar intermetallics include lithiation and "cation-rich" phases. Along these lines, we have studied lithiated Zn-rich compounds in which structural

Atomic and electronic structures of divacancy in graphene nanoribbons

Energy Technology Data Exchange (ETDEWEB)

Zhao Jun [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Zeng Hui, E-mail: zenghui@yangtzeu.edu.cn [College of Physical Science and Technology, Yangtze University, Jingzhou, Hubei 434023 (China); Wei Jianwei [School of Mathematics and Physics, Chongqing University of Technology, Chongqing 400054 (China)

2012-01-15

First principles calculations have been performed to investigate the electronic structures and transport properties of defective graphene nanoribbons (GNRs) in the presence of pentagon-octagon-pentagon (5-8-5) defects. Electronic band structure results reveal that 5-8-5 defects in the defective zigzag graphene nanoribbon (ZGNR) is unfavorable for electronic transport. However, such defects in the defective armchair graphene nanoribbon (AGNR) give rise to smaller band gap than that in the pristine AGNR, and eventually results in semiconductor to metal-like transition. The distinct roles of 5-8-5 defects in two kinds of edged-GNR are attributed to the different coupling between {pi}{sup Low-Asterisk} and {pi} subbands influenced by the defects. Our findings indicate the possibility of a new route to improve the electronic transport properties of graphene nanoribbons via tailoring the atomic structures by ion irradiation.

Orbital approach to the electronic structure of solids

CERN Document Server

Canadell, Enric; Iung, Christophe

2012-01-01

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

Reliability Analysis of Tubular Joints in Offshore Structures

DEFF Research Database (Denmark)

Thoft-Christensen, Palle; Sørensen, John Dalsgaard

1987-01-01

Reliability analysis of single tubular joints and offshore platforms with tubular joints is" presented. The failure modes considered are yielding, punching, buckling and fatigue failure. Element reliability as well as systems reliability approaches are used and illustrated by several examples....... Finally, optimal design of tubular.joints with reliability constraints is discussed and illustrated by an example....

Nature-Inspired Structural Materials for Flexible Electronic Devices.

Science.gov (United States)

Liu, Yaqing; He, Ke; Chen, Geng; Leow, Wan Ru; Chen, Xiaodong

2017-10-25

Exciting advancements have been made in the field of flexible electronic devices in the last two decades and will certainly lead to a revolution in peoples' lives in the future. However, because of the poor sustainability of the active materials in complex stress environments, new requirements have been adopted for the construction of flexible devices. Thus, hierarchical architectures in natural materials, which have developed various environment-adapted structures and materials through natural selection, can serve as guides to solve the limitations of materials and engineering techniques. This review covers the smart designs of structural materials inspired by natural materials and their utility in the construction of flexible devices. First, we summarize structural materials that accommodate mechanical deformations, which is the fundamental requirement for flexible devices to work properly in complex environments. Second, we discuss the functionalities of flexible devices induced by nature-inspired structural materials, including mechanical sensing, energy harvesting, physically interacting, and so on. Finally, we provide a perspective on newly developed structural materials and their potential applications in future flexible devices, as well as frontier strategies for biomimetic functions. These analyses and summaries are valuable for a systematic understanding of structural materials in electronic devices and will serve as inspirations for smart designs in flexible electronics.

Interactive reliability assessment using an integrated reliability data bank

International Nuclear Information System (INIS)

Allan, R.N.; Whitehead, A.M.

1986-01-01

The logical structure, techniques and practical application of a computer-aided technique based on a microcomputer using floppy disc Random Access Files is described. This interactive computational technique is efficient if the reliability prediction program is coupled directly to a relevant source of data to create an integrated reliability assessment/reliability data bank system. (DG)

ZERBERUS - the code for reliability analysis of crack containing structures

International Nuclear Information System (INIS)

Cizelj, L.; Riesch-Oppermann, H.

1992-04-01

Brief description of the First- and Second Order Reliability Methods, being the theoretical background of the code, is given. The code structure is described in detail, with special emphasis to the new application fields. The numerical example investigates failure probability of steam generator tubing affected by stress corrosion cracking. The changes necessary to accommodate this analysis within the ZERBERUS code are explained. Analysis results are compared to different Monte Carlo techniques. (orig./HP) [de

An overview of reliability methods in mechanical and structural design

Science.gov (United States)

Wirsching, P. H.; Ortiz, K.; Lee, S. J.

1987-01-01

An evaluation is made of modern methods of fast probability integration and Monte Carlo treatment for the assessment of structural systems' and components' reliability. Fast probability integration methods are noted to be more efficient than Monte Carlo ones. This is judged to be an important consideration when several point probability estimates must be made in order to construct a distribution function. An example illustrating the relative efficiency of the various methods is included.

Theoretical investigation of the electronic structure of a substituted nickel phthalocyanine

Energy Technology Data Exchange (ETDEWEB)

Kaur, Prabhjot, E-mail: prabhphysics@gmail.com; Sachdeva, Ritika [Department of Physics, Panjab University Chandigarh-160014, Chandigarh (India); Singh, Sukhwinder [Department of Physics, Govt. College for Girls, Ludhiana-141008, Ludhiana (India)

2016-05-23

The optimized geometry and electronic structure of an organic compound nickel phthalocyanine tetrasulfonic acid tetra sodium salt have been investigated using density functional theory. We have also optimized the structure of nickel phthalocyanine tetrasulfonic acid tetra sodium salt in dimethyl sulfoxide to study effects of solvent on the electronic structure and transitions. Experimentally, the electronic transitions have been studied using UV-VIS spectroscopic technique. It is observed that the electronic transitions obtained from the theoretical studies generally agree with the experiment.

Structure of liquid alkali metals as electron-ion plasmas

International Nuclear Information System (INIS)

Chaturvedi, D.K.; Senatore, G.; Tosi, M.P.

1980-08-01

The static structure factor of liquid alkali metals near freezing, and its dependence on temperature and pressure, are evaluated in an electron-ion plasma model from an accurate theoretical determination of the structure factor of the one-component classical plasma and electron-screening theory. Very good agreement is obtained with the available experimental data. (author)

Atomic and electronic structure of exfoliated black phosphorus

Energy Technology Data Exchange (ETDEWEB)

Wu, Ryan J.; Topsakal, Mehmet; Jeong, Jong Seok; Wentzcovitch, Renata M.; Mkhoyan, K. Andre, E-mail: mkhoyan@umn.edu [Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States); Low, Tony; Robbins, Matthew C.; Haratipour, Nazila; Koester, Steven J. [Department of Electrical and Computer Engineering, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

2015-11-15

Black phosphorus, a layered two-dimensional crystal with tunable electronic properties and high hole mobility, is quickly emerging as a promising candidate for future electronic and photonic devices. Although theoretical studies using ab initio calculations have tried to predict its atomic and electronic structure, uncertainty in its fundamental properties due to a lack of clear experimental evidence continues to stymie our full understanding and application of this novel material. In this work, aberration-corrected scanning transmission electron microscopy and ab initio calculations are used to study the crystal structure of few-layer black phosphorus. Directly interpretable annular dark-field images provide a three-dimensional atomic-resolution view of this layered material in which its stacking order and all three lattice parameters can be unambiguously identified. In addition, electron energy-loss spectroscopy (EELS) is used to measure the conduction band density of states of black phosphorus, which agrees well with the results of density functional theory calculations performed for the experimentally determined crystal. Furthermore, experimental EELS measurements of interband transitions and surface plasmon excitations are also consistent with simulated results. Finally, the effects of oxidation on both the atomic and electronic structure of black phosphorus are analyzed to explain observed device degradation. The transformation of black phosphorus into amorphous PO{sub 3} or H{sub 3}PO{sub 3} during oxidation may ultimately be responsible for the degradation of devices exposed to atmosphere over time.

Improved reliability, accuracy and quality in automated NMR structure calculation with ARIA

Energy Technology Data Exchange (ETDEWEB)

Mareuil, Fabien [Institut Pasteur, Cellule d' Informatique pour la Biologie (France); Malliavin, Thérèse E.; Nilges, Michael; Bardiaux, Benjamin, E-mail: bardiaux@pasteur.fr [Institut Pasteur, Unité de Bioinformatique Structurale, CNRS UMR 3528 (France)

2015-08-15

In biological NMR, assignment of NOE cross-peaks and calculation of atomic conformations are critical steps in the determination of reliable high-resolution structures. ARIA is an automated approach that performs NOE assignment and structure calculation in a concomitant manner in an iterative procedure. The log-harmonic shape for distance restraint potential and the Bayesian weighting of distance restraints, recently introduced in ARIA, were shown to significantly improve the quality and the accuracy of determined structures. In this paper, we propose two modifications of the ARIA protocol: (1) the softening of the force field together with adapted hydrogen radii, which is meaningful in the context of the log-harmonic potential with Bayesian weighting, (2) a procedure that automatically adjusts the violation tolerance used in the selection of active restraints, based on the fitting of the structure to the input data sets. The new ARIA protocols were fine-tuned on a set of eight protein targets from the CASD–NMR initiative. As a result, the convergence problems previously observed for some targets was resolved and the obtained structures exhibited better quality. In addition, the new ARIA protocols were applied for the structure calculation of ten new CASD–NMR targets in a blind fashion, i.e. without knowing the actual solution. Even though optimisation of parameters and pre-filtering of unrefined NOE peak lists were necessary for half of the targets, ARIA consistently and reliably determined very precise and highly accurate structures for all cases. In the context of integrative structural biology, an increasing number of experimental methods are used that produce distance data for the determination of 3D structures of macromolecules, stressing the importance of methods that successfully make use of ambiguous and noisy distance data.

Structural and electronic properties of L-amino acids

Science.gov (United States)

Tulip, P. R.; Clark, S. J.

2005-05-01

The structural and electronic properties of four L-amino acids alanine, leucine, isoleucine, and valine have been investigated using density functional theory (DFT) and the generalized gradient approximation. Within the crystals, it is found that the constituent molecules adopt zwitterionic configurations, in agreement with experimental work. Lattice constants are found to be in good agreement with experimentally determined values, although certain discrepancies do exist due to the description of van der Waals interactions. We find that these materials possess wide DFT band gaps in the region of 5 eV, with electrons highly localized to the constituent molecules. It is found that the main mechanisms behind crystal formation are dipolar interactions and hydrogen bonding of a primarily electrostatic character, in agreement with current biochemical understanding of these systems. The electronic structure suggests that the amine and carboxy functional groups are dominant in determining band structure.

Reliability Analysis-Based Numerical Calculation of Metal Structure of Bridge Crane

Directory of Open Access Journals (Sweden)

Wenjun Meng

2013-01-01

Full Text Available The study introduced a finite element model of DQ75t-28m bridge crane metal structure and made finite element static analysis to obtain the stress response of the dangerous point of metal structure in the most extreme condition. The simulated samples of the random variable and the stress of the dangerous point were successfully obtained through the orthogonal design. Then, we utilized BP neural network nonlinear mapping function trains to get the explicit expression of stress in response to the random variable. Combined with random perturbation theory and first-order second-moment (FOSM method, the study analyzed the reliability and its sensitivity of metal structure. In conclusion, we established a novel method for accurately quantitative analysis and design of bridge crane metal structure.

On the applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Lara-Curzio, Edgar [ORNL; Radovic, Miladin [Texas A& M University; Luttrell, Claire R [ORNL

2016-01-01

The applicability of probabilistic analyses to assess the structural reliability of materials and components for solid-oxide fuel cells (SOFC) is investigated by measuring the failure rate of Ni-YSZ when subjected to a temperature gradient and comparing it with that predicted using the Ceramics Analysis and Reliability Evaluation of Structures (CARES) code. The use of a temperature gradient to induce stresses was chosen because temperature gradients resulting from gas flow patterns generate stresses during SOFC operation that are the likely to control the structural reliability of cell components The magnitude of the predicted failure rate was found to be comparable to that determined experimentally, which suggests that such probabilistic analyses are appropriate for predicting the structural reliability of materials and components for SOFCs. Considerations for performing more comprehensive studies are discussed.

Studies on electronic structure of GaN(0001) surface

CERN Document Server

Xie Chang Kun; Xu Fa Qiang; Deng Rui; Liu Feng; Yibulaxin, K

2002-01-01

An electronic structure investigation on GaN(0001) is reported. The authors employ a full-potential linearized augmented plane-wave (FPLAPW) approach to calculate the partial density of state, which is in agreement with previous experimental results. The effects of the Ga3d semi-core levels on the electronic structure of GaN are discussed. The valence-electronic structure of the wurtzite GaN(0001) surface is investigated using synchrotron radiation excited angle-resolved photoemission spectroscopy. The bulk bands dispersion along GAMMA A direction in the Brillouin zones is measured using normal-emission spectra by changing photon-energy. The band structure derived from authors' experimental data is compared well with the results of authors' FPLAPW calculation. Furthermore, off-normal emission spectra are also measured along the GAMMA K and GAMMA M directions. Two surface states are identified, and their dispersions are characterized

Electronic structures and magnetic/optical properties of metal phthalocyanine complexes

Energy Technology Data Exchange (ETDEWEB)

Baba, Shintaro; Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.jp; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture. 2500 Hassaka, Hikone, Shiga 522-8533 (Japan)

2016-02-01

Electronic structures and magnetic / optical properties of metal phthalocyanine complexes were studied by quantum calculations using density functional theory. Effects of central metal and expansion of π orbital on aromatic ring as conjugation system on the electronic structures, magnetic, optical properties and vibration modes of infrared and Raman spectra of metal phthalocyanines were investigated. Electron and charge density distribution and energy levels near frontier orbital and excited states were influenced by the deformed structures varied with central metal and charge. The magnetic parameters of chemical shifts in {sup 13}C-nuclear magnetic resonance ({sup 13}C-NMR), principle g-tensor, A-tensor, V-tensor of electric field gradient and asymmetry parameters derived from the deformed structures with magnetic interaction of nuclear quadruple interaction based on electron and charge density distribution with a bias of charge near ligand under crystal field.

Electron-beam induced structural and function change of microbial peroxiredoxin

Energy Technology Data Exchange (ETDEWEB)

Hong, S. H.; An, B. C.; Lee, S. S.; Lee, E. M.; Chung, B. Y. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-03-15

Pseudomonas aerogenes peroxiredoxin (PaPrx) has dual functions acting as thioredoxin (Trx)-dependent peroxidase and molecular chaperone. The function of PaPrx is controlled by its structural status. In this study, we examined the effect of electron beam on structural modification related to chaperone activity. When irradiated electron beam at 1 kGy, the structural and functional changes of PaPrx were initiated. The enhanced chaperone activity was increased about 3- 40 4-fold at 2 kGy compared with non-irradiated, while the peroxidase activity was decreased. We also investigated the influence of the electron beam on protein physical property factors such as hydrophobicity and secondary structure. The exposure of hydrophobic domains reached a peak at 2 kGy of electron beam and then dose-dependently decreased with increasing electron beam irradiation. In addition, the electron beam irradiated PaPrx significantly increased exposure of {beta}-sheet and random coil elements on the protein surface whereas exposure of {alpha}-helix and turn elements was decreased. Our results suggest that highly enhanced chaperone activity could be applied to use in bio-engineering system and various industrial applications.

Electron-beam induced structural and function change of microbial peroxiredoxin

International Nuclear Information System (INIS)

Hong, S. H.; An, B. C.; Lee, S. S.; Lee, E. M.; Chung, B. Y.

2012-01-01

Pseudomonas aerogenes peroxiredoxin (PaPrx) has dual functions acting as thioredoxin (Trx)-dependent peroxidase and molecular chaperone. The function of PaPrx is controlled by its structural status. In this study, we examined the effect of electron beam on structural modification related to chaperone activity. When irradiated electron beam at 1 kGy, the structural and functional changes of PaPrx were initiated. The enhanced chaperone activity was increased about 3- 40 4-fold at 2 kGy compared with non-irradiated, while the peroxidase activity was decreased. We also investigated the influence of the electron beam on protein physical property factors such as hydrophobicity and secondary structure. The exposure of hydrophobic domains reached a peak at 2 kGy of electron beam and then dose-dependently decreased with increasing electron beam irradiation. In addition, the electron beam irradiated PaPrx significantly increased exposure of β-sheet and random coil elements on the protein surface whereas exposure of α-helix and turn elements was decreased. Our results suggest that highly enhanced chaperone activity could be applied to use in bio-engineering system and various industrial applications

Structural studies of glasses by transmission electron microscopy and electron diffraction

International Nuclear Information System (INIS)

Kashchieva, E.P.

1997-01-01

The purpose of this work is to present information about the applications of transmission electron microscopy (TEM) and electron diffraction (ED) for structural investigations of glasses. TEM investigations have been carried out on some binary and on a large number of ternary borate-telluride systems where glass-forming oxides, oxides of transitional elements and modified oxides of elements from I, II and III groups in the periodic table, are used as third component. The large experimental data given by TEM method allows the fine classification of the micro-heterogeneities. A special case of micro-heterogeneous structure with technological origin occurs near the boundary between the 2 immiscible liquids obtained at macro-phase separation. TEM was also used for the direct observation of the glass structure and we have studied the nano-scale structure of borate glasses obtained at slow and fast cooling of the melts. The ED possesses advantages for analysis of amorphous thin films or micro-pastilles and it is a very useful technique for study in materials containing simultaneously light and heavy elements. A comparison between the possibilities of the 3 diffraction techniques (X-ray diffraction, neutron diffraction and ED) is presented

Investigation of Reliabilities of Bolt Distances for Bolted Structural Steel Connections by Monte Carlo Simulation Method

Directory of Open Access Journals (Sweden)

Ertekin Öztekin Öztekin

2015-12-01

Full Text Available Design of the distance of bolts to each other and design of the distance of bolts to the edge of connection plates are made based on minimum and maximum boundary values proposed by structural codes. In this study, reliabilities of those distances were investigated. For this purpose, loading types, bolt types and plate thicknesses were taken as variable parameters. Monte Carlo Simulation (MCS method was used in the reliability computations performed for all combination of those parameters. At the end of study, all reliability index values for all those distances were presented in graphics and tables. Results obtained from this study compared with the values proposed by some structural codes and finally some evaluations were made about those comparisons. Finally, It was emphasized in the end of study that, it would be incorrect of the usage of the same bolt distances in the both traditional designs and the higher reliability level designs.

Electronic Structure of GdCuGe Intermetallic Compound

Science.gov (United States)

Lukoyanov, A. V.; Knyazev, Yu. V.; Kuz'min, Yu. I.

2018-04-01

The electronic structure of GdCuGe intermetallic compound has been studied. Spin-polarized energy spectrum calculations have been performed by the band method with allowance for strong electron correlations in the 4 f-shell of gadolinium ions. Antiferromagnetic ordering of GdCuGe at low temperatures has been obtained in a theoretical calculation, with the value of the effective magnetic moment of gadolinium ions reproduced in fair agreement with experimental data. The electronic density of states has been analyzed. An optical conductivity spectrum has been calculated for GdCuGe; it reveals specific features that are analogous to the ones discovered previously in the GdCuSi compound with a similar hexagonal structure.

New Insight into Carbon Nanotube Electronic Structure Selectivity

Energy Technology Data Exchange (ETDEWEB)

Sumpter, Bobby G [ORNL; Meunier, Vincent [ORNL; Jiang, Deen [ORNL

2009-01-01

The fundamental role of aryl diazonium salts for post synthesis selectivity of carbon nanotubes is investigated using extensive electronic structure calculations. The resulting understanding for diazonium salt based selective separation of conducting and semiconducting carbon nanotubes shows how the primary contributions come from the interplay between the intrinsic electronic structure of the carbon nanotubes and that of the anion of the salt. We demonstrate how the electronic transport properties change upon the formation of charge transfer complexes and upon their conversion into covalently attached functional groups. Our results are found to correlate well with experiments and provide for the first time an atomistic description for diazonium salt based chemical separation of carbon nanotubes

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

Electron confinement in thin metal films. Structure, morphology and interactions

Energy Technology Data Exchange (ETDEWEB)

Dil, J.H.

2006-05-15

This thesis investigates the interplay between reduced dimensionality, electronic structure, and interface effects in ultrathin metal layers (Pb, In, Al) on a variety of substrates (Si, Cu, graphite). These layers can be grown with such a perfection that electron confinement in the direction normal to the film leads to the occurrence of quantum well states in their valence bands. These quantum well states are studied in detail, and their behaviour with film thickness, on different substrates, and other parameters of growth are used here to characterise a variety of physical properties of such nanoscale systems. The sections of the thesis deal with a determination of quantum well state energies for a large data set on different systems, the interplay between film morphology and electronic structure, and the influence of substrate electronic structure on their band shape; finally, new ground is broken by demonstrating electron localization and correlation effects, and the possibility to measure the influence of electron-phonon coupling in bulk bands. (orig.)

Electronic Structure of Strongly Correlated Materials

CERN Document Server

Anisimov, Vladimir

2010-01-01

Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.

Structural reliability analysis under evidence theory using the active learning kriging model

Science.gov (United States)

Yang, Xufeng; Liu, Yongshou; Ma, Panke

2017-11-01

Structural reliability analysis under evidence theory is investigated. It is rigorously proved that a surrogate model providing only correct sign prediction of the performance function can meet the accuracy requirement of evidence-theory-based reliability analysis. Accordingly, a method based on the active learning kriging model which only correctly predicts the sign of the performance function is proposed. Interval Monte Carlo simulation and a modified optimization method based on Karush-Kuhn-Tucker conditions are introduced to make the method more efficient in estimating the bounds of failure probability based on the kriging model. Four examples are investigated to demonstrate the efficiency and accuracy of the proposed method.

Electronic structure and electron-phonon coupling in layered copper oxide superconductors

International Nuclear Information System (INIS)

Pickett, W.E.; Cohen, R.E.; Krakauer, H.

1991-01-01

Experimental data on the layered Cu-O superconductors seem more and more to reflect normal Fermi-liquid behavior and substantial correspondence with band structure predictions. Recent self-consistent, microscopic band theoretic calculations of the electronic structure, lattice instabilities, phonon frequencies, and electron-phonon coupling characteristics and strength for La 2 CuO 4 and YBa 2 Cu 3 O 7 are reviewed. A dominant feature of the coupling is a novel Madelung-like contribution which would be screened out in high density of states superconductors but survives in cuprates because of weak screening. Local density functional theory correctly predicts the instability of (La, Ba) 2 CuO 4 to both the low-temperature orthorhombic phase (below room temperature) and the lower-temperature tetragonal phase (below 50 K). (orig.)

Electronic structure of PPP@ZnO from all-electron quasiarticle calculations

Science.gov (United States)

Höffling, Benjamin; Nabok, Dimitri; Draxl, Claudia; Condensed Matter Theory Group, Humboldt University Berlin Team

We investigate the electronic properties of poly(para-phenylene) (PPP) adsorbed on the non-polar (001) surface of rocksalt (rs) ZnO using all-electron density functional theory (DFT) as well as quasiparticle (QP) calculations within the GW approach. A particular focus is put on the electronic band discontinuities at the interface, where we investigate the impact of quantum confinement, molecular polarization, and charge rearrangement. For our prototypical system, PPP@ZnO, we find a type-I heterostructure. Comparison of the band offsets derived from a QP-treatment of the hybrid system with predictions based on mesoscopic methods, like the Shockley-Anderson model or alignment via the electrostatic potential, reveals the inadequacy of these simple approaches for the prediction of the electronic structure of such inorganic/organic heterosystems. Finally, we explore the optical excitations of the interface compared to the features of the pristine components and discuss the methodological implications for the ab-initio treatment of interface electronics.

Reliability, Validity and Factor Structure of Drug Abuse Screening Test

OpenAIRE

Sayed Hadi Sayed Alitabar; Mojtaba Habibi; Maryam Falahatpisheh; Musa Arvin

2016-01-01

Background and Objective: According to the increasing of substance use in the country, more researches about this phenomenon are necessary. This Study Investigates the Validity, Reliability and Confirmatory Factor Structure of the Drug Abuse Screening test (DAST). Materials and Methods: The Sample Consisted of 381 Patients (143 Women and 238 Men) with a Multi-Stage Cluster Sampling of Areas 2, 6 and 12 of Tehran Were Selected from Each Region, 6 Randomly Selected Drug Rehabilitation Center. T...

All-electron study of ultra-incompressible superhard material ReB2: structural and electronic properties

International Nuclear Information System (INIS)

Yan-Ling, Li; Guo-Hua, Zhong; Zhi, Zeng

2009-01-01

This paper investigates the structural and electronic properties of rhenium diboride by first-principles calculation based on density functional theory. The obtained results show that the calculated equilibrium structural parameters of ReB 2 are in excellent agreement with experimental values. The calculated bulk modulus is 361 GPa in comparison with that of the experiment. The compressibility of ReB 2 is lower than that of well-known OsB 2 . The anisotropy of the bulk modulus is confirmed by c/a ratio as a function of pressure curve and the bulk modulus along different axes along with the electron density distribution. The high bulk modulus is attributed to the strong covalent bond between Re-d and B-p orbitals and the wider pseudogap near the Fermi level, which could be deduced from both electron charge density distribution and density of states. The band structure and density of states of ReB 2 exhibit that this material presents metallic behavior. The good metallicity and ultra-incompressibility of ReB 2 might suggest its potential application as pressure-proof conductors. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

Electronic Structures of LNA Phosphorothioate Oligonucleotides

Directory of Open Access Journals (Sweden)

Henrik G. Bohr

2017-09-01

Full Text Available Important oligonucleotides in anti-sense research have been investigated in silico and experimentally. This involves quantum mechanical (QM calculations and chromatography experiments on locked nucleic acid (LNA phosphorothioate (PS oligonucleotides. iso-potential electrostatic surfaces are essential in this study and have been calculated from the wave functions derived from the QM calculations that provide binding information and other properties of these molecules. The QM calculations give details of the electronic structures in terms of e.g., energy and bonding, which make them distinguish or differentiate between the individual PS diastereoisomers determined by the position of sulfur atoms. Rules are derived from the electronic calculations of these molecules and include the effects of the phosphorothioate chirality and formation of electrostatic potential surfaces. Physical and electrochemical descriptors of the PS oligonucleotides are compared to the experiments in which chiral states on these molecules can be distinguished. The calculations demonstrate that electronic structure, electrostatic potential, and topology are highly sensitive to single PS configuration changes and can give a lead to understanding the activity of the molecules. Keywords: LNA phosphorothioate, DNA/LNA oligonucleotide, diastereoisomers, Hartree-Fock calculations, iso-potential surface, anion chromatograms

Advanced understanding on electronic structure of molecular semiconductors and their interfaces

Science.gov (United States)

Akaike, Kouki

2018-03-01

Understanding the electronic structure of organic semiconductors and their interfaces is critical to optimizing functionalities for electronics applications, by rational chemical design and appropriate combination of device constituents. The unique electronic structure of a molecular solid is characterized as (i) anisotropic electrostatic fields that originate from molecular quadrupoles, (ii) interfacial energy-level lineup governed by simple electrostatics, and (iii) weak intermolecular interactions that make not only structural order but also energy distributions of the frontier orbitals sensitive to atmosphere and interface growth. This article shows an overview on these features with reference to the improved understanding of the orientation-dependent electronic structure, comprehensive mechanisms of molecular doping, and energy-level alignment. Furthermore, the engineering of ionization energy by the control of the electrostatic fields and work function of practical electrodes by contact-induced doping is briefly described for the purpose of highlighting how the electronic structure impacts the performance of organic devices.

Electron affinities, molecular structures, and thermochemistry of the fluorine, chlorine and bromine substituted methyl radicals

Science.gov (United States)

Li, Qian-Shu; Zhao, Jun-Fang; Xie, Yaoming; Schaefer, Henry F., III

Four independent density functional theory (DFT) methods have been employed to study the structures and electron affinities of the methyl and F-, Cl- and Br-substituted methyl radicals and their anions. The methods used have been carefully calibrated against a comprehensive tabulation of experimental electron affinities (Chemical Reviews, 2002, 102, 231). The first dissociation energies together with the vibrational frequencies of these species are also reported. The basis sets used in this work are of double- ζ plus polarization quality with additional s- and p-type diffuse functions, labelled as DZP++. Previously observed trends in the prediction of bond lengths by the DFT methods are also demonstrated for the F-, Cl- and Br-substituted methyl radicals and their anions. Generally, the Hartree-Fock/DFT hybrid methods predict shorter and more reliable bond lengths than the pure DFT methods. Neutral-anion energy differences reported in this work are the adiabatic electron affinity (EAad), the vertical electron affinity (EAvert), and the vertical detachment energy (VDE). Compared with the available experimental electron affinities, the BHLYP method predicts much lower values, while the other methods predict values (EAad, EAvert, VDE) close to each other and almost within the experimental range. For those systems without reliable experimental measurements, our best adiabatic EAs predicted by BLYP are 0.78 (CHF2), 1.23 (CHFCl), 1.44 (CHFBr), 1.61 (CHClBr), 2.24 (CF2Cl), 2.42 (CF2Br), 2.56 (CFBr2), 2.36 (CCl2Br), 2.46 (CClBr2), and 2.44 eV (CFClBr). The most striking feature of these predictions is that they display an inverse relationship between halogen electronegativity and EA. The DZP++ B3LYP method determines the vibrational frequencies in best agreement with available experimental results for this series, with an average relative error of ~2%. The value of using a variety of DFT methods is observed in that BHLYP does best for geometries, BLYP for electron

Electronic structures near surfaces of perovskite type oxides

International Nuclear Information System (INIS)

Hara, Toru

2005-01-01

This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

Modification of electronic structure, magnetic structure, and topological phase of bismuthene by point defects

Science.gov (United States)

Kadioglu, Yelda; Kilic, Sevket Berkay; Demirci, Salih; Aktürk, O. Üzengi; Aktürk, Ethem; Ciraci, Salim

2017-12-01

This paper reveals how the electronic structure, magnetic structure, and topological phase of two-dimensional (2D), single-layer structures of bismuth are modified by point defects. We first showed that a free-standing, single-layer, hexagonal structure of bismuth, named h-bismuthene, exhibits nontrivial band topology. We then investigated interactions between single foreign adatoms and bismuthene structures, which comprise stability, bonding, electronic structure, and magnetic structures. Localized states in diverse locations of the band gap and resonant states in band continua of bismuthene are induced upon the adsorption of different adatoms, which modify electronic and magnetic properties. Specific adatoms result in reconstruction around the adsorption site. Single vacancies and divacancies can form readily in bismuthene structures and remain stable at high temperatures. Through rebondings, Stone-Whales-type defects are constructed by divacancies, which transform into a large hole at high temperature. Like adsorbed adatoms, vacancies induce also localized gap states, which can be eliminated through rebondings in divacancies. We also showed that not only the optical and magnetic properties, but also the topological features of pristine h-bismuthene can be modified by point defects. The modification of the topological features depends on the energies of localized states and also on the strength of coupling between point defects.

Electron transport in nanometer GaAs structure under radiation exposure

CERN Document Server

Demarina, N V

2002-01-01

One investigates into effect of neutron and proton irradiation on electron transport in nanometer GaAs structures. Mathematical model takes account of radiation defects via introduction of additional mechanisms od scattering of carriers at point defects and disordered regions. To investigate experimentally into volt-ampere and volt-farad characteristics one used a structure based on a field-effect transistor with the Schottky gate and a built-in channel. Calculation results of electron mobility, drift rate of electrons, time of energy relaxation and electron pulse are compared with the experimental data

Photoelectron spectra and electronic structure of some spiroborate complexes

Energy Technology Data Exchange (ETDEWEB)

Vovna, V.I.; Tikhonov, S.A.; Lvov, I.B., E-mail: lvov.ib@dvfu.ru; Osmushko, I.S.; Svistunova, I.V.; Shcheka, O.L.

2014-12-15

Highlights: • The electronic structure of three spiroborate complexes—boron 1,2-dioxyphenylene β-diketonates has been investigated. • UV and X-ray photoelectron spectra have been interpreted. • DFT calculations have been used for interpretation of spectral bands. • The binding energy of nonequivalent carbon and oxygen atoms were measured. • The structure of X-ray photoelectron spectra of the valence electrons is in good agreement with the energies and composition of Kohn–Sham orbitals. - Abstract: The electronic structure of the valence and core levels of three spiroborate complexes – boron 1,2-dioxyphenylene β-diketonates – has been investigated by methods of UV and X-ray photoelectron spectroscopy and quantum chemical density functional theory. The ionization energy of π- and n-orbitals of the dioxyphenylene fragment and β-diketonate ligand were measured from UV photoelectron spectra. This made it possible to determine the effect of substitution of one or two methyl groups by the phenyl in diketone on the electronic structure of complexes. The binding energy of nonequivalent carbon and oxygen atoms were measured from X-ray photoelectron spectra. The results of calculations of the energy of the valence orbitals of complexes allowed us to refer bands observed in the spectra of the valence electrons to the 2s-type levels of carbon and oxygen.

Electronic structure of nitrides PuN and UN

Science.gov (United States)

Lukoyanov, A. V.; Anisimov, V. I.

2016-11-01

The electronic structure of uranium and plutonium nitrides in ambient conditions and under pressure is investigated using the LDA + U + SO band method taking into account the spin-orbit coupling and the strong correlations of 5 f electrons of actinoid ions. The parameters of these interactions for the equilibrium cubic structure are calculated additionally. The application of pressure reduces the magnetic moment in PuN due to predominance of the f 6 configuration and the jj-type coupling. An increase in the occupancy of the 5 f state in UN leads to a decrease in the magnetic moment, which is also detected in the trigonal structure of the UN x β phase (La2O3-type structure). The theoretical results are in good agreement with the available experimental data.

Structural changes induced by electron irradiation

International Nuclear Information System (INIS)

Koike, J.; Pedraza, D.F.

1993-01-01

Highly oriented pyrolytic graphite was irradiated at room temperature with 300 kV electrons. Transmission electron microscopy and electron energy loss spectroscopy were employed to study the structural changes produced by irradiation. The occurrence of a continuous ring intensity in the selected area diffraction (SAD) pattern obtained on a specimen irradiated with the electron beam parallel to the c-crystallographic axis indicated that microstructural changes had occurred. However, from the SAD pattern obtained for the specimens tilted relative to the irradiation direction, it was found that up to a fluence of 1.1x10 27 e/m 2 graphite remained crystalline. An SAD pattern of a specimen irradiated with the electron beam perpendicular to the c-axis confirmed the persistence of crystalline order. High resolution electron microscopy showed that ordering along the c-axis direction remained. A density reduction of 8.9% due to irradiation was determined from the plasmon frequency shift. A qualitative model is proposed to explain these observations. A new determination of the threshold displacement energy, Ed, of carbon atoms in graphite was done by examining the appearance of a continuous ring in the SAD pattern at various electron energies. A value of 30 eV was obtained whether the incident electron beam was parallel or perpendicular to the c-axis, demonstrating that Ed is independent of the displacement direction

Electronic structure and formation energy of a vacancy in aluminum

International Nuclear Information System (INIS)

Chakraborty, B.; Siegel, R.W.

1981-11-01

The electronic structure of a vacancy in Al was calculated self-consistently using norm-conserving ionic pseudopotentials obtained from ab initio atomic calculations. A 27-atom-site supercell containing 1 vacancy and 26 atoms was used to simulate the environment of the vacancy. A vacancy formation energy of 1.5 eV was also calculated (cf. the experimental value of 0.66 eV). The effects of the supercell and the nature of the ionic potential on the resulting electronic structure and formation energy are discussed. Results for the electronic structure of a divacancy are also presented. 3 figures

Sustainability of transport structures - some aspects of the nonlinear reliability assessment

Science.gov (United States)

Pukl, Radomír; Sajdlová, Tereza; Strauss, Alfred; Lehký, David; Novák, Drahomír

2017-09-01

Efficient techniques for both nonlinear numerical analysis of concrete structures and advanced stochastic simulation methods have been combined in order to offer an advanced tool for assessment of realistic behaviour, failure and safety assessment of transport structures. The utilized approach is based on randomization of the non-linear finite element analysis of the structural models. Degradation aspects such as carbonation of concrete can be accounted in order predict durability of the investigated structure and its sustainability. Results can serve as a rational basis for the performance and sustainability assessment based on advanced nonlinear computer analysis of the structures of transport infrastructure such as bridges or tunnels. In the stochastic simulation the input material parameters obtained from material tests including their randomness and uncertainty are represented as random variables or fields. Appropriate identification of material parameters is crucial for the virtual failure modelling of structures and structural elements. Inverse analysis using artificial neural networks and virtual stochastic simulations approach is applied to determine the fracture mechanical parameters of the structural material and its numerical model. Structural response, reliability and sustainability have been investigated on different types of transport structures made from various materials using the above mentioned methodology and tools.

Photoelectron spectroscopy bulk and surface electronic structures

CERN Document Server

Suga, Shigemasa

2014-01-01

Photoelectron spectroscopy is now becoming more and more required to investigate electronic structures of various solid materials in the bulk, on surfaces as well as at buried interfaces. The energy resolution was much improved in the last decade down to 1 meV in the low photon energy region. Now this technique is available from a few eV up to 10 keV by use of lasers, electron cyclotron resonance lamps in addition to synchrotron radiation and X-ray tubes. High resolution angle resolved photoelectron spectroscopy (ARPES) is now widely applied to band mapping of materials. It attracts a wide attention from both fundamental science and material engineering. Studies of the dynamics of excited states are feasible by time of flight spectroscopy with fully utilizing the pulse structures of synchrotron radiation as well as lasers including the free electron lasers (FEL). Spin resolved studies also made dramatic progress by using higher efficiency spin detectors and two dimensional spin detectors. Polarization depend...

Effects of structural modification on reliability of nanoscale nitride HEMTs

Science.gov (United States)

Gaddipati, Vamsi Mohan

AlGaN based nanoscale high-electron-mobility transistors (HEMTs) are the next generation of transistor technology that features the unique combination of higher power, wider bandwidth, low noise, higher efficiency, and temperature/radiation hardness than conventional AlGaAs and Si based technologies. However, as evidenced by recent stress tests, reliability of these devices (characterized by a gradual decrease in the output current/power leading to failure of the device in just tens of hours of operation) remains a major concern. Although, in these tests, physical damages were clearly visible in the device, the root cause and nature of these damages have not yet been fully assessed experimentally. Therefore, a comprehensive theoretical study of the physical mechanisms responsible for degradation of AlGaN HEMTs is essential before these devices are deployed in targeted applications. The main objective of the proposed research is to computationally investigate how degradation of state-of-the-art nanoscale AlGaN HEMTs is governed by an intricate and dynamical coupling of thermo-electromechanical processes at different length (atoms-to-transistor) and time (femtosecondto- hours) scales while operating in high voltage, large mechanical, and high temperature/radiation stresses. This work centers around a novel hypotheses as follows: High voltage applied to AlGaN HEMT causes excessive internal heat dissipation, which triggers gate metal diffusion into the semiconducting barrier layer and structural modifications (defect ii formation) leading to diminished polarization induced charge density and output current. Since the dynamical system to be studied is complex, chaotic (where the evolution rule is guided by atomicity of the underlying material), and involve coupled physical processes, an in-house multiscale simulator (QuADS 3-D) has been employed and augmented, where material parameters are obtained atomistically using firstprinciples, structural relaxation and defect

Reliability Assessment Of Wind Turbines

DEFF Research Database (Denmark)

Sørensen, John Dalsgaard

2014-01-01

Reduction of cost of energy for wind turbines are very important in order to make wind energy competitive compared to other energy sources. Therefore the turbine components should be designed to have sufficient reliability but also not be too costly (and safe). This paper presents models...... for uncertainty modeling and reliability assessment of especially the structural components such as tower, blades, substructure and foundation. But since the function of a wind turbine is highly dependent on many electrical and mechanical components as well as a control system also reliability aspects...... of these components are discussed and it is described how there reliability influences the reliability of the structural components. Two illustrative examples are presented considering uncertainty modeling, reliability assessment and calibration of partial safety factors for structural wind turbine components exposed...

Quasiparticle GW calculations within the GPAW electronic structure code

DEFF Research Database (Denmark)

Hüser, Falco

The GPAW electronic structure code, developed at the physics department at the Technical University of Denmark, is used today by researchers all over the world to model the structural, electronic, optical and chemical properties of materials. They address fundamental questions in material science...... and use their knowledge to design new materials for a vast range of applications. Todays hottest topics are, amongst many others, better materials for energy conversion (e.g. solar cells), energy storage (batteries) and catalysts for the removal of environmentally dangerous exhausts. The mentioned...... properties are to a large extent governed by the physics on the atomic scale, that means pure quantum mechanics. For many decades, Density Functional Theory has been the computational method of choice, since it provides a fairly easy and yet accurate way of determining electronic structures and related...

Test-retest reliability of spatial and temporal gait parameters in children with cerebral palsy as measured by an electronic walkway.

Science.gov (United States)

Sorsdahl, Anne Brit; Moe-Nilssen, Rolf; Strand, Liv Inger

2008-01-01

The purpose of this study was to examine test-retest reliability of seven selected temporal and spatial gait parameters and asymmetry measures in children with cerebral palsy. Seventeen children with CP between 3 and 13 years of age walked at three different speeds across an electronic walkway of 5.2m. The tests were repeated after approximately 25 min. The scores were normalized to a walking speed of 1.1m/s to avoid the confounding effect of gait speed on speed dependent gait parameters. Intraclass correlation coefficients (ICC(1,1) and ICC(3,1)) with 95% confidence intervals, within-subject standard deviation (S(w)) and smallest detectable difference (SDD) were calculated. The relative reliability of cadence, step length, stride length and single stance time was high to excellent (ICC(1,1) between 0.73 and 0.95), while it was poor for step width (ICC(1,1)=0.27 and 0.35). The relative reliability for two calculated asymmetry measures were high for the step length index (ICC(1,1)=0.82) and moderate for the single stance time index (ICC(1,1)=0.49). The absolute reliability values for all gait parameters are reported. Five of seven gait parameters measured by an electronic walkway and normalized to a common walking speed, appear to be highly repeatable in a short-term time span in children with CP who were able to walk without assistive walking devices, provided sufficient cognitive function.

Reliability algorithms applied to reinforced concrete structures durability assessment

Directory of Open Access Journals (Sweden)

C. G. Nogueira

Full Text Available This paper addresses the analysis of probabilistic corrosion time initiation in reinforced concrete structures exposed to ions chloride penetration. Structural durability is an important criterion which must be evaluated in every type of structure, especially when these structures are constructed in aggressive atmospheres. Considering reinforced concrete members, chloride diffusion process is widely used to evaluate the durability. Therefore, at modelling this phenomenon, corrosion of reinforcements can be better estimated and prevented. These processes begin when a threshold level of chlorides concentration is reached at the steel bars of reinforcements. Despite the robustness of several models proposed in the literature, deterministic approaches fail to predict accurately the corrosion time initiation due to the inherently randomness observed in this process. In this regard, the durability can be more realistically represented using probabilistic approaches. A probabilistic analysis of ions chloride penetration is presented in this paper. The ions chloride penetration is simulated using the Fick's second law of diffusion. This law represents the chloride diffusion process, considering time dependent effects. The probability of failure is calculated using Monte Carlo simulation and the First Order Reliability Method (FORM with a direct coupling approach. Some examples are considered in order to study these phenomena and a simplified method is proposed to determine optimal values for concrete cover.

Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

Science.gov (United States)

Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

Structure and electron-ion correlation in liquid Mg

Energy Technology Data Exchange (ETDEWEB)

Tahara, Shuta [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Fujii, Hiroyuki [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Yokota, Yukinobu [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Kawakita, Yukinobu [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Kohara, Shinji [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Takeda, Shin' ichi [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan)]. E-mail: takeda@rc.kyushu-u.ac.jp

2006-11-15

For liquid Mg at 700 deg. C, structure factors were obtained from both neutron and X-ray diffraction measurements. The bond angle and coordination number distributions were derived from the reverse Monte Carlo analysis. By a combination of both structure factors, charge density function and electron-ion partial structure factor were deduced.

Crystal structure, electrical properties and electronic band structure of tantalum ditelluride

CERN Document Server

Vernes, A; Bensch, W; Heid, W; Naether, C

1998-01-01

Motivated by the unexpectedly strong influence of the Te atoms on the structural and bonding properties of the transition metal tellurides, we have performed a detailed study of TaTe sub 2. Experimentally, this comprises a crystal structure determination as well as electrical resistivity measurements. The former analysis leads to an accurate update of the structural data reported in the 1960s, while the latter provides evidence for the mainly electronic character of scattering processes leading to the electrical conductivity. In addition, the electronic properties of TaTe sub 2 have been calculated using the TB-LMTO method. The partial density of states reflects the close connection of the Ta zigzag chains and the Te-Te network. This finding explains the charge transfer in the system in a rather simple way. The orthogonal-orbital character of the bands proved the existence of pi-bonds. The Fermi-surface study supports the interpretation of the experimental resistivity measurements. (author)

Multidisciplinary System Reliability Analysis

Science.gov (United States)

Mahadevan, Sankaran; Han, Song; Chamis, Christos C. (Technical Monitor)

2001-01-01

The objective of this study is to develop a new methodology for estimating the reliability of engineering systems that encompass multiple disciplines. The methodology is formulated in the context of the NESSUS probabilistic structural analysis code, developed under the leadership of NASA Glenn Research Center. The NESSUS code has been successfully applied to the reliability estimation of a variety of structural engineering systems. This study examines whether the features of NESSUS could be used to investigate the reliability of systems in other disciplines such as heat transfer, fluid mechanics, electrical circuits etc., without considerable programming effort specific to each discipline. In this study, the mechanical equivalence between system behavior models in different disciplines are investigated to achieve this objective. A new methodology is presented for the analysis of heat transfer, fluid flow, and electrical circuit problems using the structural analysis routines within NESSUS, by utilizing the equivalence between the computational quantities in different disciplines. This technique is integrated with the fast probability integration and system reliability techniques within the NESSUS code, to successfully compute the system reliability of multidisciplinary systems. Traditional as well as progressive failure analysis methods for system reliability estimation are demonstrated, through a numerical example of a heat exchanger system involving failure modes in structural, heat transfer and fluid flow disciplines.

Reliability-based assessment of deteriorating ship-shaped offshore structures

Energy Technology Data Exchange (ETDEWEB)

Ayala-Uraga, Efren

2009-11-15

components rises accordingly. Therefore, it is indispensable for FPSO operators to assess the safety of existing vessels with proper consideration of the uncertainties involved. The aim of this dissertation is to discuss the safety assessment of an existing shipshaped offshore structure subjected to deterioration, where the interaction among different deteriorating phenomena such as fatigue, corrosion and fracture, are explicitly accounted for in a systematic and consistent manner. The format of this thesis report consists of an extended summary intended to emphasize the main contributions achieved and the relevant issues dealt with during this research work, which resulted in the production of three articles that have already been published, annexed at the end of the report. The first article, referred to as Article 1 throughout this report, was published in the International Journal of Fatigue (2007). This article deals with the treatment of uncertainties related to the fatigue crack growth of surface cracks on plated connections and compares different reliability-based limit state formulations including a bi-linear crack growth law that is recommended by the British Standard BS-7910 (1999). Calibration of the bi-linear fracture mechanics formulation is performed with respect to design SN curves considering the parameters with largest uncertainties. The second article, Article 2, published in Reliability Engineering and System Safety (2008) describes a procedure based on reliability techniques to assess the safety level on a welded connection of an aging FPSO with respect fatigue failure, taking into account in the crack growth estimation the effect of the vessel being exposed to various climate conditions throughout the service life. This means that the fatigue damage accumulated under previous operational conditions of the vessel, e.g. as tanker before conversion, is explicitly accounted for in the failure function. Thus, the uncertainties are also explicitly considered

Electronic structure and isomer shifts of Sn halides

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1988-01-01

The all-electron first-principles Discrete Variational method was employed to study the electronic structure of SnF 4 , SnCl 4 , SnBr 4 and SnI 4 . Values of the electronic density at the Sn nucleus were derived and related to 119 Sn Isomer Shifts to obtain the nuclear constant Δ 2 >. Differences in values of ρ(o) area discussed in terms of the chemical bonding between Sn and halogen atoms. (author) [pt

Examining Electron-Boson Coupling Using Time-Resolved Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Sentef, Michael; Kemper, Alexander F.; Moritz, Brian; Freericks, James K.; Shen, Zhi-Xun; Devereaux, Thomas P.

2013-12-26

Nonequilibrium pump-probe time-domain spectroscopies can become an important tool to disentangle degrees of freedom whose coupling leads to broad structures in the frequency domain. Here, using the time-resolved solution of a model photoexcited electron-phonon system, we show that the relaxational dynamics are directly governed by the equilibrium self-energy so that the phonon frequency sets a window for “slow” versus “fast” recovery. The overall temporal structure of this relaxation spectroscopy allows for a reliable and quantitative extraction of the electron-phonon coupling strength without requiring an effective temperature model or making strong assumptions about the underlying bare electronic band dispersion.

Electronic structure of spin systems

Energy Technology Data Exchange (ETDEWEB)

Saha-Dasgupta, Tanusri

2016-04-15

Highlights: • We review the theoretical modeling of quantum spin systems. • We apply the Nth order muffin-tin orbital electronic structure method. • The method shows the importance of chemistry in the modeling. • CuTe{sub 2}O{sub 5} showed a 2-dimensional coupled spin dimer behavior. • Ti substituted Zn{sub 2}VO(PO{sub 4}){sub 2} showed spin gap behavior. - Abstract: Low-dimensional quantum spin systems, characterized by their unconventional magnetic properties, have attracted much attention. Synthesis of materials appropriate to various classes within these systems has made this field very attractive and a site of many activities. The experimental results like susceptibility data are fitted with the theoretical model to derive the underlying spin Hamiltonian. However, often such a fitting procedure which requires correct guess of the assumed spin Hamiltonian leads to ambiguity in deciding the representative model. In this review article, we will describe how electronic structure calculation within the framework of Nth order muffin-tin orbital (NMTO) based Wannier function technique can be utilized to identify the underlying spin model for a large number of such compounds. We will show examples from compounds belonging to vanadates and cuprates.

Electronic structure of Fe-based superconductors

Indian Academy of Sciences (India)

Abstract. Fe-based superconductors have drawn much attention during the last decade due to the presence of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity and magnetism. Extensive study of the electronic structure of these systems suggested the dominant ...

Reliability-Based Code Calibration

DEFF Research Database (Denmark)

Faber, M.H.; Sørensen, John Dalsgaard

2003-01-01

The present paper addresses fundamental concepts of reliability based code calibration. First basic principles of structural reliability theory are introduced and it is shown how the results of FORM based reliability analysis may be related to partial safety factors and characteristic values....... Thereafter the code calibration problem is presented in its principal decision theoretical form and it is discussed how acceptable levels of failure probability (or target reliabilities) may be established. Furthermore suggested values for acceptable annual failure probabilities are given for ultimate...... and serviceability limit states. Finally the paper describes the Joint Committee on Structural Safety (JCSS) recommended procedure - CodeCal - for the practical implementation of reliability based code calibration of LRFD based design codes....

Monte Carlo simulation - a powerful tool to support experimental activities in structure reliability

International Nuclear Information System (INIS)

Yuritzinn, T.; Chapuliot, S.; Eid, M.; Masson, R.; Dahl, A.; Moinereau, D.

2003-01-01

Monte-Carlo Simulation (MCS) can have different uses in supporting structure reliability investigations and assessments. In this paper we focus our interest on the use of MCS as a numerical tool to support the fitting of the experimental data related to toughness experiments. (authors)

An OMERACT reliability exercise of inflammatory and structural abnormalities in patients with knee osteoarthritis using ultrasound assessment

DEFF Research Database (Denmark)

Bruyn, George Aw; Naredo, Esperanza; Damjanov, Nemanja

2016-01-01

OBJECTIVE: To assess whether ultrasonography (US) is reliable for the evaluation of inflammatory and structural abnormalities in patients with knee osteoarthritis (OA). METHODS: Thirteen patients with early knee OA were examined by 11 experienced sonographers during 2 days. Dichotomous and semiqu......OBJECTIVE: To assess whether ultrasonography (US) is reliable for the evaluation of inflammatory and structural abnormalities in patients with knee osteoarthritis (OA). METHODS: Thirteen patients with early knee OA were examined by 11 experienced sonographers during 2 days. Dichotomous...

Development of a reliability-analysis method for category I structures

International Nuclear Information System (INIS)

Shinozuka, M.; Kako, T.; Hwang, H.; Reich, M.

1983-01-01

The present paper develops a reliability analysis method for category I nuclear structures, particularly for reinforced concrete containment structures subjected to various load combinations. The loads considered here include dead loads, accidental internal pressure and earthquake ground acceleration. For mathematical tractability, an earthquake occurrence is assumed to be governed by the Poisson arrival law, while its acceleration history is idealized as a Gaussian vector process of finite duration. A vector process consists of three component processes, each with zero mean. The second order statistics of this process are specified by a three-by-three spectral density matrix with a multiplying factor representing the overall intensity of the ground acceleration. With respect to accidental internal pressure, the following assumptions are made: (a) it occurs in accordance with the Poisson law; (b) its intensity and duration are random; and (c) its temporal rise and fall behaviors are such that a quasi-static structural analysis applies. A dead load is considered to be a deterministic constant

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

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.